| 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 | 31.7 | Very low | 71.8 | Confident | 245 Ų | 245 | 116.5 Ų | 116.5 | 100% | 1.207 | 60% | 0.604 | S | S | * | * | 0 | 113.7 | 0 | -67.7 | 175.1 | -168 | 0 | 0 | 104.8 | D3 | M1-D3 PolarHBondContact O-N 2.87Å; M1-D3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 36.3 | Very low | 74.1 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 79% | 0.79 | 56% | 0.558 | S | S | * | * | trans | -64.5 | 110.7 | -177.6 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | V4 | S2-V4 PolarHBondContact O-N 2.89Å; S2-V4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 43.4 | Very low | 75.9 | Confident | 161 Ų | 161 | 105.2 Ų | 105.2 | 86% | 0.861 | 54% | 0.539 | S | S | * | . | trans | -57.7 | 116.1 | 169.3 | -137.9 | -13.8 | 0 | 0 | 0 | 106.4 | M1 S5 | M1-D3 PolarHBondContact O-N 2.87Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-S5 PolarHBondContact O-N 3.12Å | ||
| 4 | V | 47.8 | Very low | 77.5 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 73% | 0.733 | 53% | 0.528 | S | S | * | . | trans | -68.3 | 108.5 | 179.6 | 176.9 | 0 | 0 | 0 | 0 | 105.4 | S2 K6 | S2-V4 PolarHBondContact O-N 2.89Å; S2-V4 VanDerWaalsContact O-N 3.09Å; V4-K6 PolarHBondContact O-N 2.89Å | ||
| 5 | S | 58 | Low | 78.9 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | trans | -45.4 | 114.1 | 172.3 | 174.6 | 0 | 0 | 0 | 0 | 108.7 | D3 T7 E90 I307 | D3-S5 PolarHBondContact O-N 3.12Å; S5-T7 PolarHBondContact O-N 3.13Å; S5-T7 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact OG-OG1 3.5Å; S5-E90 PolarHBondContact OG-OE2 3.04Å; S5-E90 VanDerWaalsContact OG-OE2 3.06Å; S5-I307 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 6 | K | 84.3 | Confident | 80 | Confident | 176 Ų | 176 | 96.7 Ų | 96.7 | 77% | 0.765 | 50% | 0.499 | S | S | * | . | trans | -80.5 | 90 | 175.2 | -75.4 | -176.2 | -177.1 | 174.2 | 0 | 107.5 | V4 | V4-K6 PolarHBondContact O-N 2.89Š| ||
| 7 | T | 96.4 | Very high | 81.1 | Confident | 49 Ų | 49 | 92.9 Ų | 92.9 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | trans | -84 | 117.1 | 175.9 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | S5 E90 Y305 R306 I307 | S5-T7 PolarHBondContact O-N 3.13Å; S5-T7 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact OG-OG1 3.5Å; T7-E90 PolarHBondContact OG1-OE2 3.26Å; T7-Y305 HydrophobicContact CG2-CD1 3.9Å; T7-R306 WeakPolarHBondContact CA-O 3.46Å; T7-I307 HydrophobicContact CG2-CG1 3.8Å | ||
| 8 | E | 97.6 | Very high | 82.1 | Confident | 66 Ų | 66 | 93.8 Ų | 93.8 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.2 | 174.3 | -53.7 | 174.9 | 72 | 0 | 0 | 109.1 | L264 Y305 R306 R309 | E8-L264 HydrophobicContact CB-CD2 4.2Å; E8-Y305 CarbonylContact O-C 3.52Å; E8-Y305 WeakPolarHBondContact O-CA 3.32Å; E8-R306 HydrophobicContact CB-CB 4.2Å; E8-R306 PolarHBondContact N-O 3.11Å; E8-R306 PolarHBondContact O-N 3.26Å; E8-R309 IonicContact OE1-CZ 3.68Å; E8-R309 IonicContact OE1-NH2 3.73Å; E8-R309 PolarHBondContact OE1-NH2 2.99Å; E8-R309 IonicContact OE2-CZ 2.71Å; E8-R309 IonicContact OE2-NE 3.87Å; E8-R309 PolarHBondContact OE2-NE 2.87Å; E8-R309 IonicContact OE2-NH2 3.17Å; E8-R309 PolarHBondContact OE2-NH2 3.15Å |
| 9 | K | 97.7 | Very high | 82.9 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 39% | 0.391 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131 | -178.6 | -179.4 | -179.4 | -176.2 | 169.6 | 0 | 109.7 | E92 F303 V304 Y305 | K9-E92 IonicContact NZ-OE1 2.77Å; K9-E92 PolarHBondContact NZ-OE1 3.22Å; K9-E92 IonicContact NZ-OE2 2.88Å; K9-E92 PolarHBondContact NZ-OE2 2.93Å; K9-F303 HydrophobicContact CD-CD1 4.44Å; K9-F303 VanDerWaalsContact CE-CD1 3.46Å; K9-F303 HydrophobicContact CG-CD1 4.23Å; K9-V304 WeakPolarHBondContact CA-O 3.45Å; K9-Y305 HydrophobicContact CB-CD1 4.29Å; K9-Y305 HydrophobicContact CB-CE1 4.16Å; K9-Y305 HydrophobicContact CD-CE1 3.77Å; K9-Y305 WeakPolarHBondContact CE-OH 3.36Å; K9-Y305 HydrophobicContact CG-CD1 4.33Å; K9-Y305 HydrophobicContact CG-CE1 3.87Å; K9-Y305 PolarHBondContact NZ-OH 3.09Å; K9-Y305 VanDerWaalsContact NZ-OH 3.12Å |
| 10 | F | 98.4 | Very high | 83.7 | Confident | 75 Ų | 75 | 87.9 Ų | 87.9 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.9 | 174.5 | 178 | -82.8 | 0 | 0 | 0 | 110.4 | L12 P262 L264 F303 V304 | F10-L12 HydrophobicContact CD1-CD2 4.16Å; F10-L12 HydrophobicContact CE1-CD2 4.28Å; F10-P262 HydrophobicContact CD1-CB 4.01Å; F10-P262 HydrophobicContact CD1-CG 3.79Å; F10-P262 HydrophobicContact CD2-CB 3.83Å; F10-P262 HydrophobicContact CD2-CG 4.13Å; F10-P262 HydrophobicContact CE1-CB 3.7Å; F10-P262 HydrophobicContact CE1-CG 3.93Å; F10-P262 HydrophobicContact CE2-CB 3.51Å; F10-P262 HydrophobicContact CE2-CG 4.26Å; F10-P262 HydrophobicContact CG-CB 4.08Å; F10-P262 HydrophobicContact CG-CG 3.9Å; F10-P262 HydrophobicContact CZ-CB 3.45Å; F10-P262 VanDerWaalsContact CZ-CB 3.45Å; F10-P262 HydrophobicContact CZ-CG 4.17Å; F10-L264 HydrophobicContact CB-CD1 3.81Å; F10-F303 WeakPolarHBondContact O-CA 3.46Å; F10-V304 HydrophobicContact CB-CG1 3.61Å; F10-V304 HydrophobicContact CD1-CG1 3.99Å; F10-V304 HydrophobicContact CG-CG1 4.23Å; F10-V304 PolarHBondContact N-O 3.01Å; F10-V304 PolarHBondContact O-N 2.93Å |
| 11 | Q | 98.5 | Very high | 84.4 | Confident | 143 Ų | 143 | 83.9 Ų | 83.9 | 67% | 0.668 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.6 | 179.1 | -176.7 | 169.6 | 16 | 0 | 0 | 110 | F303 | Q11-F303 HydrophobicContact CB-CD1 4.2Å; Q11-F303 HydrophobicContact CB-CE1 4.08Å; Q11-F303 HydrophobicContact CG-CD1 4.42Å; Q11-F303 HydrophobicContact CG-CE1 4.04Å |
| 12 | L | 98.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 157.3 | -179.9 | -66.2 | 167.7 | 0 | 0 | 0 | 111 | F10 I63 S204 A206 A301 E302 V304 | F10-L12 HydrophobicContact CD1-CD2 4.16Å; F10-L12 HydrophobicContact CE1-CD2 4.28Å; L12-I63 HydrophobicContact CD1-CD1 4.37Å; L12-I63 HydrophobicContact CD1-CG1 4.02Å; L12-S204 WeakPolarHBondContact CD2-O 3.46Å; L12-A206 HydrophobicContact CD1-CB 3.65Å; L12-A301 WeakPolarHBondContact CB-O 3.48Å; L12-A301 HydrophobicContact CD1-CB 3.75Å; L12-A301 WeakPolarHBondContact CD1-O 3.4Å; L12-E302 PolarHBondContact N-O 3.28Å; L12-V304 HydrophobicContact CD1-CB 4.33Å; L12-V304 HydrophobicContact CD2-CG1 4.28Å; L12-V304 HydrophobicContact CG-CG1 4.47Å |
| 13 | Y | 98.6 | Very high | 90.6 | Very high | 77 Ų | 77 | 71.7 Ų | 71.7 | 30% | 0.302 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -78 | 129.4 | 167.3 | -178.7 | -115.2 | 0 | 0 | 0 | 110 | P15 Y200 K203 S204 L205 | Y13-P15 HydrophobicContact CD1-CG 3.91Å; Y13-P15 HydrophobicContact CE1-CB 4.14Å; Y13-P15 HydrophobicContact CE1-CG 3.64Å; Y13-Y200 HydrophobicContact CD1-CD1 4.28Å; Y13-Y200 HydrophobicContact CD1-CE1 4.47Å; Y13-Y200 AromaticContact CE1-CD1 3.77Å; Y13-Y200 HydrophobicContact CE1-CD1 3.77Å; Y13-Y200 AromaticContact CE1-CE1 3.65Å; Y13-Y200 HydrophobicContact CE1-CE1 3.65Å; Y13-K203 HydrophobicContact CD1-CB 4.13Å; Y13-K203 HydrophobicContact CD1-CD 3.34Å; Y13-K203 HydrophobicContact CD1-CG 4.37Å; Y13-K203 HydrophobicContact CD2-CD 3.74Å; Y13-K203 HydrophobicContact CE1-CD 3.51Å; Y13-K203 HydrophobicContact CE2-CD 3.93Å; Y13-K203 HydrophobicContact CG-CB 4.11Å; Y13-K203 HydrophobicContact CG-CD 3.45Å; Y13-K203 VanDerWaalsContact CG-CD 3.45Å; Y13-K203 HydrophobicContact CG-CG 4.31Å; Y13-K203 PolarHBondContact OH-NZ 3.37Å; Y13-S204 PolarHBondContact N-O 3.19Å; Y13-L205 HydrophobicContact CD1-CD1 4Å; Y13-L205 HydrophobicContact CD1-CD2 4.09Å; Y13-L205 HydrophobicContact CD1-CG 4Å |
| 14 | V | 98.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | trans | -119.7 | 100.2 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | P300 A301 E302 | V14-P300 HydrophobicContact CG1-CB 4.11Å; V14-P300 HydrophobicContact CG1-CG 3.94Å; V14-A301 WeakPolarHBondContact CG2-O 3.42Å; V14-E302 HydrophobicContact CG2-CG 4.42Å | ||
| 15 | P | 97.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | trans | -65.8 | 164.8 | 171 | -9.5 | 22.2 | 0 | 0 | 0 | 111.1 | Y13 L20 Y200 L205 | Y13-P15 HydrophobicContact CD1-CG 3.91Å; Y13-P15 HydrophobicContact CE1-CB 4.14Å; Y13-P15 HydrophobicContact CE1-CG 3.64Å; P15-L20 HydrophobicContact CB-CB 4.31Å; P15-L20 HydrophobicContact CG-CB 4.46Å; P15-L20 HydrophobicContact CG-CD1 4.43Å; P15-L20 HydrophobicContact CG-CD2 4.42Å; P15-Y200 HydrophobicContact CG-CE1 4.31Å; P15-Y200 HydrophobicContact CG-CE2 4.1Å; P15-L205 HydrophobicContact CG-CD2 3.51Å | ||
| 16 | I | 97.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 56% | 0.559 | 31% | 0.307 | S | S | * | . | trans | -63.3 | 144.6 | 166.4 | 66.2 | 172.5 | 0 | 0 | 0 | 109.2 | E18 E19 L20 | I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.23Å; I16-E19 HydrophobicContact CD1-CB 3.96Å; I16-E19 HydrophobicContact CG1-CB 3.35Å; I16-E19 PolarHBondContact O-N 3.3Å; I16-L20 PolarHBondContact O-N 3.21Å | ||
| 17 | L | 98.1 | Very high | 98.3 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | -171.7 | -67.4 | -177 | 0 | 0 | 0 | 112.1 | L20 C21 V39 K173 I175 P300 | L17-L20 PolarHBondContact O-N 3.1Å; L17-C21 PolarHBondContact O-N 3.2Å; L17-C21 PolarHBondContact O-SG 3.43Å; L17-V39 HydrophobicContact CB-CG1 4.48Å; L17-V39 HydrophobicContact CB-CG2 3.62Å; L17-V39 HydrophobicContact CD1-CG1 4.16Å; L17-K173 HydrophobicContact CD1-CB 4.29Å; L17-I175 HydrophobicContact CD2-CD1 4.06Å; L17-I175 HydrophobicContact CD2-CG1 4.06Å; L17-P300 HydrophobicContact CD2-CG 3.67Å |
| 18 | E | 98.3 | Very high | 98.4 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | -179.9 | -65.3 | 74 | -164 | 0 | 0 | 111.6 | I16 L20 C21 D22 V39 | I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.23Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.71Å; E18-C21 WeakPolarHBondContact O-CB 3.33Å; E18-C21 PolarHBondContact O-N 2.89Å; E18-D22 PolarHBondContact O-N 3.11Å; E18-D22 VanDerWaalsContact O-N 3.07Å; E18-V39 HydrophobicContact CG-CG2 4.18Å |
| 19 | E | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.3 | 178.6 | -170.7 | 171.6 | 0 | 0 | 110.7 | I16 C21 D22 V23 Y200 | I16-E19 HydrophobicContact CD1-CB 3.96Å; I16-E19 HydrophobicContact CG1-CB 3.35Å; I16-E19 PolarHBondContact O-N 3.3Å; E19-C21 VanDerWaalsContact C-N 3.32Å; E19-C21 PolarHBondContact O-N 3.28Å; E19-D22 PolarHBondContact O-N 3.04Å; E19-V23 WeakPolarHBondContact O-CG2 3.34Å; E19-V23 PolarHBondContact O-N 3.38Å; E19-Y200 PolarHBondContact OE1-OH 3.28Å |
| 20 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 179.2 | -173.5 | 52.5 | 0 | 0 | 0 | 111.5 | P15 I16 L17 E18 D22 V23 L24 I175 M196 Y200 L207 P300 | P15-L20 HydrophobicContact CB-CB 4.31Å; P15-L20 HydrophobicContact CG-CB 4.46Å; P15-L20 HydrophobicContact CG-CD1 4.43Å; P15-L20 HydrophobicContact CG-CD2 4.42Å; I16-L20 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 3.1Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.71Å; L20-D22 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 3.4Å; L20-L24 HydrophobicContact CD1-CD1 4.14Å; L20-L24 HydrophobicContact CD1-CD2 4.34Å; L20-L24 HydrophobicContact CD1-CG 3.96Å; L20-L24 HydrophobicContact CG-CD1 3.94Å; L20-L24 HydrophobicContact CG-CG 4.24Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 WeakPolarHBondContact O-CG 3.29Å; L20-L24 PolarHBondContact O-N 2.62Å; L20-I175 HydrophobicContact CB-CD1 4.33Å; L20-I175 HydrophobicContact CD2-CD1 3.71Å; L20-I175 HydrophobicContact CG-CD1 3.94Å; L20-M196 HydrophobicContact CD1-CG 4.24Å; L20-M196 HydrophobicContact CD1-SD 4.38Å; L20-Y200 HydrophobicContact CD1-CE2 4.3Å; L20-L207 HydrophobicContact CD2-CD2 4.05Å; L20-P300 HydrophobicContact CD2-CB 4.23Å; L20-P300 HydrophobicContact CD2-CG 4.47Å |
| 21 | C | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.2 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | L17 E18 E19 V23 L24 Q25 V37 C38 V39 | L17-C21 PolarHBondContact O-N 3.2Å; L17-C21 PolarHBondContact O-SG 3.43Å; E18-C21 WeakPolarHBondContact O-CB 3.33Å; E18-C21 PolarHBondContact O-N 2.89Å; E19-C21 VanDerWaalsContact C-N 3.32Å; E19-C21 PolarHBondContact O-N 3.28Å; C21-V23 VanDerWaalsContact C-N 3.32Å; C21-V23 PolarHBondContact O-N 3.15Å; C21-L24 PolarHBondContact O-N 3.47Å; C21-Q25 VanDerWaalsContact O-CB 3.25Å; C21-Q25 WeakPolarHBondContact O-CB 3.35Å; C21-Q25 PolarHBondContact O-N 3.04Å; C21-V37 HydrophobicContact CB-CB 4.42Å; C21-V37 HydrophobicContact CB-CG1 3.92Å; C21-C38 VanDerWaalsContact SG-C 3.54Å; C21-V39 VanDerWaalsContact SG-CG2 3.58Å |
| 22 | D | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 49.5 Ų | 49.5 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 178.7 | -75.9 | -22 | 0 | 0 | 0 | 112.6 | E18 E19 L20 R26 | E18-D22 PolarHBondContact O-N 3.11Å; E18-D22 VanDerWaalsContact O-N 3.07Å; E19-D22 PolarHBondContact O-N 3.04Å; L20-D22 PolarHBondContact O-N 2.96Å; D22-R26 WeakPolarHBondContact O-CG 3.35Å; D22-R26 PolarHBondContact O-N 3.4Å; D22-R26 PolarHBondContact O-NE 3.17Å |
| 23 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -54.5 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | E19 L20 C21 Q25 R26 G27 T195 H199 Y200 | E19-V23 WeakPolarHBondContact O-CG2 3.34Å; E19-V23 PolarHBondContact O-N 3.38Å; L20-V23 PolarHBondContact O-N 3.4Å; C21-V23 VanDerWaalsContact C-N 3.32Å; C21-V23 PolarHBondContact O-N 3.15Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 3.37Å; V23-R26 PolarHBondContact O-N 3.3Å; V23-G27 PolarHBondContact O-N 3.08Å; V23-G27 VanDerWaalsContact O-N 3.17Å; V23-T195 HydrophobicContact CG1-CG2 3.93Å; V23-T195 WeakPolarHBondContact O-CG2 3.44Å; V23-H199 HydrophobicContact CG1-CB 3.61Å; V23-H199 VanDerWaalsContact CG2-CD2 3.4Å; V23-H199 WeakPolarHBondContact CG2-CD2 3.29Å; V23-H199 WeakPolarHBondContact CG2-NE2 3.43Å; V23-Y200 HydrophobicContact CG1-CE2 4.28Å |
| 24 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | -178.5 | -66.3 | 175.9 | 0 | 0 | 0 | 112 | L20 C21 R26 G27 L28 V37 I175 L192 T195 M196 L207 | L20-L24 HydrophobicContact CD1-CD1 4.14Å; L20-L24 HydrophobicContact CD1-CD2 4.34Å; L20-L24 HydrophobicContact CD1-CG 3.96Å; L20-L24 HydrophobicContact CG-CD1 3.94Å; L20-L24 HydrophobicContact CG-CG 4.24Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 WeakPolarHBondContact O-CG 3.29Å; L20-L24 PolarHBondContact O-N 2.62Å; C21-L24 PolarHBondContact O-N 3.47Å; L24-R26 VanDerWaalsContact C-N 3.35Å; L24-R26 PolarHBondContact O-N 3.44Å; L24-G27 PolarHBondContact O-N 2.95Å; L24-L28 WeakPolarHBondContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.87Å; L24-V37 HydrophobicContact CB-CG1 4.26Å; L24-V37 HydrophobicContact CB-CG2 4.23Å; L24-I175 HydrophobicContact CD1-CD1 4.43Å; L24-I175 HydrophobicContact CD1-CG2 4.33Å; L24-L192 HydrophobicContact CB-CD2 4.21Å; L24-L192 HydrophobicContact CD1-CD2 4.19Å; L24-L192 HydrophobicContact CD2-CD2 3.82Å; L24-L192 HydrophobicContact CG-CD2 4.28Å; L24-T195 HydrophobicContact CD2-CG2 4.42Å; L24-M196 HydrophobicContact CD2-CG 3.75Å; L24-M196 HydrophobicContact CD2-SD 4.48Å; L24-L207 HydrophobicContact CD1-CD1 4.04Å |
| 25 | Q | 98.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 178.3 | -173.9 | 171.5 | -103 | 0 | 0 | 112.1 | C21 V23 K29 V37 | C21-Q25 VanDerWaalsContact O-CB 3.25Å; C21-Q25 WeakPolarHBondContact O-CB 3.35Å; C21-Q25 PolarHBondContact O-N 3.04Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 3.37Å; Q25-K29 WeakPolarHBondContact O-CG 3.34Å; Q25-K29 PolarHBondContact O-N 3.17Å; Q25-K29 VanDerWaalsContact O-N 3.17Å; Q25-V37 HydrophobicContact CB-CB 3.96Å; Q25-V37 HydrophobicContact CB-CG2 3.92Å; Q25-V37 VanDerWaalsContact OE1-N 3.11Å |
| 26 | R | 98.4 | Very high | 98.6 | Very high | 147 Ų | 147 | 53.3 Ų | 53.3 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 178.1 | -76.3 | -176.8 | -65.1 | 156.5 | -1.7 | 111.5 | D22 V23 L24 K29 | D22-R26 WeakPolarHBondContact O-CG 3.35Å; D22-R26 PolarHBondContact O-N 3.4Å; D22-R26 PolarHBondContact O-NE 3.17Å; V23-R26 PolarHBondContact O-N 3.3Å; L24-R26 VanDerWaalsContact C-N 3.35Å; L24-R26 PolarHBondContact O-N 3.44Å; R26-K29 PolarHBondContact O-N 3.24Å |
| 27 | G | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V23 L24 K29 N30 T195 | V23-G27 PolarHBondContact O-N 3.08Å; V23-G27 VanDerWaalsContact O-N 3.17Å; L24-G27 PolarHBondContact O-N 2.95Å; G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 2.78Å; G27-N30 WeakPolarHBondContact O-CB 3.32Å; G27-N30 PolarHBondContact O-N 2.85Å; G27-T195 WeakPolarHBondContact CA-OG1 3.29Å |
| 28 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -33.8 | 176.7 | -75.1 | 173.5 | 0 | 0 | 0 | 113 | L24 N30 N31 F32 A35 V37 V177 L188 A191 L192 | L24-L28 WeakPolarHBondContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.87Å; L28-N30 PolarHBondContact O-N 3.41Å; L28-N31 CarbonylContact O-C 3.33Å; L28-N31 PolarHBondContact O-N 3.31Å; L28-F32 HydrophobicContact CD2-CD2 3.87Å; L28-F32 HydrophobicContact CD2-CE2 3.87Å; L28-F32 PolarHBondContact O-N 2.94Å; L28-A35 HydrophobicContact CB-CB 3.68Å; L28-V37 HydrophobicContact CD1-CG2 3.64Å; L28-V177 HydrophobicContact CD1-CG1 3.58Å; L28-L188 HydrophobicContact CD2-CD1 3.94Å; L28-A191 HydrophobicContact CD2-CB 3.87Å; L28-L192 HydrophobicContact CD1-CD2 3.87Å; L28-L192 HydrophobicContact CD2-CD2 4.15Å; L28-L192 HydrophobicContact CD2-CG 4.31Å; L28-L192 HydrophobicContact CG-CD2 4.1Å |
| 29 | K | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 45.3 Ų | 45.3 | 50% | 0.496 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.8 | 176.3 | -77.6 | 179.1 | 178.1 | 178.1 | 0 | 114 | Q25 R26 G27 N31 A35 | Q25-K29 WeakPolarHBondContact O-CG 3.34Å; Q25-K29 PolarHBondContact O-N 3.17Å; Q25-K29 VanDerWaalsContact O-N 3.17Å; R26-K29 PolarHBondContact O-N 3.24Å; G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 2.78Å; K29-N31 VanDerWaalsContact C-N 3.31Å; K29-A35 WeakPolarHBondContact CE-O 3.22Å; K29-A35 HydrophobicContact CG-CB 3.98Å |
| 30 | N | 98.1 | Very high | 98.7 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 68% | 0.679 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.9 | 171.3 | -61.1 | -26.4 | 0 | 0 | 0 | 112.2 | G27 L28 | G27-N30 WeakPolarHBondContact O-CB 3.32Å; G27-N30 PolarHBondContact O-N 2.85Å; L28-N30 PolarHBondContact O-N 3.41Å |
| 31 | N | 98.4 | Very high | 98.7 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -17.3 | -171.5 | -160.7 | 76.6 | 0 | 0 | 0 | 113.6 | L28 K29 R182 I183 G184 E185 E186 A191 | L28-N31 CarbonylContact O-C 3.33Å; L28-N31 PolarHBondContact O-N 3.31Å; K29-N31 VanDerWaalsContact C-N 3.31Å; N31-R182 CarbonylContact O-C 3.37Å; N31-R182 WeakPolarHBondContact O-CA 3.37Å; N31-R182 WeakPolarHBondContact O-CG 3.31Å; N31-I183 WeakPolarHBondContact O-CG1 3.48Å; N31-I183 PolarHBondContact O-N 3.44Å; N31-G184 PolarHBondContact O-N 3Å; N31-G184 VanDerWaalsContact O-N 3.07Å; N31-G184 WeakPolarHBondContact OD1-CA 3.42Å; N31-E185 PolarHBondContact OD1-N 2.99Å; N31-E186 PolarHBondContact ND2-O 2.97Å; N31-E186 WeakPolarHBondContact OD1-CB 3.21Å; N31-E186 PolarHBondContact OD1-N 2.98Å; N31-A191 HydrophobicContact CB-CB 4.25Å |
| 32 | F | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.9 | 179.9 | -66 | -87.3 | 0 | 0 | 0 | 110.7 | L28 D34 A35 A179 R181 R182 L188 A191 Y294 | L28-F32 HydrophobicContact CD2-CD2 3.87Å; L28-F32 HydrophobicContact CD2-CE2 3.87Å; L28-F32 PolarHBondContact O-N 2.94Å; F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 2.8Å; F32-A35 HydrophobicContact CB-CB 4.44Å; F32-A179 HydrophobicContact CB-CB 4.3Å; F32-A179 HydrophobicContact CD1-CB 3.93Å; F32-A179 HydrophobicContact CD2-CB 4.07Å; F32-A179 HydrophobicContact CE1-CB 4.28Å; F32-A179 HydrophobicContact CE2-CB 4.4Å; F32-A179 HydrophobicContact CG-CB 3.83Å; F32-R181 WeakPolarHBondContact CA-O 3.43Å; F32-R182 HydrophobicContact CD1-CB 3.92Å; F32-R182 HydrophobicContact CD1-CG 4.42Å; F32-R182 HydrophobicContact CE1-CB 3.64Å; F32-R182 HydrophobicContact CE1-CG 4.01Å; F32-R182 HydrophobicContact CZ-CB 4.39Å; F32-R182 HydrophobicContact CZ-CG 4.29Å; F32-L188 HydrophobicContact CE2-CD1 4.23Å; F32-L188 HydrophobicContact CZ-CB 4.29Å; F32-L188 HydrophobicContact CZ-CD1 4.31Å; F32-A191 HydrophobicContact CE2-CB 4.28Å; F32-Y294 AromaticContact CE1-CD2 3.94Å; F32-Y294 HydrophobicContact CE1-CD2 3.94Å; F32-Y294 AromaticContact CE1-CE2 3.71Å; F32-Y294 HydrophobicContact CE1-CE2 3.71Å; F32-Y294 HydrophobicContact CZ-CD2 4.36Å; F32-Y294 HydrophobicContact CZ-CE2 4.07Å |
| 33 | A | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 40% | 0.397 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -36.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K180 R181 I183 | A33-K180 PolarHBondContact N-O 2.78Å; A33-R181 HydrophobicContact CB-CB 4.03Å; A33-R181 PolarHBondContact N-O 2.83Å; A33-I183 HydrophobicContact CB-CG2 3.94Å |
| 34 | D | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.7 | 172.7 | -46.2 | -76 | 0 | 0 | 0 | 109.2 | F32 A179 K180 R181 | F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 2.8Å; D34-A179 CarbonylContact O-C 3.6Å; D34-A179 WeakPolarHBondContact O-CA 3.46Å; D34-K180 HydrophobicContact CB-CB 4.19Å; D34-K180 PolarHBondContact N-O 3.16Å; D34-K180 PolarHBondContact O-N 3.04Å; D34-R181 VanDerWaalsContact CG-NH2 3.28Å; D34-R181 IonicContact OD1-NH2 2.68Å; D34-R181 PolarHBondContact OD1-NH2 2.76Å; D34-R181 VanDerWaalsContact OD1-NH2 3.15Å; D34-R181 IonicContact OD2-CZ 3.17Å; D34-R181 IonicContact OD2-NE 3.37Å; D34-R181 PolarHBondContact OD2-NE 3.4Å; D34-R181 IonicContact OD2-NH2 3.35Å; D34-R181 PolarHBondContact OD2-NH2 3.48Å |
| 35 | A | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 49 Ų | 49 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 K29 F32 R178 | L28-A35 HydrophobicContact CB-CB 3.68Å; K29-A35 WeakPolarHBondContact CE-O 3.22Å; K29-A35 HydrophobicContact CG-CB 3.98Å; F32-A35 HydrophobicContact CB-CB 4.44Å; A35-R178 CarbonylContact C-O 3.59Å; A35-R178 WeakPolarHBondContact CA-O 3.38Å |
| 36 | Q | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.7 | 174.5 | -176.5 | 175.4 | 26.3 | 0 | 0 | 109.2 | R178 | Q36-R178 HydrophobicContact CB-CB 4.42Å; Q36-R178 PolarHBondContact N-O 3.14Å; Q36-R178 PolarHBondContact O-N 3.08Å |
| 37 | V | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.1 | 174.4 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | C21 L24 Q25 L28 I175 E176 V177 | C21-V37 HydrophobicContact CB-CB 4.42Å; C21-V37 HydrophobicContact CB-CG1 3.92Å; L24-V37 HydrophobicContact CB-CG1 4.26Å; L24-V37 HydrophobicContact CB-CG2 4.23Å; Q25-V37 HydrophobicContact CB-CB 3.96Å; Q25-V37 HydrophobicContact CB-CG2 3.92Å; Q25-V37 VanDerWaalsContact OE1-N 3.11Å; L28-V37 HydrophobicContact CD1-CG2 3.64Å; V37-I175 HydrophobicContact CG1-CG2 3.4Å; V37-I175 VanDerWaalsContact CG1-CG2 3.4Å; V37-E176 VanDerWaalsContact CA-O 3.28Å; V37-E176 WeakPolarHBondContact CA-O 3.49Å; V37-E176 WeakPolarHBondContact CG1-O 3.31Å; V37-V177 HydrophobicContact CG1-CG2 4.02Å; V37-V177 HydrophobicContact CG2-CG1 4.41Å; V37-V177 HydrophobicContact CG2-CG2 4.27Å |
| 38 | C | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 25% | 0.25 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 160.3 | -178.7 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | C21 E176 | C21-C38 VanDerWaalsContact SG-C 3.54Å; C38-E176 PolarHBondContact N-O 2.86Å; C38-E176 PolarHBondContact O-N 2.9Å |
| 39 | V | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.8 | 171.4 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | L17 E18 C21 K173 V174 | L17-V39 HydrophobicContact CB-CG1 4.48Å; L17-V39 HydrophobicContact CB-CG2 3.62Å; L17-V39 HydrophobicContact CD1-CG1 4.16Å; E18-V39 HydrophobicContact CG-CG2 4.18Å; C21-V39 VanDerWaalsContact SG-CG2 3.58Å; V39-K173 HydrophobicContact CG1-CB 3.8Å; V39-K173 HydrophobicContact CG1-CD 4.2Å; V39-K173 HydrophobicContact CG1-CG 4.2Å; V39-V174 WeakPolarHBondContact CA-O 3.48Å |
| 40 | V | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 165.1 | 179.8 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | K173 V174 E176 Y297 | V40-K173 CarbonylContact O-C 3.53Å; V40-K173 VanDerWaalsContact O-CA 3.25Å; V40-K173 WeakPolarHBondContact O-CA 3.39Å; V40-V174 HydrophobicContact CG2-CG2 3.9Å; V40-V174 PolarHBondContact N-O 3.25Å; V40-V174 PolarHBondContact O-N 3.06Å; V40-E176 HydrophobicContact CB-CB 4.47Å; V40-E176 HydrophobicContact CG1-CB 3.98Å; V40-E176 HydrophobicContact CG2-CB 3.63Å; V40-Y297 HydrophobicContact CG2-CD1 4.45Å; V40-Y297 HydrophobicContact CG2-CE1 4.29Å |
| 41 | D | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 57% | 0.572 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.9 | 161.9 | -66.2 | -54.8 | 0 | 0 | 0 | 109.2 | K173 | D41-K173 WeakPolarHBondContact OD1-CD 3.32Å; D41-K173 VanDerWaalsContact OD1-CE 3.24Å; D41-K173 WeakPolarHBondContact OD1-CE 3.21Å; D41-K173 IonicContact OD1-NZ 3.8Å; D41-K173 PolarHBondContact OD1-NZ 2.8Å; D41-K173 IonicContact OD2-NZ 3.73Å; D41-K173 PolarHBondContact OD2-NZ 3.15Å |
| 42 | C | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 127.6 | 176 | -171 | 0 | 0 | 0 | 0 | 109.2 | G56 G172 V174 | C42-G56 VanDerWaalsContact SG-CA 3.59Å; C42-G172 VanDerWaalsContact CB-O 3.31Å; C42-G172 WeakPolarHBondContact CB-O 3.48Å; C42-G172 PolarHBondContact N-O 3.23Å; C42-V174 HydrophobicContact CB-CB 4.48Å; C42-V174 HydrophobicContact CB-CG1 3.71Å; C42-V174 HydrophobicContact CB-CG2 3.91Å |
| 43 | P | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 158.3 | 171.5 | 31.1 | -37.8 | 0 | 0 | 0 | 109.5 | L45 K55 Y297 | P43-L45 HydrophobicContact CG-CD2 3.94Å; P43-L45 PolarHBondContact O-N 3.41Å; P43-K55 VanDerWaalsContact O-O 3.09Å; P43-Y297 HydrophobicContact CG-CD1 4.3Å; P43-Y297 HydrophobicContact CG-CD2 4.06Å; P43-Y297 HydrophobicContact CG-CE1 3.87Å; P43-Y297 HydrophobicContact CG-CE2 3.61Å; P43-Y297 HydrophobicContact CG-CG 4.38Å; P43-Y297 VanDerWaalsContact CG-CZ 3.5Å |
| 44 | D | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | trans | -68 | 102.1 | 173.9 | -169.3 | -23.2 | 0 | 0 | 0 | 109.8 | T46 Q47 | D44-T46 VanDerWaalsContact CG-OG1 3.26Å; D44-T46 PolarHBondContact O-N 3.31Å; D44-T46 VanDerWaalsContact O-N 3.16Å; D44-T46 VanDerWaalsContact OD1-CB 3.31Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.25Å; D44-T46 PolarHBondContact OD1-N 3.26Å; D44-T46 PolarHBondContact OD1-OG1 3.44Å; D44-T46 PolarHBondContact OD2-OG1 3.48Å; D44-Q47 HydrophobicContact CB-CG 4.06Å; D44-Q47 WeakPolarHBondContact O-CB 3.22Å; D44-Q47 PolarHBondContact O-N 3Å; D44-Q47 VanDerWaalsContact O-N 3.09Å | ||
| 45 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6.4 | -176.7 | -60.5 | -175.7 | 0 | 0 | 0 | 113.7 | P43 Q47 F50 K51 F52 K55 L57 | P43-L45 HydrophobicContact CG-CD2 3.94Å; P43-L45 PolarHBondContact O-N 3.41Å; L45-Q47 PolarHBondContact O-N 2.77Å; L45-F50 HydrophobicContact CB-CB 4.47Å; L45-F50 HydrophobicContact CD2-CB 4.46Å; L45-F50 HydrophobicContact CD2-CD2 3.51Å; L45-F50 HydrophobicContact CD2-CE2 3.81Å; L45-F50 HydrophobicContact CD2-CG 3.94Å; L45-F50 HydrophobicContact CD2-CZ 4.47Å; L45-F50 WeakPolarHBondContact O-CB 3.45Å; L45-K51 PolarHBondContact O-N 2.88Å; L45-F52 HydrophobicContact CB-CB 4.12Å; L45-F52 HydrophobicContact CB-CD2 3.86Å; L45-F52 HydrophobicContact CB-CG 4.22Å; L45-F52 HydrophobicContact CD1-CD2 3.78Å; L45-F52 HydrophobicContact CD1-CE2 4.04Å; L45-F52 HydrophobicContact CG-CD2 4.39Å; L45-F52 WeakPolarHBondContact O-CB 3.47Å; L45-F52 PolarHBondContact O-N 2.87Å; L45-K55 PolarHBondContact N-O 2.97Å; L45-L57 HydrophobicContact CD1-CD1 4.15Å; L45-L57 HydrophobicContact CD1-CD2 3.8Å; L45-L57 HydrophobicContact CD1-CG 3.58Å |
| 46 | T | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 50 Ų | 50 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.9 | 169.8 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | D44 V54 K55 | D44-T46 VanDerWaalsContact CG-OG1 3.26Å; D44-T46 PolarHBondContact O-N 3.31Å; D44-T46 VanDerWaalsContact O-N 3.16Å; D44-T46 VanDerWaalsContact OD1-CB 3.31Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.25Å; D44-T46 PolarHBondContact OD1-N 3.26Å; D44-T46 PolarHBondContact OD1-OG1 3.44Å; D44-T46 PolarHBondContact OD2-OG1 3.48Å; T46-V54 WeakPolarHBondContact CG2-O 3.36Å; T46-V54 PolarHBondContact N-O 2.94Å; T46-K55 HydrophobicContact CG2-CG 3.97Å |
| 47 | Q | 98.7 | Very high | 98.6 | Very high | 114 Ų | 114 | 44.9 Ų | 44.9 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.1 | 170.2 | -177.8 | -56.8 | -56.1 | -61.6 | 0 | 0 | 112.4 | D44 L45 F50 K51 | D44-Q47 HydrophobicContact CB-CG 4.06Å; D44-Q47 WeakPolarHBondContact O-CB 3.22Å; D44-Q47 PolarHBondContact O-N 3Å; D44-Q47 VanDerWaalsContact O-N 3.09Å; L45-Q47 PolarHBondContact O-N 2.77Å; Q47-F50 PolarHBondContact O-N 3.48Å; Q47-K51 PolarHBondContact O-N 3.12Å |
| 48 | D | 97.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 45 Ų | 45 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 142.7 | 169.9 | -82.9 | -58.5 | 0 | 0 | 0 | 111.3 | K51 | D48-K51 WeakPolarHBondContact OD1-CE 3.46Å; D48-K51 IonicContact OD1-NZ 2.61Å; D48-K51 PolarHBondContact OD1-NZ 3.36Å; D48-K51 VanDerWaalsContact OD1-NZ 3.13Å |
| 49 | P | 97.9 | Very high | 98.5 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.9 | -6.6 | -0.8 | 31.5 | -28.7 | 0 | 0 | 0 | 113.8 | L212 I252 H276 | P49-L212 HydrophobicContact CG-CD1 4.12Å; P49-L212 HydrophobicContact CG-CD2 3.66Å; P49-L212 HydrophobicContact CG-CG 4.5Å; P49-I252 HydrophobicContact CB-CD1 4.44Å; P49-I252 WeakPolarHBondContact O-CD1 3.42Å; P49-H276 PolarHBondContact O-NE2 3.03Å |
| 50 | F | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -47.3 | -167.1 | -59.3 | -71.2 | 0 | 0 | 0 | 114 | L45 Q47 F52 T210 I252 Y297 | L45-F50 HydrophobicContact CB-CB 4.47Å; L45-F50 HydrophobicContact CD2-CB 4.46Å; L45-F50 HydrophobicContact CD2-CD2 3.51Å; L45-F50 HydrophobicContact CD2-CE2 3.81Å; L45-F50 HydrophobicContact CD2-CG 3.94Å; L45-F50 HydrophobicContact CD2-CZ 4.47Å; L45-F50 WeakPolarHBondContact O-CB 3.45Å; Q47-F50 PolarHBondContact O-N 3.48Å; F50-F52 HydrophobicContact CB-CD1 3.87Å; F50-F52 HydrophobicContact CB-CE1 3.91Å; F50-F52 HydrophobicContact CB-CG 4.2Å; F50-F52 HydrophobicContact CB-CZ 4.3Å; F50-F52 HydrophobicContact CD1-CE1 4.32Å; F50-F52 HydrophobicContact CD1-CZ 4.11Å; F50-F52 VanDerWaalsContact O-CD1 3.25Å; F50-F52 WeakPolarHBondContact O-CD1 3.49Å; F50-F52 PolarHBondContact O-N 3.07Å; F50-T210 HydrophobicContact CD1-CG2 3.98Å; F50-T210 HydrophobicContact CE1-CG2 3.66Å; F50-T210 HydrophobicContact CZ-CG2 4.27Å; F50-I252 HydrophobicContact CD1-CG2 3.84Å; F50-I252 HydrophobicContact CE1-CG2 4.32Å; F50-Y297 HydrophobicContact CE2-CD2 4.3Å; F50-Y297 AromaticContact CE2-CE2 3.95Å; F50-Y297 HydrophobicContact CE2-CE2 3.95Å; F50-Y297 AromaticContact CZ-CD2 3.96Å; F50-Y297 HydrophobicContact CZ-CD2 3.96Å; F50-Y297 AromaticContact CZ-CE2 3.83Å; F50-Y297 HydrophobicContact CZ-CE2 3.83Å |
| 51 | K | 98.3 | Very high | 98.5 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | trans | 50.9 | 40.3 | -177 | -57.5 | -173 | -176.1 | 168.2 | 0 | 114 | L45 Q47 D48 | L45-K51 PolarHBondContact O-N 2.88Å; Q47-K51 PolarHBondContact O-N 3.12Å; D48-K51 WeakPolarHBondContact OD1-CE 3.46Å; D48-K51 IonicContact OD1-NZ 2.61Å; D48-K51 PolarHBondContact OD1-NZ 3.36Å; D48-K51 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 52 | F | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -71.8 | 157.9 | 177.3 | -69.4 | 1.1 | 0 | 0 | 0 | 111.3 | L45 F50 V54 F97 L99 L118 T210 I252 F274 | L45-F52 HydrophobicContact CB-CB 4.12Å; L45-F52 HydrophobicContact CB-CD2 3.86Å; L45-F52 HydrophobicContact CB-CG 4.22Å; L45-F52 HydrophobicContact CD1-CD2 3.78Å; L45-F52 HydrophobicContact CD1-CE2 4.04Å; L45-F52 HydrophobicContact CG-CD2 4.39Å; L45-F52 WeakPolarHBondContact O-CB 3.47Å; L45-F52 PolarHBondContact O-N 2.87Å; F50-F52 HydrophobicContact CB-CD1 3.87Å; F50-F52 HydrophobicContact CB-CE1 3.91Å; F50-F52 HydrophobicContact CB-CG 4.2Å; F50-F52 HydrophobicContact CB-CZ 4.3Å; F50-F52 HydrophobicContact CD1-CE1 4.32Å; F50-F52 HydrophobicContact CD1-CZ 4.11Å; F50-F52 VanDerWaalsContact O-CD1 3.25Å; F50-F52 WeakPolarHBondContact O-CD1 3.49Å; F50-F52 PolarHBondContact O-N 3.07Å; F52-V54 PolarHBondContact O-N 2.92Å; F52-V54 VanDerWaalsContact O-N 3.16Å; F52-F97 HydrophobicContact CB-CZ 4.36Å; F52-F97 HydrophobicContact CD2-CE1 4.17Å; F52-F97 AromaticContact CD2-CZ 3.77Å; F52-F97 HydrophobicContact CD2-CZ 3.77Å; F52-F97 HydrophobicContact CE2-CZ 4.33Å; F52-F97 HydrophobicContact CG-CZ 4.21Å; F52-L99 HydrophobicContact CE2-CD2 4.1Å; F52-L118 HydrophobicContact CD1-CD1 3.89Å; F52-L118 HydrophobicContact CD1-CD2 3.63Å; F52-L118 HydrophobicContact CD1-CG 4.43Å; F52-L118 HydrophobicContact CD2-CD2 4.3Å; F52-L118 HydrophobicContact CE1-CD1 3.95Å; F52-L118 HydrophobicContact CE1-CD2 3.57Å; F52-L118 HydrophobicContact CE1-CG 4.43Å; F52-L118 HydrophobicContact CE2-CD2 4.23Å; F52-L118 HydrophobicContact CG-CD2 4.03Å; F52-L118 HydrophobicContact CZ-CD2 3.87Å; F52-T210 HydrophobicContact CE2-CG2 3.93Å; F52-T210 HydrophobicContact CZ-CG2 4.11Å; F52-I252 HydrophobicContact CE1-CG2 4.26Å; F52-I252 HydrophobicContact CZ-CG2 4.41Å; F52-F274 HydrophobicContact CE1-CE1 4.41Å; F52-F274 HydrophobicContact CE1-CZ 4.06Å | ||
| 53 | P | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -73.5 | 1.3 | 176.4 | 31 | -36.4 | 0 | 0 | 0 | 113.7 | F97 L120 V129 | P53-F97 HydrophobicContact CG-CD2 4.1Å; P53-F97 HydrophobicContact CG-CE2 3.82Å; P53-L120 HydrophobicContact CB-CB 4.36Å; P53-L120 HydrophobicContact CG-CB 4.26Å; P53-V129 HydrophobicContact CB-CB 4.46Å; P53-V129 HydrophobicContact CB-CG1 3.95Å |
| 54 | V | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -138.7 | 162.2 | -179 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | T46 F52 G56 F97 L120 | T46-V54 WeakPolarHBondContact CG2-O 3.36Å; T46-V54 PolarHBondContact N-O 2.94Å; F52-V54 PolarHBondContact O-N 2.92Å; F52-V54 VanDerWaalsContact O-N 3.16Å; V54-G56 WeakPolarHBondContact CG2-O 3.4Å; V54-F97 HydrophobicContact CB-CG 4.38Å; V54-F97 HydrophobicContact CG1-CB 4Å; V54-F97 HydrophobicContact CG1-CD2 4.13Å; V54-F97 HydrophobicContact CG1-CG 4.05Å; V54-F97 HydrophobicContact CG2-CB 4.08Å; V54-F97 HydrophobicContact CG2-CD1 3.34Å; V54-F97 HydrophobicContact CG2-CD2 3.75Å; V54-F97 HydrophobicContact CG2-CE1 3.56Å; V54-F97 HydrophobicContact CG2-CE2 3.98Å; V54-F97 HydrophobicContact CG2-CG 3.43Å; V54-F97 VanDerWaalsContact CG2-CG 3.43Å; V54-F97 HydrophobicContact CG2-CZ 3.89Å; V54-L120 HydrophobicContact CG1-CB 4.45Å; V54-L120 HydrophobicContact CG1-CD1 3.83Å; V54-L120 HydrophobicContact CG1-CD2 4.13Å; V54-L120 HydrophobicContact CG1-CG 4.34Å |
| 55 | K | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 37 Ų | 37 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -81.8 | -20.6 | -174.7 | -67.3 | -168 | 169.9 | -168.5 | 0 | 114.7 | P43 L45 T46 P171 | P43-K55 VanDerWaalsContact O-O 3.09Å; L45-K55 PolarHBondContact N-O 2.97Å; T46-K55 HydrophobicContact CG2-CG 3.97Å; K55-P171 HydrophobicContact CB-CG 4Å; K55-P171 HydrophobicContact CD-CG 4.48Å |
| 56 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -161.8 | -172.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C42 V54 G169 K170 | C42-G56 VanDerWaalsContact SG-CA 3.59Å; V54-G56 WeakPolarHBondContact CG2-O 3.4Å; G56-G169 PolarHBondContact N-O 3.39Å; G56-G169 CarbonylContact O-C 3.54Å; G56-G169 VanDerWaalsContact O-CA 3.27Å; G56-G169 WeakPolarHBondContact O-CA 3.4Å; G56-K170 CarbonylContact C-O 3.53Å; G56-K170 WeakPolarHBondContact CA-O 3.19Å | ||
| 57 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -110.5 | 8.2 | -175.9 | -61.5 | 171.8 | 0 | 0 | 0 | 113 | L45 F97 L99 Y165 C167 K170 V174 T210 Y297 M299 | L45-L57 HydrophobicContact CD1-CD1 4.15Å; L45-L57 HydrophobicContact CD1-CD2 3.8Å; L45-L57 HydrophobicContact CD1-CG 3.58Å; L57-F97 HydrophobicContact CD2-CE1 4Å; L57-L99 HydrophobicContact CD2-CD2 3.67Å; L57-Y165 HydrophobicContact CB-CE1 4.25Å; L57-Y165 HydrophobicContact CD2-CE1 4.24Å; L57-Y165 PolarHBondContact O-OH 2.9Å; L57-C167 VanDerWaalsContact C-SG 3.58Å; L57-C167 WeakPolarHBondContact O-CB 3.49Å; L57-C167 PolarHBondContact O-SG 3.29Å; L57-C167 VanDerWaalsContact O-SG 3.41Å; L57-K170 PolarHBondContact N-O 2.67Å; L57-V174 HydrophobicContact CB-CG1 4.47Å; L57-T210 HydrophobicContact CD1-CG2 4.32Å; L57-Y297 WeakPolarHBondContact CD1-O 3.33Å; L57-M299 HydrophobicContact CB-CG 4.25Å |
| 58 | C | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 162.6 | -169 | -56 | 0 | 0 | 0 | 0 | 112.6 | E168 G169 K170 K173 | C58-E168 PolarHBondContact O-N 3.03Å; C58-G169 PolarHBondContact O-N 2.84Å; C58-K170 HydrophobicContact CB-CB 4.45Å; C58-K170 VanDerWaalsContact CB-O 3.26Å; C58-K170 WeakPolarHBondContact CB-O 3.35Å; C58-K170 PolarHBondContact N-O 3.12Å; C58-K170 PolarHBondContact O-N 2.75Å; C58-K173 PolarHBondContact SG-O 3.18Å |
| 59 | G | 97.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 99.9 | 109 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C167 E168 | G59-C167 CarbonylContact O-C 3.55Å; G59-C167 VanDerWaalsContact O-CA 3.32Å; G59-C167 WeakPolarHBondContact O-CA 3.4Å; G59-C167 WeakPolarHBondContact O-CB 3.49Å; G59-E168 WeakPolarHBondContact CA-OE2 3.19Å; G59-E168 PolarHBondContact O-N 3.29Å |
| 60 | K | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 23 Ų | 23 | 49% | 0.487 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 43.2 | 55.5 | 177 | -48.2 | -176.2 | 176.3 | 178 | 0 | 115.1 | R62 L93 | K60-R62 PolarHBondContact O-NE 3.26Å; K60-R62 VanDerWaalsContact O-NE 3.08Å; K60-R62 PolarHBondContact O-NH2 2.92Å; K60-L93 HydrophobicContact CB-CD1 4.46Å; K60-L93 HydrophobicContact CD-CD1 4.27Å |
| 61 | P | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 6% | 0.058 | 12% | 0.116 | C | C | . | . | trans | -61.9 | 135.4 | -173.4 | 29.5 | -37.2 | 0 | 0 | 0 | 111.9 | Y165 A166 M299 P300 E302 | P61-Y165 HydrophobicContact CB-CE2 3.72Å; P61-Y165 WeakPolarHBondContact CB-OH 3.43Å; P61-A166 WeakPolarHBondContact CA-O 3.11Å; P61-M299 HydrophobicContact CB-CB 4.46Å; P61-P300 WeakPolarHBondContact CB-O 3.48Å; P61-P300 WeakPolarHBondContact CG-O 3.34Å; P61-E302 HydrophobicContact CG-CG 4.17Å; P61-E302 WeakPolarHBondContact O-CB 3.18Å; P61-E302 PolarHBondContact O-N 2.8Å | ||
| 62 | R | 98.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 19 Ų | 19 | 4% | 0.038 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.1 | 174.7 | 63.3 | -154.2 | 66 | -172.6 | 5.4 | 110.3 | K60 L91 E92 A166 F303 Y305 | K60-R62 PolarHBondContact O-NE 3.26Å; K60-R62 VanDerWaalsContact O-NE 3.08Å; K60-R62 PolarHBondContact O-NH2 2.92Å; R62-L91 HydrophobicContact CG-CD1 4.36Å; R62-L91 PolarHBondContact NH1-O 2.9Å; R62-E92 VanDerWaalsContact NH1-C 3.29Å; R62-E92 PolarHBondContact NH1-O 2.92Å; R62-A166 HydrophobicContact CG-CB 3.91Å; R62-A166 PolarHBondContact N-O 2.6Å; R62-A166 PolarHBondContact O-N 3.48Å; R62-F303 WeakPolarHBondContact CA-O 3.49Å; R62-F303 HydrophobicContact CB-CB 4.3Å; R62-Y305 HydrophobicContact CB-CD2 4.29Å; R62-Y305 HydrophobicContact CB-CE2 4.16Å; R62-Y305 HydrophobicContact CG-CD2 4.43Å; R62-Y305 HydrophobicContact CG-CE2 4.35Å |
| 63 | I | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 155.8 | 169.9 | 55 | 151.1 | 0 | 0 | 0 | 110.5 | L12 L164 Y165 A206 V256 V258 A301 F303 V304 Y305 | L12-I63 HydrophobicContact CD1-CD1 4.37Å; L12-I63 HydrophobicContact CD1-CG1 4.02Å; I63-L164 CarbonylContact C-O 3.55Å; I63-L164 WeakPolarHBondContact CA-O 3.31Å; I63-Y165 HydrophobicContact CG2-CD2 4.32Å; I63-A206 HydrophobicContact CD1-CB 3.37Å; I63-A206 HydrophobicContact CG1-CB 3.86Å; I63-A206 HydrophobicContact CG2-CB 4.29Å; I63-V256 HydrophobicContact CB-CG1 4.07Å; I63-V256 HydrophobicContact CG2-CG1 3.76Å; I63-V258 HydrophobicContact CD1-CG2 3.39Å; I63-A301 HydrophobicContact CB-CB 4.41Å; I63-A301 HydrophobicContact CG1-CB 4.14Å; I63-A301 HydrophobicContact CG2-CB 3.84Å; I63-F303 PolarHBondContact N-O 2.97Å; I63-V304 HydrophobicContact CD1-CB 3.86Å; I63-V304 HydrophobicContact CD1-CG2 3.7Å; I63-V304 HydrophobicContact CG1-CB 3.78Å; I63-V304 HydrophobicContact CG1-CG2 3.9Å; I63-V304 WeakPolarHBondContact O-CA 3.23Å; I63-Y305 PolarHBondContact O-N 3.25Å |
| 64 | T | 96.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 138.8 | 179.5 | -47.9 | 0 | 0 | 0 | 0 | 109.8 | V66 V87 L91 N163 L164 Y305 I307 | T64-V66 HydrophobicContact CG2-CG2 3.5Å; T64-V87 HydrophobicContact CG2-CG1 4.32Å; T64-L91 HydrophobicContact CG2-CD2 3.63Å; T64-L91 WeakPolarHBondContact OG1-CD1 3.4Å; T64-L91 WeakPolarHBondContact OG1-CD2 3.47Å; T64-N163 WeakPolarHBondContact O-CA 3.45Å; T64-L164 PolarHBondContact N-O 2.7Å; T64-L164 PolarHBondContact O-N 2.95Å; T64-Y305 CarbonylContact C-O 3.52Å; T64-Y305 VanDerWaalsContact CA-O 3.25Å; T64-Y305 WeakPolarHBondContact CA-O 3.44Å; T64-Y305 WeakPolarHBondContact CG2-O 3.22Å; T64-I307 HydrophobicContact CG2-CD1 3.69Å; T64-I307 HydrophobicContact CG2-CG1 4.12Å |
| 65 | D | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.032 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 105.5 | 170.3 | -167.6 | -33.9 | 0 | 0 | 0 | 108.2 | N163 L266 R267 Y305 R306 I307 | D65-N163 PolarHBondContact OD2-ND2 2.89Å; D65-L266 HydrophobicContact CB-CD2 3.78Å; D65-L266 WeakPolarHBondContact OD2-CA 3.39Å; D65-R267 PolarHBondContact OD2-N 2.91Å; D65-Y305 PolarHBondContact N-O 2.83Å; D65-R306 WeakPolarHBondContact O-CA 3.29Å; D65-R306 WeakPolarHBondContact O-CD 3.48Å; D65-R306 PolarHBondContact O-NH1 3.47Å; D65-R306 IonicContact OD1-CZ 2.7Å; D65-R306 IonicContact OD1-NH1 3.04Å; D65-R306 PolarHBondContact OD1-NH1 3.42Å; D65-R306 IonicContact OD1-NH2 2.78Å; D65-I307 PolarHBondContact O-N 3.44Å |
| 66 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.6 | -176.8 | -171 | 0 | 0 | 0 | 0 | 109 | T64 G68 Y82 V87 F158 L161 A162 L164 I307 | T64-V66 HydrophobicContact CG2-CG2 3.5Å; V66-G68 PolarHBondContact O-N 2.9Å; V66-Y82 HydrophobicContact CG1-CD1 3.59Å; V66-Y82 HydrophobicContact CG1-CD2 3.93Å; V66-Y82 HydrophobicContact CG1-CE1 3.71Å; V66-Y82 HydrophobicContact CG1-CE2 4.03Å; V66-Y82 HydrophobicContact CG1-CG 3.69Å; V66-V87 HydrophobicContact CG2-CG2 4.3Å; V66-F158 HydrophobicContact CB-CE2 3.97Å; V66-F158 HydrophobicContact CB-CZ 3.96Å; V66-F158 HydrophobicContact CG1-CE2 3.9Å; V66-F158 HydrophobicContact CG1-CZ 3.8Å; V66-F158 HydrophobicContact CG2-CE2 4.47Å; V66-F158 HydrophobicContact CG2-CZ 4.02Å; V66-L161 CarbonylContact O-C 3.6Å; V66-L161 WeakPolarHBondContact O-CA 3.4Å; V66-A162 PolarHBondContact N-O 2.82Å; V66-A162 PolarHBondContact O-N 2.93Å; V66-L164 HydrophobicContact CG2-CD1 4.36Å; V66-I307 WeakPolarHBondContact CA-O 3.24Å; V66-I307 HydrophobicContact CB-CB 4.38Å; V66-I307 HydrophobicContact CG1-CB 4.11Å; V66-I307 HydrophobicContact CG1-CG2 3.97Å; V66-I307 HydrophobicContact CG2-CB 4.12Å; V66-I307 HydrophobicContact CG2-CD1 4.18Å |
| 67 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.7 | -132.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y82 L160 R306 I307 P310 | G67-Y82 WeakPolarHBondContact CA-OH 3.48Å; G67-L160 WeakPolarHBondContact CA-O 3.25Å; G67-R306 PolarHBondContact O-NH1 3.46Å; G67-R306 PolarHBondContact O-NH2 3.18Å; G67-I307 PolarHBondContact N-O 2.93Å; G67-P310 WeakPolarHBondContact O-CD 3.38Å |
| 68 | G | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | trans | 160.8 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V66 Y71 L160 | V66-G68 PolarHBondContact O-N 2.9Å; G68-Y71 WeakPolarHBondContact O-CB 3.48Å; G68-Y71 PolarHBondContact O-N 3.42Å; G68-L160 PolarHBondContact N-O 2.6Å; G68-L160 VanDerWaalsContact N-O 3.09Å | ||
| 69 | V | 98 | Very high | 97.8 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -52.7 | -33.5 | 175 | -179.6 | 0 | 0 | 0 | 0 | 113.2 | Y71 L72 V73 L161 V316 G317 R318 | V69-Y71 PolarHBondContact O-N 3.35Å; V69-L72 WeakPolarHBondContact O-CA 3.29Å; V69-L72 WeakPolarHBondContact O-CB 3.47Å; V69-L72 PolarHBondContact O-N 3.4Å; V69-V73 HydrophobicContact CG1-CG2 3.76Å; V69-V73 PolarHBondContact O-N 2.9Å; V69-L161 HydrophobicContact CB-CD2 4.45Å; V69-L161 HydrophobicContact CG2-CD2 3.96Å; V69-V316 VanDerWaalsContact CG1-O 3.27Å; V69-V316 WeakPolarHBondContact CG1-O 3.02Å; V69-G317 WeakPolarHBondContact CG1-O 3.39Å; V69-R318 HydrophobicContact CG2-CG 4.49Å |
| 70 | P | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -63.1 | -8.6 | 172.8 | -24 | 34.3 | 0 | 0 | 0 | 116.2 | V73 P310 E312 T313 | P70-V73 CarbonylContact C-O 3.55Å; P70-V73 WeakPolarHBondContact CA-O 3.47Å; P70-P310 HydrophobicContact CB-CB 3.82Å; P70-P310 HydrophobicContact CB-CG 3.93Å; P70-P310 HydrophobicContact CG-CB 4.16Å; P70-P310 HydrophobicContact CG-CG 4.02Å; P70-E312 WeakPolarHBondContact CB-O 3.21Å; P70-T313 WeakPolarHBondContact CG-OG1 3.45Å |
| 71 | Y | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -93.2 | -14.3 | 169.1 | -64.8 | -16.7 | 0 | 0 | 0 | 112.6 | G68 V69 V76 K77 K80 Y82 L160 D308 P310 | G68-Y71 WeakPolarHBondContact O-CB 3.48Å; G68-Y71 PolarHBondContact O-N 3.42Å; V69-Y71 PolarHBondContact O-N 3.35Å; Y71-V76 CarbonylContact O-C 3.59Å; Y71-V76 WeakPolarHBondContact O-CA 3.42Å; Y71-K77 HydrophobicContact CD1-CD 3.75Å; Y71-K77 HydrophobicContact CE1-CD 4.3Å; Y71-K77 HydrophobicContact CG-CD 4.48Å; Y71-K77 PolarHBondContact O-N 2.68Å; Y71-K80 HydrophobicContact CD1-CG 4.37Å; Y71-K80 HydrophobicContact CD2-CB 3.98Å; Y71-K80 HydrophobicContact CD2-CD 3.87Å; Y71-K80 HydrophobicContact CD2-CG 3.59Å; Y71-K80 HydrophobicContact CE2-CD 3.66Å; Y71-K80 HydrophobicContact CE2-CG 3.94Å; Y71-K80 HydrophobicContact CG-CB 4.41Å; Y71-K80 HydrophobicContact CG-CD 4.42Å; Y71-K80 HydrophobicContact CG-CG 3.82Å; Y71-K80 PolarHBondContact OH-NZ 2.78Å; Y71-K80 VanDerWaalsContact OH-NZ 3.12Å; Y71-Y82 WeakPolarHBondContact CD2-OH 3.43Å; Y71-Y82 VanDerWaalsContact CE2-OH 3.27Å; Y71-Y82 WeakPolarHBondContact CE2-OH 3.34Å; Y71-L160 WeakPolarHBondContact CD2-O 3.29Å; Y71-D308 WeakPolarHBondContact CE2-O 3.15Å; Y71-D308 PolarHBondContact OH-O 3.27Å; Y71-D308 PolarHBondContact OH-OD1 2.67Å; Y71-P310 HydrophobicContact CD1-CB 4.19Å; Y71-P310 HydrophobicContact CD1-CG 4.01Å; Y71-P310 HydrophobicContact CD2-CG 4.49Å; Y71-P310 HydrophobicContact CE1-CB 3.68Å; Y71-P310 HydrophobicContact CE1-CG 3.74Å; Y71-P310 HydrophobicContact CE2-CG 4.23Å; Y71-P310 HydrophobicContact CG-CG 4.4Å |
| 72 | L | 98.2 | Very high | 97.8 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 12% | 0.12 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -45.8 | 173.9 | 175.1 | 64.9 | 0 | 0 | 0 | 112 | V69 L75 V76 L160 L161 M223 F227 W241 | V69-L72 WeakPolarHBondContact O-CA 3.29Å; V69-L72 WeakPolarHBondContact O-CB 3.47Å; V69-L72 PolarHBondContact O-N 3.4Å; L72-L75 CarbonylContact O-C 3.4Å; L72-V76 WeakPolarHBondContact O-CA 3.48Å; L72-V76 PolarHBondContact O-N 3.28Å; L72-L160 HydrophobicContact CB-CD1 4.14Å; L72-L160 HydrophobicContact CD1-CD1 3.6Å; L72-L160 HydrophobicContact CG-CD1 4.44Å; L72-L161 HydrophobicContact CB-CD2 4.43Å; L72-M223 HydrophobicContact CD1-SD 4.01Å; L72-M223 HydrophobicContact CD2-SD 3.65Å; L72-F227 HydrophobicContact CD1-CD1 3.82Å; L72-F227 HydrophobicContact CD1-CE1 3.72Å; L72-W241 HydrophobicContact CD1-CH2 4.33Å |
| 73 | V | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -126.4 | 157 | -177.5 | -54 | 0 | 0 | 0 | 0 | 110.1 | V69 P70 L232 V238 H314 V316 | V69-V73 HydrophobicContact CG1-CG2 3.76Å; V69-V73 PolarHBondContact O-N 2.9Å; P70-V73 CarbonylContact C-O 3.55Å; P70-V73 WeakPolarHBondContact CA-O 3.47Å; V73-L232 HydrophobicContact CB-CB 4.38Å; V73-L232 HydrophobicContact CG1-CB 4.2Å; V73-L232 HydrophobicContact CG1-CD1 3.98Å; V73-V238 HydrophobicContact CG1-CG2 4.21Å; V73-H314 VanDerWaalsContact CG2-CE1 3.42Å; V73-H314 WeakPolarHBondContact CG2-CE1 3.26Å; V73-H314 PolarHBondContact O-NE2 2.87Å; V73-V316 HydrophobicContact CG2-CG1 4.37Å |
| 74 | P | 97.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 32 Ų | 32 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | S | Bend | cis | -69.3 | -26 | 1.1 | 28.8 | -35.7 | 0 | 0 | 0 | 114.2 | P231 L232 | P74-P231 HydrophobicContact CB-CB 4.12Å; P74-P231 CarbonylContact O-C 3.58Å; P74-P231 VanDerWaalsContact O-CA 3.3Å; P74-P231 WeakPolarHBondContact O-CA 3.24Å; P74-L232 WeakPolarHBondContact CA-O 3.49Å; P74-L232 WeakPolarHBondContact CB-O 3.31Å; P74-L232 PolarHBondContact O-N 3.03Å |
| 75 | L | 97.8 | Very high | 97.9 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 44% | 0.44 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -130.5 | 141.4 | 170.8 | -71.9 | 174.9 | 0 | 0 | 0 | 109.5 | L72 P231 | L72-L75 CarbonylContact O-C 3.4Å; L75-P231 HydrophobicContact CD1-CG 4.14Å; L75-P231 HydrophobicContact CD2-CG 4.25Å; L75-P231 HydrophobicContact CG-CB 4.42Å; L75-P231 HydrophobicContact CG-CG 4.09Å |
| 76 | V | 98.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | trans | -65.9 | 139.3 | -175.6 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | Y71 L72 V78 L160 F227 | Y71-V76 CarbonylContact O-C 3.59Å; Y71-V76 WeakPolarHBondContact O-CA 3.42Å; L72-V76 WeakPolarHBondContact O-CA 3.48Å; L72-V76 PolarHBondContact O-N 3.28Å; V76-V78 HydrophobicContact CB-CG1 4.47Å; V76-V78 HydrophobicContact CG1-CG1 3.89Å; V76-V78 HydrophobicContact CG2-CG1 3.79Å; V76-L160 HydrophobicContact CG2-CD1 3.79Å; V76-L160 HydrophobicContact CG2-CD2 3.66Å; V76-L160 HydrophobicContact CG2-CG 4.38Å; V76-F227 HydrophobicContact CB-CB 4.2Å; V76-F227 HydrophobicContact CB-CD1 4.04Å; V76-F227 HydrophobicContact CB-CD2 4.34Å; V76-F227 HydrophobicContact CB-CG 3.94Å; V76-F227 HydrophobicContact CG1-CB 3.65Å; V76-F227 HydrophobicContact CG1-CD1 4.31Å; V76-F227 HydrophobicContact CG1-CD2 3.87Å; V76-F227 HydrophobicContact CG1-CG 3.69Å; V76-F227 HydrophobicContact CG2-CD1 3.86Å; V76-F227 HydrophobicContact CG2-CD2 4.04Å; V76-F227 HydrophobicContact CG2-CE1 3.85Å; V76-F227 HydrophobicContact CG2-CE2 4.02Å; V76-F227 HydrophobicContact CG2-CG 3.96Å; V76-F227 HydrophobicContact CG2-CZ 3.94Å | ||
| 77 | K | 97.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 36 Ų | 36 | 30% | 0.3 | 19% | 0.194 | S | C | . | . | trans | -105.5 | 79.2 | 171.9 | -61.1 | -176 | -173.5 | 172.3 | 0 | 109.5 | Y71 D79 K80 L160 | Y71-K77 HydrophobicContact CD1-CD 3.75Å; Y71-K77 HydrophobicContact CE1-CD 4.3Å; Y71-K77 HydrophobicContact CG-CD 4.48Å; Y71-K77 PolarHBondContact O-N 2.68Å; K77-D79 PolarHBondContact O-N 3.44Å; K77-K80 HydrophobicContact CB-CG 3.89Å; K77-K80 VanDerWaalsContact O-CB 3.31Å; K77-K80 WeakPolarHBondContact O-CB 3.48Å; K77-K80 PolarHBondContact O-N 3.06Å; K77-L160 VanDerWaalsContact O-CD2 3.31Å; K77-L160 WeakPolarHBondContact O-CD2 3.38Å | ||
| 78 | V | 95.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 36 Ų | 36 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.1 | -174.1 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | V76 K80 F227 | V76-V78 HydrophobicContact CB-CG1 4.47Å; V76-V78 HydrophobicContact CG1-CG1 3.89Å; V76-V78 HydrophobicContact CG2-CG1 3.79Å; V78-K80 VanDerWaalsContact C-N 3.26Å; V78-F227 HydrophobicContact CG1-CD2 4.32Å; V78-F227 HydrophobicContact CG1-CE2 4.15Å |
| 79 | D | 96.2 | Very high | 97.8 | Very high | 124 Ų | 124 | 41 Ų | 41 | 66% | 0.663 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.6 | 171.9 | 61.3 | -62.4 | 0 | 0 | 0 | 113.2 | K77 E81 | K77-D79 PolarHBondContact O-N 3.44Å; D79-E81 PolarHBondContact O-N 3.49Å; D79-E81 VanDerWaalsContact O-N 3.1Å |
| 80 | K | 97.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | trans | -80.6 | 87.6 | 177.8 | -63.4 | -62.3 | -167.6 | 167.2 | 0 | 111 | Y71 K77 V78 Y82 G159 L160 D308 | Y71-K80 HydrophobicContact CD1-CG 4.37Å; Y71-K80 HydrophobicContact CD2-CB 3.98Å; Y71-K80 HydrophobicContact CD2-CD 3.87Å; Y71-K80 HydrophobicContact CD2-CG 3.59Å; Y71-K80 HydrophobicContact CE2-CD 3.66Å; Y71-K80 HydrophobicContact CE2-CG 3.94Å; Y71-K80 HydrophobicContact CG-CB 4.41Å; Y71-K80 HydrophobicContact CG-CD 4.42Å; Y71-K80 HydrophobicContact CG-CG 3.82Å; Y71-K80 PolarHBondContact OH-NZ 2.78Å; Y71-K80 VanDerWaalsContact OH-NZ 3.12Å; K77-K80 HydrophobicContact CB-CG 3.89Å; K77-K80 VanDerWaalsContact O-CB 3.31Å; K77-K80 WeakPolarHBondContact O-CB 3.48Å; K77-K80 PolarHBondContact O-N 3.06Å; V78-K80 VanDerWaalsContact C-N 3.26Å; K80-Y82 HydrophobicContact CB-CE2 4.35Å; K80-G159 WeakPolarHBondContact O-CA 3.32Å; K80-L160 HydrophobicContact CB-CD2 4.43Å; K80-L160 PolarHBondContact O-N 2.6Å; K80-D308 WeakPolarHBondContact CD-OD2 2.8Å; K80-D308 VanDerWaalsContact NZ-CG 3.34Å; K80-D308 IonicContact NZ-OD1 2.78Å; K80-D308 PolarHBondContact NZ-OD1 3.18Å; K80-D308 VanDerWaalsContact NZ-OD1 3.1Å; K80-D308 IonicContact NZ-OD2 3.7Å; K80-D308 PolarHBondContact NZ-OD2 2.93Å | ||
| 81 | E | 97.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.8 | -178 | -70.5 | -73.8 | 163.7 | 0 | 0 | 110.2 | D79 S105 | D79-E81 PolarHBondContact O-N 3.49Å; D79-E81 VanDerWaalsContact O-N 3.1Å; E81-S105 PolarHBondContact OE1-OG 3.37Å; E81-S105 WeakPolarHBondContact OE2-CB 3.38Å; E81-S105 PolarHBondContact OE2-OG 2.79Å |
| 82 | Y | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 48 Ų | 48 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 163.7 | -173 | -47.8 | -80.1 | 0 | 0 | 0 | 110.7 | V66 G67 Y71 K80 D157 F158 D308 | V66-Y82 HydrophobicContact CG1-CD1 3.59Å; V66-Y82 HydrophobicContact CG1-CD2 3.93Å; V66-Y82 HydrophobicContact CG1-CE1 3.71Å; V66-Y82 HydrophobicContact CG1-CE2 4.03Å; V66-Y82 HydrophobicContact CG1-CG 3.69Å; G67-Y82 WeakPolarHBondContact CA-OH 3.48Å; Y71-Y82 WeakPolarHBondContact CD2-OH 3.43Å; Y71-Y82 VanDerWaalsContact CE2-OH 3.27Å; Y71-Y82 WeakPolarHBondContact CE2-OH 3.34Å; K80-Y82 HydrophobicContact CB-CE2 4.35Å; Y82-D157 CarbonylContact O-C 3.52Å; Y82-D157 WeakPolarHBondContact O-CA 3.33Å; Y82-F158 VanDerWaalsContact CB-CE1 3.49Å; Y82-F158 AromaticContact CD2-CD2 3.86Å; Y82-F158 HydrophobicContact CD2-CD2 3.86Å; Y82-F158 AromaticContact CD2-CE2 3.46Å; Y82-F158 HydrophobicContact CD2-CE2 3.46Å; Y82-F158 VanDerWaalsContact CD2-CE2 3.46Å; Y82-F158 HydrophobicContact CD2-CZ 4.02Å; Y82-F158 HydrophobicContact CE2-CE2 4.36Å; Y82-F158 HydrophobicContact CG-CD2 4.45Å; Y82-F158 HydrophobicContact CG-CE1 4.5Å; Y82-F158 AromaticContact CG-CE2 3.82Å; Y82-F158 HydrophobicContact CG-CE2 3.82Å; Y82-F158 AromaticContact CG-CZ 3.88Å; Y82-F158 HydrophobicContact CG-CZ 3.88Å; Y82-F158 PolarHBondContact N-O 2.84Å; Y82-F158 PolarHBondContact O-N 3.06Å; Y82-D308 HydrophobicContact CE1-CB 3.96Å; Y82-D308 PolarHBondContact OH-OD2 3.45Å; Y82-D308 VanDerWaalsContact OH-OD2 3.06Å |
| 83 | N | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.1 | 179 | -179.4 | -79.6 | 0 | 0 | 0 | 111.1 | N85 T86 V87 C156 D157 | N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 2.89Å; N83-N85 WeakPolarHBondContact OD1-CA 3.17Å; N83-N85 WeakPolarHBondContact OD1-CB 3.38Å; N83-N85 PolarHBondContact OD1-N 2.95Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N83-T86 WeakPolarHBondContact O-CB 3.36Å; N83-T86 PolarHBondContact O-N 3.29Å; N83-T86 PolarHBondContact OD1-N 2.92Å; N83-V87 WeakPolarHBondContact O-CG2 3.29Å; N83-V87 PolarHBondContact O-N 2.96Å; N83-C156 WeakPolarHBondContact CA-O 3.26Å; N83-D157 WeakPolarHBondContact CB-OD1 3.46Å; N83-D157 PolarHBondContact ND2-OD1 3.03Å |
| 84 | M | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -30.2 | -176.8 | -65.4 | -65.2 | -179 | 0 | 0 | 113.8 | V87 S88 I98 P117 V119 T121 C156 F158 L164 | M84-V87 PolarHBondContact O-N 2.97Å; M84-S88 PolarHBondContact O-N 3.06Å; M84-I98 HydrophobicContact CB-CD1 4.34Å; M84-I98 HydrophobicContact SD-CD1 4.24Å; M84-I98 HydrophobicContact SD-CG2 3.98Å; M84-P117 HydrophobicContact CE-CB 3.9Å; M84-P117 HydrophobicContact CE-CG 4.28Å; M84-V119 HydrophobicContact CB-CB 4.46Å; M84-V119 HydrophobicContact CB-CG1 4.16Å; M84-V119 HydrophobicContact CG-CG2 4.23Å; M84-T121 HydrophobicContact CB-CG2 4.22Å; M84-T121 WeakPolarHBondContact O-CG2 3.33Å; M84-C156 HydrophobicContact CB-CB 4.08Å; M84-C156 PolarHBondContact N-O 2.74Å; M84-F158 HydrophobicContact CE-CD1 3.42Å; M84-F158 VanDerWaalsContact CE-CD1 3.42Å; M84-F158 HydrophobicContact CE-CE1 3.61Å; M84-F158 HydrophobicContact CE-CG 3.98Å; M84-F158 HydrophobicContact CE-CZ 4.32Å; M84-F158 HydrophobicContact CG-CD1 4.09Å; M84-F158 HydrophobicContact CG-CE1 4.21Å; M84-F158 HydrophobicContact SD-CD1 3.88Å; M84-F158 HydrophobicContact SD-CE1 3.59Å; M84-F158 VanDerWaalsContact SD-CE1 3.59Å; M84-F158 HydrophobicContact SD-CZ 4.47Å; M84-L164 HydrophobicContact CE-CD1 3.72Å; M84-L164 HydrophobicContact CE-CD2 3.66Å; M84-L164 HydrophobicContact CE-CG 4.33Å; M84-L164 HydrophobicContact SD-CD1 3.54Å; M84-L164 VanDerWaalsContact SD-CD1 3.54Å; M84-L164 HydrophobicContact SD-CD2 4.38Å |
| 85 | N | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 50 Ų | 50 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -33.4 | 175 | -58.8 | -53.9 | 0 | 0 | 0 | 112 | N83 S88 K89 T121 E122 | N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 2.89Å; N83-N85 WeakPolarHBondContact OD1-CA 3.17Å; N83-N85 WeakPolarHBondContact OD1-CB 3.38Å; N83-N85 PolarHBondContact OD1-N 2.95Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N85-S88 PolarHBondContact O-OG 2.87Å; N85-K89 WeakPolarHBondContact O-CG 3.24Å; N85-T121 WeakPolarHBondContact OD1-CA 3.44Å; N85-T121 VanDerWaalsContact OD1-CB 3.26Å; N85-T121 WeakPolarHBondContact OD1-CB 3.43Å; N85-E122 HydrophobicContact CB-CG 3.96Å; N85-E122 PolarHBondContact OD1-N 2.84Å |
| 86 | T | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 46 Ų | 46 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -47.2 | 172.3 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | N83 S88 K89 E90 | N83-T86 WeakPolarHBondContact O-CB 3.36Å; N83-T86 PolarHBondContact O-N 3.29Å; N83-T86 PolarHBondContact OD1-N 2.92Å; T86-S88 VanDerWaalsContact C-N 3.35Å; T86-S88 PolarHBondContact O-N 2.93Å; T86-K89 WeakPolarHBondContact O-CB 3.14Å; T86-K89 PolarHBondContact O-N 3.09Å; T86-K89 VanDerWaalsContact O-N 3.12Å; T86-E90 PolarHBondContact O-N 3.11Å; T86-E90 VanDerWaalsContact O-N 3.11Å |
| 87 | V | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.7 | -52.4 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110 | T64 V66 N83 M84 K89 E90 L91 F158 L164 I307 | T64-V87 HydrophobicContact CG2-CG1 4.32Å; V66-V87 HydrophobicContact CG2-CG2 4.3Å; N83-V87 WeakPolarHBondContact O-CG2 3.29Å; N83-V87 PolarHBondContact O-N 2.96Å; M84-V87 PolarHBondContact O-N 2.97Å; V87-K89 PolarHBondContact O-N 2.82Å; V87-E90 WeakPolarHBondContact O-CA 3.49Å; V87-E90 WeakPolarHBondContact O-CB 3.47Å; V87-E90 PolarHBondContact O-N 2.99Å; V87-L91 HydrophobicContact CG1-CD1 3.86Å; V87-L91 HydrophobicContact CG1-CD2 4.28Å; V87-L91 HydrophobicContact CG1-CG 3.9Å; V87-L91 VanDerWaalsContact O-CG 3.25Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 2.82Å; V87-F158 HydrophobicContact CG2-CE1 4.01Å; V87-F158 HydrophobicContact CG2-CZ 4.05Å; V87-L164 HydrophobicContact CG1-CD1 4.35Å; V87-I307 HydrophobicContact CG1-CD1 4.12Å; V87-I307 HydrophobicContact CG2-CD1 4.39Å |
| 88 | S | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -30.3 | -177 | 72 | 0 | 0 | 0 | 0 | 114.3 | M84 N85 T86 L93 T121 | M84-S88 PolarHBondContact O-N 3.06Å; N85-S88 PolarHBondContact O-OG 2.87Å; T86-S88 VanDerWaalsContact C-N 3.35Å; T86-S88 PolarHBondContact O-N 2.93Å; S88-L93 WeakPolarHBondContact CB-O 3.49Å; S88-L93 CarbonylContact O-C 3.51Å; S88-L93 WeakPolarHBondContact O-CA 3.28Å; S88-L93 PolarHBondContact O-N 3.34Å; S88-T121 WeakPolarHBondContact CB-OG1 3.45Å; S88-T121 PolarHBondContact OG-OG1 2.69Å |
| 89 | K | 97.5 | Very high | 98 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.4 | -45.2 | 172.9 | -64.6 | 166.7 | -170.5 | 167.4 | 0 | 111.6 | N85 T86 V87 L91 E92 P94 E122 | N85-K89 WeakPolarHBondContact O-CG 3.24Å; T86-K89 WeakPolarHBondContact O-CB 3.14Å; T86-K89 PolarHBondContact O-N 3.09Å; T86-K89 VanDerWaalsContact O-N 3.12Å; V87-K89 PolarHBondContact O-N 2.82Å; K89-L91 PolarHBondContact O-N 2.98Å; K89-E92 PolarHBondContact O-N 2.84Å; K89-P94 HydrophobicContact CG-CB 4.49Å; K89-E122 IonicContact NZ-OE1 3.17Å; K89-E122 PolarHBondContact NZ-OE1 2.7Å |
| 90 | E | 97.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.1 | -31.3 | 175.6 | -68.5 | -172.2 | -151.3 | 0 | 0 | 112.7 | S5 T7 T86 V87 E92 I307 | S5-E90 PolarHBondContact OG-OE2 3.04Å; S5-E90 VanDerWaalsContact OG-OE2 3.06Å; T7-E90 PolarHBondContact OG1-OE2 3.26Å; T86-E90 PolarHBondContact O-N 3.11Å; T86-E90 VanDerWaalsContact O-N 3.11Å; V87-E90 WeakPolarHBondContact O-CA 3.49Å; V87-E90 WeakPolarHBondContact O-CB 3.47Å; V87-E90 PolarHBondContact O-N 2.99Å; E90-E92 PolarHBondContact O-N 2.88Å; E90-I307 HydrophobicContact CB-CD1 4.07Å; E90-I307 WeakPolarHBondContact OE2-CG2 3.46Å |
| 91 | L | 96.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.7 | 175.2 | -58.9 | -172.7 | 0 | 0 | 0 | 113.4 | R62 T64 V87 K89 L93 A166 Y305 I307 | R62-L91 HydrophobicContact CG-CD1 4.36Å; R62-L91 PolarHBondContact NH1-O 2.9Å; T64-L91 HydrophobicContact CG2-CD2 3.63Å; T64-L91 WeakPolarHBondContact OG1-CD1 3.4Å; T64-L91 WeakPolarHBondContact OG1-CD2 3.47Å; V87-L91 HydrophobicContact CG1-CD1 3.86Å; V87-L91 HydrophobicContact CG1-CD2 4.28Å; V87-L91 HydrophobicContact CG1-CG 3.9Å; V87-L91 VanDerWaalsContact O-CG 3.25Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 2.82Å; K89-L91 PolarHBondContact O-N 2.98Å; L91-L93 VanDerWaalsContact C-N 3.26Å; L91-L93 PolarHBondContact O-N 2.95Å; L91-A166 HydrophobicContact CD1-CB 3.64Å; L91-Y305 HydrophobicContact CD2-CD1 4.15Å; L91-Y305 HydrophobicContact CD2-CD2 3.83Å; L91-Y305 HydrophobicContact CD2-CG 3.52Å; L91-Y305 VanDerWaalsContact O-CZ 3.22Å; L91-Y305 PolarHBondContact O-OH 2.93Å; L91-I307 HydrophobicContact CD2-CD1 4.04Å |
| 92 | E | 97.5 | Very high | 98.2 | Very high | 115 Ų | 115 | 26.9 Ų | 26.9 | 54% | 0.537 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 35.3 | -168.7 | -49.5 | 167.2 | -165.7 | 0 | 0 | 112 | K9 R62 K89 E90 Y305 | K9-E92 IonicContact NZ-OE1 2.77Å; K9-E92 PolarHBondContact NZ-OE1 3.22Å; K9-E92 IonicContact NZ-OE2 2.88Å; K9-E92 PolarHBondContact NZ-OE2 2.93Å; R62-E92 VanDerWaalsContact NH1-C 3.29Å; R62-E92 PolarHBondContact NH1-O 2.92Å; K89-E92 PolarHBondContact O-N 2.84Å; E90-E92 PolarHBondContact O-N 2.88Å; E92-Y305 VanDerWaalsContact CD-OH 3.32Å; E92-Y305 HydrophobicContact CG-CE1 4.44Å; E92-Y305 PolarHBondContact OE2-OH 2.83Å |
| 93 | L | 98.1 | Very high | 98.3 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | trans | -142.6 | 61.9 | 178 | -162.8 | 61 | 0 | 0 | 0 | 112.2 | K60 S88 L91 G95 A96 A166 E168 | K60-L93 HydrophobicContact CB-CD1 4.46Å; K60-L93 HydrophobicContact CD-CD1 4.27Å; S88-L93 WeakPolarHBondContact CB-O 3.49Å; S88-L93 CarbonylContact O-C 3.51Å; S88-L93 WeakPolarHBondContact O-CA 3.28Å; S88-L93 PolarHBondContact O-N 3.34Å; L91-L93 VanDerWaalsContact C-N 3.26Å; L91-L93 PolarHBondContact O-N 2.95Å; L93-G95 PolarHBondContact O-N 2.97Å; L93-A96 HydrophobicContact CB-CB 4.23Å; L93-A96 HydrophobicContact CD2-CB 3.77Å; L93-A96 HydrophobicContact CG-CB 3.84Å; L93-A96 VanDerWaalsContact O-CB 3.29Å; L93-A96 WeakPolarHBondContact O-CB 3.35Å; L93-A96 PolarHBondContact O-N 2.96Å; L93-A96 VanDerWaalsContact O-N 3.11Å; L93-A166 HydrophobicContact CD2-CB 4.48Å; L93-E168 HydrophobicContact CD1-CG 4Å | ||
| 94 | P | 97.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 23.9 Ų | 23.9 | 61% | 0.61 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.6 | 174.9 | 26.3 | -34.6 | 0 | 0 | 0 | 110.5 | K89 | K89-P94 HydrophobicContact CG-CB 4.49Š|
| 95 | G | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 13.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | L93 T121 E122 R126 | L93-G95 PolarHBondContact O-N 2.97Å; G95-T121 VanDerWaalsContact CA-OG1 3.29Å; G95-T121 WeakPolarHBondContact CA-OG1 3.26Å; G95-T121 PolarHBondContact N-OG1 3.15Å; G95-E122 VanDerWaalsContact CA-O 3.26Å; G95-E122 WeakPolarHBondContact CA-O 3.32Å; G95-E122 PolarHBondContact N-O 3.23Å; G95-R126 PolarHBondContact O-NH2 3.18Å |
| 96 | A | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | trans | -55.5 | 148.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L93 I98 T121 A166 C167 | L93-A96 HydrophobicContact CB-CB 4.23Å; L93-A96 HydrophobicContact CD2-CB 3.77Å; L93-A96 HydrophobicContact CG-CB 3.84Å; L93-A96 VanDerWaalsContact O-CB 3.29Å; L93-A96 WeakPolarHBondContact O-CB 3.35Å; L93-A96 PolarHBondContact O-N 2.96Å; L93-A96 VanDerWaalsContact O-N 3.11Å; A96-I98 HydrophobicContact CB-CD1 4.46Å; A96-I98 HydrophobicContact CB-CG1 4.03Å; A96-T121 PolarHBondContact N-OG1 2.85Å; A96-T121 VanDerWaalsContact N-OG1 3.1Å; A96-T121 PolarHBondContact O-N 3.3Å; A96-T121 PolarHBondContact O-OG1 3.42Å; A96-A166 HydrophobicContact CB-CB 4.35Å; A96-C167 CarbonylContact C-O 3.55Å; A96-C167 WeakPolarHBondContact CA-O 3.38Å | ||
| 97 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.4 | 153.9 | 173.2 | -121.4 | 0 | 0 | 0 | 109.4 | F52 P53 V54 L57 L99 L118 V119 L120 A166 C167 | F52-F97 HydrophobicContact CB-CZ 4.36Å; F52-F97 HydrophobicContact CD2-CE1 4.17Å; F52-F97 AromaticContact CD2-CZ 3.77Å; F52-F97 HydrophobicContact CD2-CZ 3.77Å; F52-F97 HydrophobicContact CE2-CZ 4.33Å; F52-F97 HydrophobicContact CG-CZ 4.21Å; P53-F97 HydrophobicContact CG-CD2 4.1Å; P53-F97 HydrophobicContact CG-CE2 3.82Å; V54-F97 HydrophobicContact CB-CG 4.38Å; V54-F97 HydrophobicContact CG1-CB 4Å; V54-F97 HydrophobicContact CG1-CD2 4.13Å; V54-F97 HydrophobicContact CG1-CG 4.05Å; V54-F97 HydrophobicContact CG2-CB 4.08Å; V54-F97 HydrophobicContact CG2-CD1 3.34Å; V54-F97 HydrophobicContact CG2-CD2 3.75Å; V54-F97 HydrophobicContact CG2-CE1 3.56Å; V54-F97 HydrophobicContact CG2-CE2 3.98Å; V54-F97 HydrophobicContact CG2-CG 3.43Å; V54-F97 VanDerWaalsContact CG2-CG 3.43Å; V54-F97 HydrophobicContact CG2-CZ 3.89Å; L57-F97 HydrophobicContact CD2-CE1 4Å; F97-L99 HydrophobicContact CE1-CD2 3.85Å; F97-L99 HydrophobicContact CZ-CB 4.31Å; F97-L99 HydrophobicContact CZ-CD2 4.12Å; F97-L118 HydrophobicContact CE2-CD2 4.21Å; F97-L118 HydrophobicContact CZ-CD2 3.94Å; F97-V119 CarbonylContact C-O 3.58Å; F97-V119 WeakPolarHBondContact CA-O 3.34Å; F97-L120 HydrophobicContact CB-CD1 4.18Å; F97-A166 VanDerWaalsContact O-CA 3.31Å; F97-A166 WeakPolarHBondContact O-CA 3.41Å; F97-C167 PolarHBondContact N-O 3.45Å; F97-C167 PolarHBondContact O-N 2.94Å |
| 98 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.3 | -175.6 | -59.9 | -178.5 | 0 | 0 | 0 | 109.8 | M84 A96 L118 V119 T121 L164 Y165 A166 | M84-I98 HydrophobicContact CB-CD1 4.34Å; M84-I98 HydrophobicContact SD-CD1 4.24Å; M84-I98 HydrophobicContact SD-CG2 3.98Å; A96-I98 HydrophobicContact CB-CD1 4.46Å; A96-I98 HydrophobicContact CB-CG1 4.03Å; I98-L118 WeakPolarHBondContact O-CA 3.33Å; I98-V119 PolarHBondContact N-O 2.6Å; I98-V119 PolarHBondContact O-N 2.88Å; I98-T121 HydrophobicContact CD1-CG2 3.73Å; I98-T121 HydrophobicContact CG1-CG2 4.26Å; I98-L164 HydrophobicContact CG2-CB 3.96Å; I98-L164 HydrophobicContact CG2-CD1 4.02Å; I98-L164 HydrophobicContact CG2-CD2 3.88Å; I98-L164 HydrophobicContact CG2-CG 4.17Å; I98-Y165 WeakPolarHBondContact CA-O 3.46Å; I98-A166 HydrophobicContact CG1-CB 4.05Å |
| 99 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 168.8 | 168.2 | 65.5 | 78.2 | 0 | 0 | 0 | 111.6 | F52 L57 F97 P117 L118 L164 Y165 G209 Q254 | F52-L99 HydrophobicContact CE2-CD2 4.1Å; L57-L99 HydrophobicContact CD2-CD2 3.67Å; F97-L99 HydrophobicContact CE1-CD2 3.85Å; F97-L99 HydrophobicContact CZ-CB 4.31Å; F97-L99 HydrophobicContact CZ-CD2 4.12Å; L99-P117 VanDerWaalsContact CA-O 3.22Å; L99-P117 WeakPolarHBondContact CA-O 3.27Å; L99-L118 HydrophobicContact CB-CD2 4.14Å; L99-L164 CarbonylContact O-C 3.46Å; L99-L164 WeakPolarHBondContact O-CA 3.26Å; L99-Y165 HydrophobicContact CD1-CD1 4.24Å; L99-Y165 HydrophobicContact CD1-CG 4.46Å; L99-Y165 HydrophobicContact CD2-CD1 4.4Å; L99-Y165 HydrophobicContact CG-CD1 4.1Å; L99-Y165 PolarHBondContact N-O 3.05Å; L99-Y165 PolarHBondContact O-N 2.93Å; L99-G209 VanDerWaalsContact CD1-O 3.29Å; L99-G209 WeakPolarHBondContact CD1-O 3.4Å; L99-Q254 HydrophobicContact CB-CG 4.29Å; L99-Q254 HydrophobicContact CD1-CB 4.1Å; L99-Q254 HydrophobicContact CD1-CG 4.46Å |
| 100 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -136 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P117 N163 Q254 | G100-P117 WeakPolarHBondContact O-CD 3.32Å; G100-N163 WeakPolarHBondContact CA-O 3.32Å; G100-Q254 VanDerWaalsContact N-OE1 3.09Å; G100-Q254 VanDerWaalsContact O-CB 3.3Å; G100-Q254 WeakPolarHBondContact O-CB 3.25Å; G100-Q254 PolarHBondContact O-OE1 3Å |
| 101 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A162 N163 H270 H272 | A101-A162 CarbonylContact O-C 3.54Å; A101-A162 VanDerWaalsContact O-CA 3.31Å; A101-A162 WeakPolarHBondContact O-CA 3.37Å; A101-N163 PolarHBondContact N-O 3.03Å; A101-N163 PolarHBondContact O-N 2.95Å; A101-H270 HydrophobicContact CB-CB 4.27Å; A101-H272 HydrophobicContact CB-CB 3.9Å; A101-H272 VanDerWaalsContact CB-CG 3.47Å |
| 102 | G | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -175.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M115 L161 H272 | G102-M115 PolarHBondContact N-O 3.08Å; G102-M115 WeakPolarHBondContact O-CA 3.5Å; G102-M115 WeakPolarHBondContact O-CB 3.12Å; G102-M115 PolarHBondContact O-N 3.49Å; G102-L161 VanDerWaalsContact CA-O 3.3Å; G102-L161 WeakPolarHBondContact CA-O 3.42Å; G102-H272 PolarHBondContact O-CE1 2.88Å |
| 103 | A | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 146.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F158 G159 L161 M223 | A103-F158 WeakPolarHBondContact O-CB 3.47Å; A103-G159 PolarHBondContact O-N 2.75Å; A103-L161 PolarHBondContact N-O 3.11Å; A103-M223 HydrophobicContact CB-CE 3.95Å |
| 104 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 160 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | S106 V109 A113 M115 F134 G159 | V104-S106 PolarHBondContact O-N 3.27Å; V104-V109 HydrophobicContact CB-CB 4.49Å; V104-V109 HydrophobicContact CB-CG2 3.87Å; V104-V109 HydrophobicContact CG1-CG2 4.43Å; V104-V109 HydrophobicContact CG2-CB 4.06Å; V104-V109 HydrophobicContact CG2-CG1 4.29Å; V104-V109 HydrophobicContact CG2-CG2 3.99Å; V104-A113 HydrophobicContact CB-CB 4.47Å; V104-A113 HydrophobicContact CG1-CB 3.93Å; V104-A113 HydrophobicContact CG2-CB 3.69Å; V104-A113 PolarHBondContact N-O 2.82Å; V104-A113 VanDerWaalsContact N-O 3.1Å; V104-M115 HydrophobicContact CG1-CB 3.88Å; V104-M115 HydrophobicContact CG1-CG 4.27Å; V104-F134 HydrophobicContact CG1-CB 3.59Å; V104-F134 HydrophobicContact CG1-CG 4.28Å; V104-G159 PolarHBondContact O-N 3.02Å |
| 105 | S | 98 | Very high | 98 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -66.1 | 100.4 | 163.2 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | E81 K107 N108 V109 | E81-S105 PolarHBondContact OE1-OG 3.37Å; E81-S105 WeakPolarHBondContact OE2-CB 3.38Å; E81-S105 PolarHBondContact OE2-OG 2.79Å; S105-K107 PolarHBondContact O-N 2.85Å; S105-N108 PolarHBondContact O-N 2.87Å; S105-N108 VanDerWaalsContact O-N 3.12Å; S105-N108 PolarHBondContact OG-N 3.02Å; S105-V109 WeakPolarHBondContact O-CB 3.33Å; S105-V109 WeakPolarHBondContact O-CG2 3.41Å; S105-V109 PolarHBondContact O-N 3.07Å | ||
| 106 | S | 97.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 17.4 Ų | 17.4 | 14% | 0.14 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -25.4 | 179.7 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | V104 G110 M111 | V104-S106 PolarHBondContact O-N 3.27Å; S106-G110 VanDerWaalsContact O-CA 3.22Å; S106-G110 WeakPolarHBondContact O-CA 3.34Å; S106-G110 PolarHBondContact O-N 3.24Å; S106-M111 WeakPolarHBondContact CA-O 3.48Å; S106-M111 PolarHBondContact O-N 3.22Å |
| 107 | K | 95.7 | Very high | 98.1 | Very high | 168 Ų | 168 | 17.4 Ų | 17.4 | 73% | 0.73 | 10% | 0.104 | S | C | * | . | H | α-helix | trans | -66.3 | -41.5 | 174.4 | -176.5 | -177.8 | 175.6 | -173 | 0 | 112.5 | S105 | S105-K107 PolarHBondContact O-N 2.85Å |
| 108 | N | 94.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 17.5 Ų | 17.5 | 30% | 0.299 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -83.8 | -41.9 | -179.6 | -67.5 | -6.1 | 0 | 0 | 0 | 111.6 | S105 F153 D155 D157 | S105-N108 PolarHBondContact O-N 2.87Å; S105-N108 VanDerWaalsContact O-N 3.12Å; S105-N108 PolarHBondContact OG-N 3.02Å; N108-F153 WeakPolarHBondContact O-CE1 3.24Å; N108-D155 PolarHBondContact ND2-OD1 2.83Å; N108-D157 WeakPolarHBondContact ND2-CB 3.25Å; N108-D157 PolarHBondContact ND2-OD2 3.09Å |
| 109 | V | 97.2 | Very high | 98.1 | Very high | 19 Ų | 19 | 17.5 Ų | 17.5 | 12% | 0.115 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -78.4 | -23 | -177.4 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | V104 S105 M111 F134 Y149 F153 | V104-V109 HydrophobicContact CB-CB 4.49Å; V104-V109 HydrophobicContact CB-CG2 3.87Å; V104-V109 HydrophobicContact CG1-CG2 4.43Å; V104-V109 HydrophobicContact CG2-CB 4.06Å; V104-V109 HydrophobicContact CG2-CG1 4.29Å; V104-V109 HydrophobicContact CG2-CG2 3.99Å; S105-V109 WeakPolarHBondContact O-CB 3.33Å; S105-V109 WeakPolarHBondContact O-CG2 3.41Å; S105-V109 PolarHBondContact O-N 3.07Å; V109-M111 VanDerWaalsContact C-N 3.27Å; V109-M111 HydrophobicContact CG1-CE 3.81Å; V109-M111 HydrophobicContact CG1-CG 3.79Å; V109-M111 PolarHBondContact O-N 2.76Å; V109-F134 HydrophobicContact CG1-CE2 4.45Å; V109-Y149 HydrophobicContact CG2-CE2 3.92Å; V109-F153 HydrophobicContact CB-CE2 4.32Å; V109-F153 HydrophobicContact CB-CZ 4.06Å; V109-F153 HydrophobicContact CG1-CE2 4.05Å; V109-F153 HydrophobicContact CG1-CZ 3.93Å; V109-F153 HydrophobicContact CG2-CD2 4.28Å; V109-F153 HydrophobicContact CG2-CE2 3.84Å; V109-F153 HydrophobicContact CG2-CZ 3.99Å |
| 110 | G | 97.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 18.6 Ų | 18.6 | 70% | 0.701 | 11% | 0.11 | S | C | * | . | S | Bend | trans | 78.4 | 8.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S106 | S106-G110 VanDerWaalsContact O-CA 3.22Å; S106-G110 WeakPolarHBondContact O-CA 3.34Å; S106-G110 PolarHBondContact O-N 3.24Å |
| 111 | M | 97.4 | Very high | 98 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -160 | 163.6 | 177.3 | 58.4 | 176.2 | 173.6 | 0 | 0 | 110.4 | S106 V109 F134 R225 | S106-M111 WeakPolarHBondContact CA-O 3.48Å; S106-M111 PolarHBondContact O-N 3.22Å; V109-M111 VanDerWaalsContact C-N 3.27Å; V109-M111 HydrophobicContact CG1-CE 3.81Å; V109-M111 HydrophobicContact CG1-CG 3.79Å; V109-M111 PolarHBondContact O-N 2.76Å; M111-F134 HydrophobicContact CE-CD2 4.36Å; M111-F134 HydrophobicContact CE-CE2 3.64Å; M111-R225 HydrophobicContact CB-CB 4.21Å; M111-R225 HydrophobicContact SD-CG 4.28Å; M111-R225 VanDerWaalsContact SD-CZ 3.56Å; M111-R225 PolarHBondContact SD-NE 3.18Å; M111-R225 PolarHBondContact SD-NH2 3.31Å |
| 112 | N | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | trans | -76.7 | 144.7 | 166.2 | -172.7 | 28 | 0 | 0 | 0 | 111 | M223 P224 R225 F227 | N112-M223 WeakPolarHBondContact ND2-CB 3.42Å; N112-M223 PolarHBondContact ND2-SD 3Å; N112-M223 VanDerWaalsContact OD1-CE 3.29Å; N112-M223 WeakPolarHBondContact OD1-CE 3.36Å; N112-P224 WeakPolarHBondContact CB-O 3.39Å; N112-P224 PolarHBondContact ND2-O 2.97Å; N112-R225 WeakPolarHBondContact CB-O 3.29Å; N112-R225 PolarHBondContact N-O 2.74Å; N112-F227 HydrophobicContact CB-CD1 4.19Å; N112-F227 HydrophobicContact CB-CE1 3.71Å; N112-F227 HydrophobicContact CB-CE2 4.25Å; N112-F227 HydrophobicContact CB-CZ 3.75Å; N112-F227 WeakPolarHBondContact ND2-CE1 3.33Å; N112-F227 WeakPolarHBondContact OD1-CE1 3.45Å | ||
| 113 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -166.4 | 155.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V104 F134 S135 | V104-A113 HydrophobicContact CB-CB 4.47Å; V104-A113 HydrophobicContact CG1-CB 3.93Å; V104-A113 HydrophobicContact CG2-CB 3.69Å; V104-A113 PolarHBondContact N-O 2.82Å; V104-A113 VanDerWaalsContact N-O 3.1Å; A113-F134 HydrophobicContact CB-CD2 4.05Å; A113-S135 WeakPolarHBondContact CA-O 3.4Å; A113-S135 VanDerWaalsContact CB-O 3.28Å; A113-S135 WeakPolarHBondContact CB-O 3.35Å | ||
| 114 | E | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.8 | 170.1 | -52.8 | -52 | 157.3 | 0 | 0 | 110.1 | M116 F134 S135 H221 I222 M223 H272 | E114-M116 HydrophobicContact CB-SD 4.39Å; E114-F134 CarbonylContact O-C 3.41Å; E114-F134 WeakPolarHBondContact O-CA 3.35Å; E114-F134 VanDerWaalsContact O-CB 3.31Å; E114-F134 WeakPolarHBondContact O-CB 3.36Å; E114-S135 PolarHBondContact N-O 3.37Å; E114-S135 PolarHBondContact O-N 3.05Å; E114-H221 IonicContact OE1-CD2 3.15Å; E114-H221 PolarHBondContact OE1-CD2 3.46Å; E114-H221 IonicContact OE1-NE2 2.69Å; E114-I222 HydrophobicContact CG-CB 4.45Å; E114-I222 HydrophobicContact CG-CG2 4.23Å; E114-M223 VanDerWaalsContact OE1-CG 3.24Å; E114-M223 WeakPolarHBondContact OE1-CG 3.39Å; E114-M223 PolarHBondContact OE1-N 3.26Å; E114-M223 WeakPolarHBondContact OE2-CE 3Å; E114-H272 IonicContact OE2-CE1 2.71Å; E114-H272 PolarHBondContact OE2-CE1 3.44Å; E114-H272 IonicContact OE2-NE2 2.76Å |
| 115 | M | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.8 | 177.1 | -167.6 | 178.9 | -175.9 | 0 | 0 | 111.2 | G102 V104 P117 F158 H272 | G102-M115 PolarHBondContact N-O 3.08Å; G102-M115 WeakPolarHBondContact O-CA 3.5Å; G102-M115 WeakPolarHBondContact O-CB 3.12Å; G102-M115 PolarHBondContact O-N 3.49Å; V104-M115 HydrophobicContact CG1-CB 3.88Å; V104-M115 HydrophobicContact CG1-CG 4.27Å; M115-P117 HydrophobicContact CE-CB 4.5Å; M115-P117 VanDerWaalsContact O-CD 3.3Å; M115-P117 WeakPolarHBondContact O-CD 3.41Å; M115-F158 HydrophobicContact SD-CB 3.67Å; M115-H272 PolarHBondContact O-ND1 3Å |
| 116 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 82.3 | 172.9 | -71.2 | 69.7 | 75.6 | 0 | 0 | 108.1 | E114 L118 S132 W133 L146 H272 F274 | E114-M116 HydrophobicContact CB-SD 4.39Å; M116-L118 PolarHBondContact O-N 3.3Å; M116-S132 WeakPolarHBondContact O-CA 3.28Å; M116-S132 WeakPolarHBondContact O-CB 3.34Å; M116-W133 HydrophobicContact CB-CB 4.18Å; M116-W133 HydrophobicContact CE-CB 3.81Å; M116-W133 PolarHBondContact N-O 3.48Å; M116-W133 PolarHBondContact O-N 3.09Å; M116-W133 VanDerWaalsContact O-N 3.09Å; M116-L146 HydrophobicContact CE-CD1 3.24Å; M116-H272 HydrophobicContact CG-CB 3.6Å; M116-H272 HydrophobicContact SD-CB 3.85Å; M116-F274 HydrophobicContact CB-CD1 4.18Å; M116-F274 HydrophobicContact CE-CB 4.05Å; M116-F274 HydrophobicContact CG-CB 4.26Å; M116-F274 HydrophobicContact CG-CD1 4.36Å |
| 117 | P | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -61.4 | 134.7 | -173.4 | 20.6 | -29.6 | 0 | 0 | 0 | 112.5 | M84 L99 G100 M115 S132 L164 Q254 | M84-P117 HydrophobicContact CE-CB 3.9Å; M84-P117 HydrophobicContact CE-CG 4.28Å; L99-P117 VanDerWaalsContact CA-O 3.22Å; L99-P117 WeakPolarHBondContact CA-O 3.27Å; G100-P117 WeakPolarHBondContact O-CD 3.32Å; M115-P117 HydrophobicContact CE-CB 4.5Å; M115-P117 VanDerWaalsContact O-CD 3.3Å; M115-P117 WeakPolarHBondContact O-CD 3.41Å; P117-S132 WeakPolarHBondContact CA-OG 3.42Å; P117-L164 HydrophobicContact CB-CD2 4.32Å; P117-L164 HydrophobicContact CG-CD2 3.59Å; P117-Q254 VanDerWaalsContact O-CD 3.32Å; P117-Q254 PolarHBondContact O-NE2 2.87Å; P117-Q254 PolarHBondContact O-OE1 3.32Å | ||
| 118 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 77.1 | 169.1 | -73.6 | 172.1 | 0 | 0 | 0 | 107.7 | F52 F97 I98 L99 M116 S131 S132 F274 | F52-L118 HydrophobicContact CD1-CD1 3.89Å; F52-L118 HydrophobicContact CD1-CD2 3.63Å; F52-L118 HydrophobicContact CD1-CG 4.43Å; F52-L118 HydrophobicContact CD2-CD2 4.3Å; F52-L118 HydrophobicContact CE1-CD1 3.95Å; F52-L118 HydrophobicContact CE1-CD2 3.57Å; F52-L118 HydrophobicContact CE1-CG 4.43Å; F52-L118 HydrophobicContact CE2-CD2 4.23Å; F52-L118 HydrophobicContact CG-CD2 4.03Å; F52-L118 HydrophobicContact CZ-CD2 3.87Å; F97-L118 HydrophobicContact CE2-CD2 4.21Å; F97-L118 HydrophobicContact CZ-CD2 3.94Å; I98-L118 WeakPolarHBondContact O-CA 3.33Å; L99-L118 HydrophobicContact CB-CD2 4.14Å; M116-L118 PolarHBondContact O-N 3.3Å; L118-S131 WeakPolarHBondContact O-CA 3.42Å; L118-S131 PolarHBondContact O-N 2.91Å; L118-S132 PolarHBondContact N-OG 2.75Å; L118-F274 HydrophobicContact CD1-CE1 3.94Å; L118-F274 HydrophobicContact CD1-CZ 3.8Å |
| 119 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.1 | -170.2 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | M84 F97 I98 T121 V129 N130 S132 C156 | M84-V119 HydrophobicContact CB-CB 4.46Å; M84-V119 HydrophobicContact CB-CG1 4.16Å; M84-V119 HydrophobicContact CG-CG2 4.23Å; F97-V119 CarbonylContact C-O 3.58Å; F97-V119 WeakPolarHBondContact CA-O 3.34Å; I98-V119 PolarHBondContact N-O 2.6Å; I98-V119 PolarHBondContact O-N 2.88Å; V119-T121 HydrophobicContact CG1-CG2 3.98Å; V119-V129 WeakPolarHBondContact CA-O 2.97Å; V119-N130 HydrophobicContact CG2-CB 4.46Å; V119-S132 WeakPolarHBondContact CG2-OG 3.46Å; V119-C156 HydrophobicContact CG1-CB 4.47Å |
| 120 | L | 98.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 101.1 | 160.5 | 179.1 | 65.7 | 0 | 0 | 0 | 107.3 | P53 V54 F97 A128 V129 | P53-L120 HydrophobicContact CB-CB 4.36Å; P53-L120 HydrophobicContact CG-CB 4.26Å; V54-L120 HydrophobicContact CG1-CB 4.45Å; V54-L120 HydrophobicContact CG1-CD1 3.83Å; V54-L120 HydrophobicContact CG1-CD2 4.13Å; V54-L120 HydrophobicContact CG1-CG 4.34Å; F97-L120 HydrophobicContact CB-CD1 4.18Å; L120-A128 CarbonylContact O-C 3.59Å; L120-A128 VanDerWaalsContact O-CA 3.29Å; L120-A128 WeakPolarHBondContact O-CA 3.49Å; L120-V129 HydrophobicContact CB-CB 4.29Å; L120-V129 PolarHBondContact N-O 3.38Å; L120-V129 PolarHBondContact O-N 3.25Å |
| 121 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -65.3 | 162.5 | -171.7 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | M84 N85 S88 G95 A96 I98 V119 R126 | M84-T121 HydrophobicContact CB-CG2 4.22Å; M84-T121 WeakPolarHBondContact O-CG2 3.33Å; N85-T121 WeakPolarHBondContact OD1-CA 3.44Å; N85-T121 VanDerWaalsContact OD1-CB 3.26Å; N85-T121 WeakPolarHBondContact OD1-CB 3.43Å; S88-T121 WeakPolarHBondContact CB-OG1 3.45Å; S88-T121 PolarHBondContact OG-OG1 2.69Å; G95-T121 VanDerWaalsContact CA-OG1 3.29Å; G95-T121 WeakPolarHBondContact CA-OG1 3.26Å; G95-T121 PolarHBondContact N-OG1 3.15Å; A96-T121 PolarHBondContact N-OG1 2.85Å; A96-T121 VanDerWaalsContact N-OG1 3.1Å; A96-T121 PolarHBondContact O-N 3.3Å; A96-T121 PolarHBondContact O-OG1 3.42Å; I98-T121 HydrophobicContact CD1-CG2 3.73Å; I98-T121 HydrophobicContact CG1-CG2 4.26Å; V119-T121 HydrophobicContact CG1-CG2 3.98Å; T121-R126 VanDerWaalsContact O-CZ 3.3Å; T121-R126 PolarHBondContact O-NH1 3.2Å; T121-R126 PolarHBondContact O-NH2 2.86Å | ||
| 122 | E | 97.8 | Very high | 97.8 | Very high | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | trans | -56 | 147.4 | 177.2 | 71.3 | -176.6 | -167.9 | 0 | 0 | 111.9 | N85 K89 G95 A128 | N85-E122 HydrophobicContact CB-CG 3.96Å; N85-E122 PolarHBondContact OD1-N 2.84Å; K89-E122 IonicContact NZ-OE1 3.17Å; K89-E122 PolarHBondContact NZ-OE1 2.7Å; G95-E122 VanDerWaalsContact CA-O 3.26Å; G95-E122 WeakPolarHBondContact CA-O 3.32Å; G95-E122 PolarHBondContact N-O 3.23Å; E122-A128 HydrophobicContact CB-CB 4.33Å | ||
| 123 | A | 96.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -139.9 | 170.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G125 R126 | A123-G125 PolarHBondContact O-N 3.39Å; A123-G125 VanDerWaalsContact O-N 3.08Å; A123-R126 HydrophobicContact CB-CB 4.41Å; A123-R126 PolarHBondContact N-O 3Å; A123-R126 PolarHBondContact O-N 3.35Å |
| 124 | E | 93.8 | Very high | 97.8 | Very high | 204 Ų | 204 | 38.4 Ų | 38.4 | 95% | 0.953 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 119.5 | 176.4 | -170.8 | 176.8 | -175.8 | 0 | 0 | 110.7 | R126 | E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.83Å |
| 125 | G | 93.5 | Very high | 97.8 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 93% | 0.928 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 6.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A123 | A123-G125 PolarHBondContact O-N 3.39Å; A123-G125 VanDerWaalsContact O-N 3.08Å |
| 126 | R | 95.5 | Very high | 97.8 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -134.8 | 117.6 | -179.3 | -174.1 | -179 | 58.8 | 67 | -7.5 | 111.4 | G95 T121 A123 E124 | G95-R126 PolarHBondContact O-NH2 3.18Å; T121-R126 VanDerWaalsContact O-CZ 3.3Å; T121-R126 PolarHBondContact O-NH1 3.2Å; T121-R126 PolarHBondContact O-NH2 2.86Å; A123-R126 HydrophobicContact CB-CB 4.41Å; A123-R126 PolarHBondContact N-O 3Å; A123-R126 PolarHBondContact O-N 3.35Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.83Å |
| 127 | P | 97.5 | Very high | 97.8 | Very high | 104 Ų | 104 | 39 Ų | 39 | 68% | 0.675 | 23% | 0.233 | S | C | * | . | trans | -65.1 | 160.8 | 174.7 | 29.1 | -34.7 | 0 | 0 | 0 | 111.5 | ||||
| 128 | A | 98.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | trans | -64.4 | 146.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | L120 E122 | L120-A128 CarbonylContact O-C 3.59Å; L120-A128 VanDerWaalsContact O-CA 3.29Å; L120-A128 WeakPolarHBondContact O-CA 3.49Å; E122-A128 HydrophobicContact CB-CB 4.33Å | ||
| 129 | V | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 44 Ų | 44 | 38% | 0.376 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 109.2 | 170.4 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | P53 V119 L120 | P53-V129 HydrophobicContact CB-CB 4.46Å; P53-V129 HydrophobicContact CB-CG1 3.95Å; V119-V129 WeakPolarHBondContact CA-O 2.97Å; L120-V129 HydrophobicContact CB-CB 4.29Å; L120-V129 PolarHBondContact N-O 3.38Å; L120-V129 PolarHBondContact O-N 3.25Å |
| 130 | N | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 107.8 | 176.3 | -171.2 | -14 | 0 | 0 | 0 | 108.9 | V119 S132 Y149 S150 D155 | V119-N130 HydrophobicContact CG2-CB 4.46Å; N130-S132 WeakPolarHBondContact OD1-CB 3.39Å; N130-S132 PolarHBondContact OD1-N 3.2Å; N130-S132 PolarHBondContact OD1-OG 2.73Å; N130-Y149 WeakPolarHBondContact ND2-CD1 3.45Å; N130-Y149 WeakPolarHBondContact ND2-CE1 3.48Å; N130-S150 WeakPolarHBondContact O-CB 3.18Å; N130-D155 PolarHBondContact ND2-O 3.05Å |
| 131 | S | 98.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | trans | -109.7 | 21.3 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L118 | L118-S131 WeakPolarHBondContact O-CA 3.42Å; L118-S131 PolarHBondContact O-N 2.91Å | ||
| 132 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -65 | 159.3 | -176.9 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | M116 P117 L118 V119 N130 Y149 | M116-S132 WeakPolarHBondContact O-CA 3.28Å; M116-S132 WeakPolarHBondContact O-CB 3.34Å; P117-S132 WeakPolarHBondContact CA-OG 3.42Å; L118-S132 PolarHBondContact N-OG 2.75Å; V119-S132 WeakPolarHBondContact CG2-OG 3.46Å; N130-S132 WeakPolarHBondContact OD1-CB 3.39Å; N130-S132 PolarHBondContact OD1-N 3.2Å; N130-S132 PolarHBondContact OD1-OG 2.73Å; S132-Y149 WeakPolarHBondContact O-CB 3.27Å; S132-Y149 PolarHBondContact O-N 3.12Å | ||
| 133 | W | 98.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 60 Ų | 60 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 158.8 | 169 | -58.1 | 79.3 | 0 | 0 | 0 | 109.5 | M116 L146 E147 K148 F274 | M116-W133 HydrophobicContact CB-CB 4.18Å; M116-W133 HydrophobicContact CE-CB 3.81Å; M116-W133 PolarHBondContact N-O 3.48Å; M116-W133 PolarHBondContact O-N 3.09Å; M116-W133 VanDerWaalsContact O-N 3.09Å; W133-L146 HydrophobicContact CB-CD1 3.98Å; W133-L146 HydrophobicContact CE3-CD1 4.4Å; W133-L146 HydrophobicContact CE3-CD2 3.98Å; W133-L146 HydrophobicContact CE3-CG 3.85Å; W133-L146 HydrophobicContact CZ3-CD2 4.28Å; W133-L146 HydrophobicContact CZ3-CG 4.41Å; W133-E147 WeakPolarHBondContact CA-O 3.38Å; W133-K148 HydrophobicContact CD2-CG 3.92Å; W133-K148 HydrophobicContact CE3-CB 4.41Å; W133-K148 HydrophobicContact CE3-CG 3.61Å; W133-K148 HydrophobicContact CH2-CD 4.06Å; W133-K148 HydrophobicContact CH2-CG 3.5Å; W133-K148 HydrophobicContact CZ2-CD 4.2Å; W133-K148 HydrophobicContact CZ2-CG 3.77Å; W133-K148 HydrophobicContact CZ3-CB 4.49Å; W133-K148 HydrophobicContact CZ3-CD 4.41Å; W133-K148 HydrophobicContact CZ3-CG 3.4Å; W133-K148 VanDerWaalsContact CZ3-CG 3.4Å; W133-F274 HydrophobicContact CB-CB 4.03Å; W133-F274 HydrophobicContact CB-CG 4.38Å; W133-F274 AromaticContact CD1-CD1 3.99Å; W133-F274 AromaticContact CD1-CD2 3.47Å; W133-F274 VanDerWaalsContact CD1-CD2 3.47Å; W133-F274 AromaticContact CD1-CE2 3.77Å; W133-F274 AromaticContact CD1-CG 3.59Å; W133-F274 HydrophobicContact CD2-CB 4.42Å; W133-F274 AromaticContact CD2-CD2 3.98Å; W133-F274 HydrophobicContact CD2-CD2 3.98Å; W133-F274 HydrophobicContact CD2-CG 4.39Å; W133-F274 AromaticContact CE2-CD2 3.6Å; W133-F274 AromaticContact CE2-CE2 3.88Å; W133-F274 HydrophobicContact CG-CB 3.94Å; W133-F274 AromaticContact CG-CD2 3.9Å; W133-F274 HydrophobicContact CG-CD2 3.9Å; W133-F274 AromaticContact CG-CG 3.89Å; W133-F274 HydrophobicContact CG-CG 3.89Å; W133-F274 HydrophobicContact CZ2-CD2 4.2Å; W133-F274 HydrophobicContact CZ2-CE2 4.36Å; W133-F274 AromaticContact NE1-CD2 3.29Å; W133-F274 VanDerWaalsContact NE1-CD2 3.29Å; W133-F274 AromaticContact NE1-CE2 3.29Å; W133-F274 VanDerWaalsContact NE1-CE2 3.29Å; W133-F274 AromaticContact NE1-CG 3.93Å; W133-F274 AromaticContact NE1-CZ 3.92Å |
| 134 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.5 | 166.1 | 69.1 | -83.6 | 0 | 0 | 0 | 110.5 | V104 V109 M111 A113 E114 E147 Y149 K152 F153 | V104-F134 HydrophobicContact CG1-CB 3.59Å; V104-F134 HydrophobicContact CG1-CG 4.28Å; V109-F134 HydrophobicContact CG1-CE2 4.45Å; M111-F134 HydrophobicContact CE-CD2 4.36Å; M111-F134 HydrophobicContact CE-CE2 3.64Å; A113-F134 HydrophobicContact CB-CD2 4.05Å; E114-F134 CarbonylContact O-C 3.41Å; E114-F134 WeakPolarHBondContact O-CA 3.35Å; E114-F134 VanDerWaalsContact O-CB 3.31Å; E114-F134 WeakPolarHBondContact O-CB 3.36Å; F134-E147 HydrophobicContact CD1-CB 4.4Å; F134-E147 HydrophobicContact CE1-CB 3.72Å; F134-E147 HydrophobicContact CE2-CB 4.22Å; F134-E147 WeakPolarHBondContact CE2-OE2 3.44Å; F134-E147 HydrophobicContact CZ-CB 3.62Å; F134-E147 HydrophobicContact CZ-CG 4.26Å; F134-E147 VanDerWaalsContact CZ-OE2 3.29Å; F134-E147 WeakPolarHBondContact CZ-OE2 3.47Å; F134-E147 PolarHBondContact N-O 2.74Å; F134-E147 PolarHBondContact O-N 2.91Å; F134-Y149 AromaticContact CD1-CD2 3.96Å; F134-Y149 HydrophobicContact CD1-CD2 3.96Å; F134-K152 HydrophobicContact CZ-CD 4.16Å; F134-F153 HydrophobicContact CE1-CD2 4.48Å; F134-F153 HydrophobicContact CE1-CE2 4.06Å; F134-F153 HydrophobicContact CZ-CE2 4.17Å |
| 135 | S | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.7 | -178.7 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | A113 E114 C144 L145 I222 G280 | A113-S135 WeakPolarHBondContact CA-O 3.4Å; A113-S135 VanDerWaalsContact CB-O 3.28Å; A113-S135 WeakPolarHBondContact CB-O 3.35Å; E114-S135 PolarHBondContact N-O 3.37Å; E114-S135 PolarHBondContact O-N 3.05Å; S135-C144 PolarHBondContact OG-SG 2.78Å; S135-L145 WeakPolarHBondContact CA-O 3.44Å; S135-I222 WeakPolarHBondContact O-CG2 3.22Å; S135-I222 WeakPolarHBondContact OG-CD1 3.39Å; S135-G280 VanDerWaalsContact CB-O 3.27Å; S135-G280 WeakPolarHBondContact CB-O 3.26Å; S135-G280 PolarHBondContact OG-O 3.21Å |
| 136 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 168.1 | 178 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | L145 | S136-L145 PolarHBondContact N-O 3.1Å; S136-L145 WeakPolarHBondContact O-CB 3.41Å; S136-L145 PolarHBondContact O-N 2.74Å |
| 137 | I | 98.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.1 | 174.7 | -54.5 | 173.6 | 0 | 0 | 0 | 108.4 | N142 I222 R225 K243 F245 | I137-N142 HydrophobicContact CG2-CB 4.46Å; I137-I222 HydrophobicContact CG1-CB 4.2Å; I137-I222 HydrophobicContact CG1-CG2 3.99Å; I137-R225 WeakPolarHBondContact O-CD 3.43Å; I137-K243 HydrophobicContact CD1-CB 3.42Å; I137-K243 VanDerWaalsContact CD1-CB 3.42Å; I137-K243 HydrophobicContact CD1-CG 3.94Å; I137-K243 HydrophobicContact CG1-CB 4.29Å; I137-F245 HydrophobicContact CG1-CZ 4.37Å |
| 138 | N | 97.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | trans | -63.3 | 122.4 | 175.2 | -174.1 | -41.4 | 0 | 0 | 0 | 110 | D140 N141 N142 Q143 L145 | N138-D140 PolarHBondContact O-N 2.97Å; N138-D140 WeakPolarHBondContact OD1-CB 3.36Å; N138-D140 PolarHBondContact OD1-N 2.76Å; N138-N141 WeakPolarHBondContact CB-OD1 3.49Å; N138-N141 VanDerWaalsContact CG-OD1 3.28Å; N138-N142 WeakPolarHBondContact O-CA 3.2Å; N138-N142 PolarHBondContact O-N 3.07Å; N138-Q143 WeakPolarHBondContact CB-O 3.3Å; N138-Q143 PolarHBondContact N-O 2.92Å; N138-L145 HydrophobicContact CB-CB 4.06Å | ||
| 139 | P | 95.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.3 | -177 | 28.7 | -36.4 | 0 | 0 | 0 | 113.7 | ||
| 140 | D | 96.8 | Very high | 97.7 | Very high | 152 Ų | 152 | 44.3 Ų | 44.3 | 81% | 0.813 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -36.8 | -174.2 | -60.9 | -31.6 | 0 | 0 | 0 | 112.3 | N138 | N138-D140 PolarHBondContact O-N 2.97Å; N138-D140 WeakPolarHBondContact OD1-CB 3.36Å; N138-D140 PolarHBondContact OD1-N 2.76Å |
| 141 | N | 96.2 | Very high | 97.7 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 1.5 | -172.8 | 68.6 | 15 | 0 | 0 | 0 | 114.7 | N138 Q143 | N138-N141 WeakPolarHBondContact CB-OD1 3.49Å; N138-N141 VanDerWaalsContact CG-OD1 3.28Å; N141-Q143 HydrophobicContact CB-CG 4.33Å; N141-Q143 PolarHBondContact O-N 2.78Å; N141-Q143 VanDerWaalsContact O-N 3.13Å; N141-Q143 PolarHBondContact O-NE2 2.83Å; N141-Q143 VanDerWaalsContact OD1-CB 3.26Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.45Å; N141-Q143 WeakPolarHBondContact OD1-CG 3.34Å; N141-Q143 PolarHBondContact OD1-N 3.31Å |
| 142 | N | 95.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | trans | 55.1 | 24.4 | -178.1 | -63 | -66.3 | 0 | 0 | 0 | 114.5 | I137 N138 F245 | I137-N142 HydrophobicContact CG2-CB 4.46Å; N138-N142 WeakPolarHBondContact O-CA 3.2Å; N138-N142 PolarHBondContact O-N 3.07Å; N142-F245 WeakPolarHBondContact O-CE1 3.3Å | ||
| 143 | Q | 96.3 | Very high | 97.6 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -92.3 | 171.3 | 173.3 | -58.6 | -56.8 | -55.7 | 0 | 0 | 111.3 | N138 N141 L145 | N138-Q143 WeakPolarHBondContact CB-O 3.3Å; N138-Q143 PolarHBondContact N-O 2.92Å; N141-Q143 HydrophobicContact CB-CG 4.33Å; N141-Q143 PolarHBondContact O-N 2.78Å; N141-Q143 VanDerWaalsContact O-N 3.13Å; N141-Q143 PolarHBondContact O-NE2 2.83Å; N141-Q143 VanDerWaalsContact OD1-CB 3.26Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.45Å; N141-Q143 WeakPolarHBondContact OD1-CG 3.34Å; N141-Q143 PolarHBondContact OD1-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.06Å |
| 144 | C | 96.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 131.9 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | S135 I222 G278 E279 G280 | S135-C144 PolarHBondContact OG-SG 2.78Å; C144-I222 HydrophobicContact CB-CD1 3.95Å; C144-G278 PolarHBondContact SG-O 2.86Å; C144-E279 VanDerWaalsContact SG-CA 3.6Å; C144-G280 PolarHBondContact SG-N 2.92Å; C144-G280 PolarHBondContact SG-O 2.95Å |
| 145 | L | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 102 | 168.5 | 176.7 | 61.3 | 0 | 0 | 0 | 108.5 | S135 S136 N138 Q143 E147 | S135-L145 WeakPolarHBondContact CA-O 3.44Å; S136-L145 PolarHBondContact N-O 3.1Å; S136-L145 WeakPolarHBondContact O-CB 3.41Å; S136-L145 PolarHBondContact O-N 2.74Å; N138-L145 HydrophobicContact CB-CB 4.06Å; Q143-L145 PolarHBondContact O-N 3.06Å; L145-E147 HydrophobicContact CD1-CG 4.07Å; L145-E147 HydrophobicContact CG-CG 4.04Å |
| 146 | L | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.8 | 176.4 | -177.1 | 74.3 | 0 | 0 | 0 | 110.5 | M116 W133 F274 S275 G278 | M116-L146 HydrophobicContact CE-CD1 3.24Å; W133-L146 HydrophobicContact CB-CD1 3.98Å; W133-L146 HydrophobicContact CE3-CD1 4.4Å; W133-L146 HydrophobicContact CE3-CD2 3.98Å; W133-L146 HydrophobicContact CE3-CG 3.85Å; W133-L146 HydrophobicContact CZ3-CD2 4.28Å; W133-L146 HydrophobicContact CZ3-CG 4.41Å; L146-F274 HydrophobicContact CD1-CB 4.01Å; L146-F274 HydrophobicContact CD2-CB 3.94Å; L146-S275 VanDerWaalsContact CD2-N 3.32Å; L146-S275 VanDerWaalsContact CD2-O 3.24Å; L146-S275 WeakPolarHBondContact CD2-O 3.43Å; L146-G278 VanDerWaalsContact CB-O 3.23Å; L146-G278 WeakPolarHBondContact CB-O 3.11Å; L146-G278 PolarHBondContact N-O 2.76Å |
| 147 | E | 98.3 | Very high | 97.4 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.7 | -177.9 | -57.4 | -173.9 | 100 | 0 | 0 | 111 | W133 F134 L145 K152 | W133-E147 WeakPolarHBondContact CA-O 3.38Å; F134-E147 HydrophobicContact CD1-CB 4.4Å; F134-E147 HydrophobicContact CE1-CB 3.72Å; F134-E147 HydrophobicContact CE2-CB 4.22Å; F134-E147 WeakPolarHBondContact CE2-OE2 3.44Å; F134-E147 HydrophobicContact CZ-CB 3.62Å; F134-E147 HydrophobicContact CZ-CG 4.26Å; F134-E147 VanDerWaalsContact CZ-OE2 3.29Å; F134-E147 WeakPolarHBondContact CZ-OE2 3.47Å; F134-E147 PolarHBondContact N-O 2.74Å; F134-E147 PolarHBondContact O-N 2.91Å; L145-E147 HydrophobicContact CD1-CG 4.07Å; L145-E147 HydrophobicContact CG-CG 4.04Å; E147-K152 WeakPolarHBondContact OE1-CE 3.04Å; E147-K152 IonicContact OE1-NZ 3.88Å; E147-K152 PolarHBondContact OE1-NZ 2.96Å; E147-K152 IonicContact OE2-NZ 2.85Å; E147-K152 PolarHBondContact OE2-NZ 2.92Å |
| 148 | K | 98.4 | Very high | 97.4 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 132.6 | 169.7 | -72.2 | -172.9 | 176.5 | -179 | 0 | 109.4 | W133 S150 D151 | W133-K148 HydrophobicContact CD2-CG 3.92Å; W133-K148 HydrophobicContact CE3-CB 4.41Å; W133-K148 HydrophobicContact CE3-CG 3.61Å; W133-K148 HydrophobicContact CH2-CD 4.06Å; W133-K148 HydrophobicContact CH2-CG 3.5Å; W133-K148 HydrophobicContact CZ2-CD 4.2Å; W133-K148 HydrophobicContact CZ2-CG 3.77Å; W133-K148 HydrophobicContact CZ3-CB 4.49Å; W133-K148 HydrophobicContact CZ3-CD 4.41Å; W133-K148 HydrophobicContact CZ3-CG 3.4Å; W133-K148 VanDerWaalsContact CZ3-CG 3.4Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 2.93Å; K148-D151 HydrophobicContact CB-CB 4.34Å; K148-D151 PolarHBondContact O-N 2.93Å |
| 149 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.5 | -45 | 179.3 | -166 | -94.5 | 0 | 0 | 0 | 111.4 | V109 N130 S132 F134 D151 K152 F153 D155 | V109-Y149 HydrophobicContact CG2-CE2 3.92Å; N130-Y149 WeakPolarHBondContact ND2-CD1 3.45Å; N130-Y149 WeakPolarHBondContact ND2-CE1 3.48Å; S132-Y149 WeakPolarHBondContact O-CB 3.27Å; S132-Y149 PolarHBondContact O-N 3.12Å; F134-Y149 AromaticContact CD1-CD2 3.96Å; F134-Y149 HydrophobicContact CD1-CD2 3.96Å; Y149-D151 PolarHBondContact O-N 2.88Å; Y149-D151 VanDerWaalsContact O-N 3.13Å; Y149-K152 PolarHBondContact O-N 2.85Å; Y149-K152 VanDerWaalsContact O-N 3.08Å; Y149-F153 HydrophobicContact CD1-CB 3.84Å; Y149-F153 HydrophobicContact CD1-CD2 4.46Å; Y149-F153 AromaticContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CE1-CB 3.39Å; Y149-F153 HydrophobicContact CE1-CD2 4.35Å; Y149-F153 HydrophobicContact CE1-CG 4.24Å; Y149-F153 HydrophobicContact CE2-CB 4.22Å; Y149-F153 AromaticContact CE2-CD2 3.69Å; Y149-F153 HydrophobicContact CE2-CD2 3.69Å; Y149-F153 HydrophobicContact CE2-CE2 4.44Å; Y149-F153 HydrophobicContact CE2-CG 4.2Å; Y149-F153 HydrophobicContact CG-CB 4.45Å; Y149-F153 HydrophobicContact CG-CD2 4.25Å; Y149-F153 AromaticContact CZ-CD2 3.95Å; Y149-F153 AromaticContact CZ-CG 3.98Å; Y149-F153 PolarHBondContact O-N 2.79Å; Y149-D155 PolarHBondContact OH-OD1 3.36Å; Y149-D155 PolarHBondContact OH-OD2 2.79Å |
| 150 | S | 97.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 57.2 Ų | 57.2 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.9 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | N130 K148 K152 F153 | N130-S150 WeakPolarHBondContact O-CB 3.18Å; K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 2.93Å; S150-K152 PolarHBondContact O-N 3.13Å; S150-F153 WeakPolarHBondContact CA-O 3.31Å |
| 151 | D | 97.8 | Very high | 97.7 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -77 | -15.4 | 179.7 | -65.4 | -1.7 | 0 | 0 | 0 | 111.1 | K148 Y149 | K148-D151 HydrophobicContact CB-CB 4.34Å; K148-D151 PolarHBondContact O-N 2.93Å; Y149-D151 PolarHBondContact O-N 2.88Å; Y149-D151 VanDerWaalsContact O-N 3.13Å |
| 152 | K | 97.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -32 | -177 | -65.6 | -171.5 | 178.3 | -176.5 | 0 | 114.2 | F134 E147 Y149 S150 | F134-K152 HydrophobicContact CZ-CD 4.16Å; E147-K152 WeakPolarHBondContact OE1-CE 3.04Å; E147-K152 IonicContact OE1-NZ 3.88Å; E147-K152 PolarHBondContact OE1-NZ 2.96Å; E147-K152 IonicContact OE2-NZ 2.85Å; E147-K152 PolarHBondContact OE2-NZ 2.92Å; Y149-K152 PolarHBondContact O-N 2.85Å; Y149-K152 VanDerWaalsContact O-N 3.08Å; S150-K152 PolarHBondContact O-N 3.13Å |
| 153 | F | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 19% | 0.193 | 23% | 0.226 | C | C | . | . | trans | -134 | 150.7 | -169.9 | -48.5 | -71.4 | 0 | 0 | 0 | 110.6 | N108 V109 F134 Y149 S150 | N108-F153 WeakPolarHBondContact O-CE1 3.24Å; V109-F153 HydrophobicContact CB-CE2 4.32Å; V109-F153 HydrophobicContact CB-CZ 4.06Å; V109-F153 HydrophobicContact CG1-CE2 4.05Å; V109-F153 HydrophobicContact CG1-CZ 3.93Å; V109-F153 HydrophobicContact CG2-CD2 4.28Å; V109-F153 HydrophobicContact CG2-CE2 3.84Å; V109-F153 HydrophobicContact CG2-CZ 3.99Å; F134-F153 HydrophobicContact CE1-CD2 4.48Å; F134-F153 HydrophobicContact CE1-CE2 4.06Å; F134-F153 HydrophobicContact CZ-CE2 4.17Å; Y149-F153 HydrophobicContact CD1-CB 3.84Å; Y149-F153 HydrophobicContact CD1-CD2 4.46Å; Y149-F153 AromaticContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CE1-CB 3.39Å; Y149-F153 HydrophobicContact CE1-CD2 4.35Å; Y149-F153 HydrophobicContact CE1-CG 4.24Å; Y149-F153 HydrophobicContact CE2-CB 4.22Å; Y149-F153 AromaticContact CE2-CD2 3.69Å; Y149-F153 HydrophobicContact CE2-CD2 3.69Å; Y149-F153 HydrophobicContact CE2-CE2 4.44Å; Y149-F153 HydrophobicContact CE2-CG 4.2Å; Y149-F153 HydrophobicContact CG-CB 4.45Å; Y149-F153 HydrophobicContact CG-CD2 4.25Å; Y149-F153 AromaticContact CZ-CD2 3.95Å; Y149-F153 AromaticContact CZ-CG 3.98Å; Y149-F153 PolarHBondContact O-N 2.79Å; S150-F153 WeakPolarHBondContact CA-O 3.31Å | ||
| 154 | S | 96.1 | Very high | 98.1 | Very high | 122 Ų | 122 | 37.1 Ų | 37.1 | 85% | 0.853 | 20% | 0.202 | S | C | * | . | trans | -118.2 | -8 | -176.2 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 155 | D | 97.3 | Very high | 98.2 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -77.9 | -175.6 | 175.8 | 62.6 | 83.8 | 0 | 0 | 0 | 112.1 | N108 N130 Y149 D157 | N108-D155 PolarHBondContact ND2-OD1 2.83Å; N130-D155 PolarHBondContact ND2-O 3.05Å; Y149-D155 PolarHBondContact OH-OD1 3.36Å; Y149-D155 PolarHBondContact OH-OD2 2.79Å; D155-D157 WeakPolarHBondContact OD1-CB 3.44Å; D155-D157 PolarHBondContact OD1-N 3.14Å |
| 156 | C | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -130.6 | 34.3 | 176 | -63.6 | 0 | 0 | 0 | 0 | 110 | N83 M84 V119 | N83-C156 WeakPolarHBondContact CA-O 3.26Å; M84-C156 HydrophobicContact CB-CB 4.08Å; M84-C156 PolarHBondContact N-O 2.74Å; V119-C156 HydrophobicContact CG1-CB 4.47Å | ||
| 157 | D | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 150 | -174.7 | -62.1 | -16.4 | 0 | 0 | 0 | 111.3 | Y82 N83 N108 D155 | Y82-D157 CarbonylContact O-C 3.52Å; Y82-D157 WeakPolarHBondContact O-CA 3.33Å; N83-D157 WeakPolarHBondContact CB-OD1 3.46Å; N83-D157 PolarHBondContact ND2-OD1 3.03Å; N108-D157 WeakPolarHBondContact ND2-CB 3.25Å; N108-D157 PolarHBondContact ND2-OD2 3.09Å; D155-D157 WeakPolarHBondContact OD1-CB 3.44Å; D155-D157 PolarHBondContact OD1-N 3.14Å |
| 158 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 158.4 | 172.6 | 69.7 | -86.4 | 0 | 0 | 0 | 109.5 | V66 Y82 M84 V87 A103 M115 A162 | V66-F158 HydrophobicContact CB-CE2 3.97Å; V66-F158 HydrophobicContact CB-CZ 3.96Å; V66-F158 HydrophobicContact CG1-CE2 3.9Å; V66-F158 HydrophobicContact CG1-CZ 3.8Å; V66-F158 HydrophobicContact CG2-CE2 4.47Å; V66-F158 HydrophobicContact CG2-CZ 4.02Å; Y82-F158 VanDerWaalsContact CB-CE1 3.49Å; Y82-F158 AromaticContact CD2-CD2 3.86Å; Y82-F158 HydrophobicContact CD2-CD2 3.86Å; Y82-F158 AromaticContact CD2-CE2 3.46Å; Y82-F158 HydrophobicContact CD2-CE2 3.46Å; Y82-F158 VanDerWaalsContact CD2-CE2 3.46Å; Y82-F158 HydrophobicContact CD2-CZ 4.02Å; Y82-F158 HydrophobicContact CE2-CE2 4.36Å; Y82-F158 HydrophobicContact CG-CD2 4.45Å; Y82-F158 HydrophobicContact CG-CE1 4.5Å; Y82-F158 AromaticContact CG-CE2 3.82Å; Y82-F158 HydrophobicContact CG-CE2 3.82Å; Y82-F158 AromaticContact CG-CZ 3.88Å; Y82-F158 HydrophobicContact CG-CZ 3.88Å; Y82-F158 PolarHBondContact N-O 2.84Å; Y82-F158 PolarHBondContact O-N 3.06Å; M84-F158 HydrophobicContact CE-CD1 3.42Å; M84-F158 VanDerWaalsContact CE-CD1 3.42Å; M84-F158 HydrophobicContact CE-CE1 3.61Å; M84-F158 HydrophobicContact CE-CG 3.98Å; M84-F158 HydrophobicContact CE-CZ 4.32Å; M84-F158 HydrophobicContact CG-CD1 4.09Å; M84-F158 HydrophobicContact CG-CE1 4.21Å; M84-F158 HydrophobicContact SD-CD1 3.88Å; M84-F158 HydrophobicContact SD-CE1 3.59Å; M84-F158 VanDerWaalsContact SD-CE1 3.59Å; M84-F158 HydrophobicContact SD-CZ 4.47Å; V87-F158 HydrophobicContact CG2-CE1 4.01Å; V87-F158 HydrophobicContact CG2-CZ 4.05Å; A103-F158 WeakPolarHBondContact O-CB 3.47Å; M115-F158 HydrophobicContact SD-CB 3.67Å; F158-A162 HydrophobicContact CD2-CB 3.62Å; F158-A162 HydrophobicContact CE2-CB 3.31Å; F158-A162 HydrophobicContact CG-CB 4.46Å; F158-A162 HydrophobicContact CZ-CB 3.94Å |
| 159 | G | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 156.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K80 A103 V104 L161 | K80-G159 WeakPolarHBondContact O-CA 3.32Å; A103-G159 PolarHBondContact O-N 2.75Å; V104-G159 PolarHBondContact O-N 3.02Å; G159-L161 PolarHBondContact O-N 2.91Å |
| 160 | L | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65.2 | -59.6 | 167.1 | -46.4 | 178.4 | 0 | 0 | 0 | 115.9 | G67 G68 Y71 L72 V76 K77 K80 F227 | G67-L160 WeakPolarHBondContact CA-O 3.25Å; G68-L160 PolarHBondContact N-O 2.6Å; G68-L160 VanDerWaalsContact N-O 3.09Å; Y71-L160 WeakPolarHBondContact CD2-O 3.29Å; L72-L160 HydrophobicContact CB-CD1 4.14Å; L72-L160 HydrophobicContact CD1-CD1 3.6Å; L72-L160 HydrophobicContact CG-CD1 4.44Å; V76-L160 HydrophobicContact CG2-CD1 3.79Å; V76-L160 HydrophobicContact CG2-CD2 3.66Å; V76-L160 HydrophobicContact CG2-CG 4.38Å; K77-L160 VanDerWaalsContact O-CD2 3.31Å; K77-L160 WeakPolarHBondContact O-CD2 3.38Å; K80-L160 HydrophobicContact CB-CD2 4.43Å; K80-L160 PolarHBondContact O-N 2.6Å; L160-F227 HydrophobicContact CD1-CE1 3.72Å; L160-F227 HydrophobicContact CD1-CZ 3.92Å |
| 161 | L | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 147.9 | -174 | 63.7 | 93.3 | 0 | 0 | 0 | 112.4 | V66 V69 L72 G102 A103 G159 | V66-L161 CarbonylContact O-C 3.6Å; V66-L161 WeakPolarHBondContact O-CA 3.4Å; V69-L161 HydrophobicContact CB-CD2 4.45Å; V69-L161 HydrophobicContact CG2-CD2 3.96Å; L72-L161 HydrophobicContact CB-CD2 4.43Å; G102-L161 VanDerWaalsContact CA-O 3.3Å; G102-L161 WeakPolarHBondContact CA-O 3.42Å; A103-L161 PolarHBondContact N-O 3.11Å; G159-L161 PolarHBondContact O-N 2.91Å |
| 162 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 139.1 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | V66 A101 F158 L164 | V66-A162 PolarHBondContact N-O 2.82Å; V66-A162 PolarHBondContact O-N 2.93Å; A101-A162 CarbonylContact O-C 3.54Å; A101-A162 VanDerWaalsContact O-CA 3.31Å; A101-A162 WeakPolarHBondContact O-CA 3.37Å; F158-A162 HydrophobicContact CD2-CB 3.62Å; F158-A162 HydrophobicContact CE2-CB 3.31Å; F158-A162 HydrophobicContact CG-CB 4.46Å; F158-A162 HydrophobicContact CZ-CB 3.94Å; A162-L164 HydrophobicContact CB-CD1 4.03Å; A162-L164 HydrophobicContact CB-CD2 3.93Å; A162-L164 HydrophobicContact CB-CG 3.84Å |
| 163 | N | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.5 | 170.6 | -63.9 | 103 | 0 | 0 | 0 | 108.2 | T64 D65 G100 A101 V256 H270 | T64-N163 WeakPolarHBondContact O-CA 3.45Å; D65-N163 PolarHBondContact OD2-ND2 2.89Å; G100-N163 WeakPolarHBondContact CA-O 3.32Å; A101-N163 PolarHBondContact N-O 3.03Å; A101-N163 PolarHBondContact O-N 2.95Å; N163-V256 HydrophobicContact CB-CB 4.35Å; N163-H270 HydrophobicContact CB-CB 3.84Å; N163-H270 PolarHBondContact OD1-ND1 3.35Å |
| 164 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143 | -163.6 | -56 | 171.1 | 0 | 0 | 0 | 111.6 | I63 T64 V66 M84 V87 I98 L99 P117 A162 | I63-L164 CarbonylContact C-O 3.55Å; I63-L164 WeakPolarHBondContact CA-O 3.31Å; T64-L164 PolarHBondContact N-O 2.7Å; T64-L164 PolarHBondContact O-N 2.95Å; V66-L164 HydrophobicContact CG2-CD1 4.36Å; M84-L164 HydrophobicContact CE-CD1 3.72Å; M84-L164 HydrophobicContact CE-CD2 3.66Å; M84-L164 HydrophobicContact CE-CG 4.33Å; M84-L164 HydrophobicContact SD-CD1 3.54Å; M84-L164 VanDerWaalsContact SD-CD1 3.54Å; M84-L164 HydrophobicContact SD-CD2 4.38Å; V87-L164 HydrophobicContact CG1-CD1 4.35Å; I98-L164 HydrophobicContact CG2-CB 3.96Å; I98-L164 HydrophobicContact CG2-CD1 4.02Å; I98-L164 HydrophobicContact CG2-CD2 3.88Å; I98-L164 HydrophobicContact CG2-CG 4.17Å; L99-L164 CarbonylContact O-C 3.46Å; L99-L164 WeakPolarHBondContact O-CA 3.26Å; P117-L164 HydrophobicContact CB-CD2 4.32Å; P117-L164 HydrophobicContact CG-CD2 3.59Å; A162-L164 HydrophobicContact CB-CD1 4.03Å; A162-L164 HydrophobicContact CB-CD2 3.93Å; A162-L164 HydrophobicContact CB-CG 3.84Å |
| 165 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.5 | 163.2 | 172.8 | -101 | 0 | 0 | 0 | 108.8 | L57 P61 I63 I98 L99 C167 M299 | L57-Y165 HydrophobicContact CB-CE1 4.25Å; L57-Y165 HydrophobicContact CD2-CE1 4.24Å; L57-Y165 PolarHBondContact O-OH 2.9Å; P61-Y165 HydrophobicContact CB-CE2 3.72Å; P61-Y165 WeakPolarHBondContact CB-OH 3.43Å; I63-Y165 HydrophobicContact CG2-CD2 4.32Å; I98-Y165 WeakPolarHBondContact CA-O 3.46Å; L99-Y165 HydrophobicContact CD1-CD1 4.24Å; L99-Y165 HydrophobicContact CD1-CG 4.46Å; L99-Y165 HydrophobicContact CD2-CD1 4.4Å; L99-Y165 HydrophobicContact CG-CD1 4.1Å; L99-Y165 PolarHBondContact N-O 3.05Å; L99-Y165 PolarHBondContact O-N 2.93Å; Y165-C167 HydrophobicContact CE1-CB 3.83Å; Y165-M299 HydrophobicContact CE2-CB 4.2Å; Y165-M299 VanDerWaalsContact OH-CB 3.26Å; Y165-M299 WeakPolarHBondContact OH-CB 3.19Å |
| 166 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P61 R62 L91 L93 A96 F97 I98 | P61-A166 WeakPolarHBondContact CA-O 3.11Å; R62-A166 HydrophobicContact CG-CB 3.91Å; R62-A166 PolarHBondContact N-O 2.6Å; R62-A166 PolarHBondContact O-N 3.48Å; L91-A166 HydrophobicContact CD1-CB 3.64Å; L93-A166 HydrophobicContact CD2-CB 4.48Å; A96-A166 HydrophobicContact CB-CB 4.35Å; F97-A166 VanDerWaalsContact O-CA 3.31Å; F97-A166 WeakPolarHBondContact O-CA 3.41Å; I98-A166 HydrophobicContact CG1-CB 4.05Å |
| 167 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 179.4 | 177.1 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | L57 G59 A96 F97 Y165 G169 | L57-C167 VanDerWaalsContact C-SG 3.58Å; L57-C167 WeakPolarHBondContact O-CB 3.49Å; L57-C167 PolarHBondContact O-SG 3.29Å; L57-C167 VanDerWaalsContact O-SG 3.41Å; G59-C167 CarbonylContact O-C 3.55Å; G59-C167 VanDerWaalsContact O-CA 3.32Å; G59-C167 WeakPolarHBondContact O-CA 3.4Å; G59-C167 WeakPolarHBondContact O-CB 3.49Å; A96-C167 CarbonylContact C-O 3.55Å; A96-C167 WeakPolarHBondContact CA-O 3.38Å; F97-C167 PolarHBondContact N-O 3.45Å; F97-C167 PolarHBondContact O-N 2.94Å; Y165-C167 HydrophobicContact CE1-CB 3.83Å; C167-G169 VanDerWaalsContact C-N 3.26Å; C167-G169 PolarHBondContact O-N 3.41Å; C167-G169 PolarHBondContact SG-N 2.79Å; C167-G169 VanDerWaalsContact SG-N 3.39Å |
| 168 | E | 98.8 | Very high | 98.7 | Very high | 58 Ų | 58 | 24.4 Ų | 24.4 | 27% | 0.271 | 12% | 0.124 | S | C | . | . | trans | -80.4 | -2.3 | 175.6 | -61.2 | 176.2 | 149.5 | 0 | 0 | 113.4 | C58 G59 L93 K170 | C58-E168 PolarHBondContact O-N 3.03Å; G59-E168 WeakPolarHBondContact CA-OE2 3.19Å; G59-E168 PolarHBondContact O-N 3.29Å; L93-E168 HydrophobicContact CD1-CG 4Å; E168-K170 VanDerWaalsContact C-N 3.28Å; E168-K170 HydrophobicContact CB-CD 4.07Å; E168-K170 HydrophobicContact CB-CG 4.04Å; E168-K170 PolarHBondContact O-N 3.11Å; E168-K170 IonicContact OE1-NZ 3.56Å; E168-K170 WeakPolarHBondContact OE2-CD 3.42Å; E168-K170 WeakPolarHBondContact OE2-CE 3.25Å; E168-K170 IonicContact OE2-NZ 2.75Å; E168-K170 PolarHBondContact OE2-NZ 3.02Å | ||
| 169 | G | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | trans | 70.9 | 19.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G56 C58 C167 | G56-G169 PolarHBondContact N-O 3.39Å; G56-G169 CarbonylContact O-C 3.54Å; G56-G169 VanDerWaalsContact O-CA 3.27Å; G56-G169 WeakPolarHBondContact O-CA 3.4Å; C58-G169 PolarHBondContact O-N 2.84Å; C167-G169 VanDerWaalsContact C-N 3.26Å; C167-G169 PolarHBondContact O-N 3.41Å; C167-G169 PolarHBondContact SG-N 2.79Å; C167-G169 VanDerWaalsContact SG-N 3.39Å | ||
| 170 | K | 98.7 | Very high | 98.8 | Very high | 105 Ų | 105 | 28 Ų | 28 | 46% | 0.457 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -83.5 | 153.4 | -173.1 | -67.7 | 176.2 | 179.9 | 166.8 | 0 | 111.8 | G56 L57 C58 E168 | G56-K170 CarbonylContact C-O 3.53Å; G56-K170 WeakPolarHBondContact CA-O 3.19Å; L57-K170 PolarHBondContact N-O 2.67Å; C58-K170 HydrophobicContact CB-CB 4.45Å; C58-K170 VanDerWaalsContact CB-O 3.26Å; C58-K170 WeakPolarHBondContact CB-O 3.35Å; C58-K170 PolarHBondContact N-O 3.12Å; C58-K170 PolarHBondContact O-N 2.75Å; E168-K170 VanDerWaalsContact C-N 3.28Å; E168-K170 HydrophobicContact CB-CD 4.07Å; E168-K170 HydrophobicContact CB-CG 4.04Å; E168-K170 PolarHBondContact O-N 3.11Å; E168-K170 IonicContact OE1-NZ 3.56Å; E168-K170 WeakPolarHBondContact OE2-CD 3.42Å; E168-K170 WeakPolarHBondContact OE2-CE 3.25Å; E168-K170 IonicContact OE2-NZ 2.75Å; E168-K170 PolarHBondContact OE2-NZ 3.02Å |
| 171 | P | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 33.5 Ų | 33.5 | 57% | 0.565 | 16% | 0.16 | S | C | * | . | trans | -59.5 | 158.7 | 160.1 | -18.6 | 31.6 | 0 | 0 | 0 | 111.3 | K55 | K55-P171 HydrophobicContact CB-CG 4Å; K55-P171 HydrophobicContact CD-CG 4.48Å | ||
| 172 | G | 98.5 | Very high | 98.8 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | trans | 159.7 | -169.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C42 | C42-G172 VanDerWaalsContact CB-O 3.31Å; C42-G172 WeakPolarHBondContact CB-O 3.48Å; C42-G172 PolarHBondContact N-O 3.23Å | ||
| 173 | K | 98.7 | Very high | 98.8 | Very high | 103 Ų | 103 | 40 Ų | 40 | 45% | 0.448 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.5 | 176.3 | -64.4 | -57.6 | -172.6 | -170.1 | 0 | 111.4 | L17 V39 V40 D41 C58 | L17-K173 HydrophobicContact CD1-CB 4.29Å; V39-K173 HydrophobicContact CG1-CB 3.8Å; V39-K173 HydrophobicContact CG1-CD 4.2Å; V39-K173 HydrophobicContact CG1-CG 4.2Å; V40-K173 CarbonylContact O-C 3.53Å; V40-K173 VanDerWaalsContact O-CA 3.25Å; V40-K173 WeakPolarHBondContact O-CA 3.39Å; D41-K173 WeakPolarHBondContact OD1-CD 3.32Å; D41-K173 VanDerWaalsContact OD1-CE 3.24Å; D41-K173 WeakPolarHBondContact OD1-CE 3.21Å; D41-K173 IonicContact OD1-NZ 3.8Å; D41-K173 PolarHBondContact OD1-NZ 2.8Å; D41-K173 IonicContact OD2-NZ 3.73Å; D41-K173 PolarHBondContact OD2-NZ 3.15Å; C58-K173 PolarHBondContact SG-O 3.18Å |
| 174 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 163.3 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | V39 V40 C42 L57 Y297 M299 | V39-V174 WeakPolarHBondContact CA-O 3.48Å; V40-V174 HydrophobicContact CG2-CG2 3.9Å; V40-V174 PolarHBondContact N-O 3.25Å; V40-V174 PolarHBondContact O-N 3.06Å; C42-V174 HydrophobicContact CB-CB 4.48Å; C42-V174 HydrophobicContact CB-CG1 3.71Å; C42-V174 HydrophobicContact CB-CG2 3.91Å; L57-V174 HydrophobicContact CB-CG1 4.47Å; V174-Y297 HydrophobicContact CG2-CD1 3.89Å; V174-M299 HydrophobicContact CB-SD 4.14Å; V174-M299 HydrophobicContact CG1-CG 4.04Å; V174-M299 HydrophobicContact CG1-SD 3.79Å |
| 175 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.2 | 170.2 | -59.4 | 177 | 0 | 0 | 0 | 108.1 | L17 L20 L24 V37 V177 Y297 F298 | L17-I175 HydrophobicContact CD2-CD1 4.06Å; L17-I175 HydrophobicContact CD2-CG1 4.06Å; L20-I175 HydrophobicContact CB-CD1 4.33Å; L20-I175 HydrophobicContact CD2-CD1 3.71Å; L20-I175 HydrophobicContact CG-CD1 3.94Å; L24-I175 HydrophobicContact CD1-CD1 4.43Å; L24-I175 HydrophobicContact CD1-CG2 4.33Å; V37-I175 HydrophobicContact CG1-CG2 3.4Å; V37-I175 VanDerWaalsContact CG1-CG2 3.4Å; I175-V177 HydrophobicContact CG2-CG2 4.04Å; I175-Y297 CarbonylContact O-C 3.39Å; I175-Y297 VanDerWaalsContact O-CA 3.3Å; I175-Y297 WeakPolarHBondContact O-CA 3.46Å; I175-F298 PolarHBondContact N-O 2.94Å; I175-F298 PolarHBondContact O-N 2.88Å |
| 176 | E | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.093 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.4 | 166.8 | -177.2 | -176.5 | 85.7 | 0 | 0 | 109.6 | V37 C38 V40 R178 L295 G296 Y297 | V37-E176 VanDerWaalsContact CA-O 3.28Å; V37-E176 WeakPolarHBondContact CA-O 3.49Å; V37-E176 WeakPolarHBondContact CG1-O 3.31Å; C38-E176 PolarHBondContact N-O 2.86Å; C38-E176 PolarHBondContact O-N 2.9Å; V40-E176 HydrophobicContact CB-CB 4.47Å; V40-E176 HydrophobicContact CG1-CB 3.98Å; V40-E176 HydrophobicContact CG2-CB 3.63Å; E176-R178 VanDerWaalsContact CD-NE 3.29Å; E176-R178 VanDerWaalsContact CD-NH2 3.34Å; E176-R178 HydrophobicContact CG-CG 4.36Å; E176-R178 IonicContact OE1-CZ 2.73Å; E176-R178 IonicContact OE1-NE 3.52Å; E176-R178 PolarHBondContact OE1-NE 3.34Å; E176-R178 IonicContact OE1-NH2 3.97Å; E176-R178 PolarHBondContact OE1-NH2 3.46Å; E176-R178 IonicContact OE2-CZ 3.42Å; E176-R178 IonicContact OE2-NE 3.52Å; E176-R178 IonicContact OE2-NH2 3.09Å; E176-R178 PolarHBondContact OE2-NH2 3.04Å; E176-L295 HydrophobicContact CG-CD1 3.81Å; E176-G296 CarbonylContact C-O 3.56Å; E176-G296 VanDerWaalsContact CA-O 3.3Å; E176-G296 WeakPolarHBondContact CA-O 3.08Å; E176-Y297 HydrophobicContact CB-CD1 4.15Å; E176-Y297 HydrophobicContact CB-CE1 4.04Å; E176-Y297 HydrophobicContact CG-CD1 4.27Å; E176-Y297 HydrophobicContact CG-CE1 3.79Å |
| 177 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.7 | 175 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L28 V37 I175 L188 L192 L295 G296 F298 | L28-V177 HydrophobicContact CD1-CG1 3.58Å; V37-V177 HydrophobicContact CG1-CG2 4.02Å; V37-V177 HydrophobicContact CG2-CG1 4.41Å; V37-V177 HydrophobicContact CG2-CG2 4.27Å; I175-V177 HydrophobicContact CG2-CG2 4.04Å; V177-L188 HydrophobicContact CG1-CD1 4.14Å; V177-L192 HydrophobicContact CG2-CD2 4.34Å; V177-L295 CarbonylContact O-C 3.58Å; V177-L295 WeakPolarHBondContact O-CA 3.41Å; V177-G296 PolarHBondContact N-O 3.38Å; V177-G296 PolarHBondContact O-N 2.81Å; V177-F298 HydrophobicContact CB-CD2 4.36Å; V177-F298 HydrophobicContact CB-CE2 4.16Å; V177-F298 HydrophobicContact CG2-CD2 3.78Å; V177-F298 HydrophobicContact CG2-CE2 3.99Å |
| 178 | R | 98.9 | Very high | 98.7 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.2 | 169.3 | -65.8 | 176 | -175.9 | -87.9 | -7.2 | 108.4 | A35 Q36 E176 Y294 L295 | A35-R178 CarbonylContact C-O 3.59Å; A35-R178 WeakPolarHBondContact CA-O 3.38Å; Q36-R178 HydrophobicContact CB-CB 4.42Å; Q36-R178 PolarHBondContact N-O 3.14Å; Q36-R178 PolarHBondContact O-N 3.08Å; E176-R178 VanDerWaalsContact CD-NE 3.29Å; E176-R178 VanDerWaalsContact CD-NH2 3.34Å; E176-R178 HydrophobicContact CG-CG 4.36Å; E176-R178 IonicContact OE1-CZ 2.73Å; E176-R178 IonicContact OE1-NE 3.52Å; E176-R178 PolarHBondContact OE1-NE 3.34Å; E176-R178 IonicContact OE1-NH2 3.97Å; E176-R178 PolarHBondContact OE1-NH2 3.46Å; E176-R178 IonicContact OE2-CZ 3.42Å; E176-R178 IonicContact OE2-NE 3.52Å; E176-R178 IonicContact OE2-NH2 3.09Å; E176-R178 PolarHBondContact OE2-NH2 3.04Å; R178-Y294 WeakPolarHBondContact CA-O 3.35Å; R178-L295 HydrophobicContact CG-CD1 3.83Å |
| 179 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F32 D34 L188 Y294 | F32-A179 HydrophobicContact CB-CB 4.3Å; F32-A179 HydrophobicContact CD1-CB 3.93Å; F32-A179 HydrophobicContact CD2-CB 4.07Å; F32-A179 HydrophobicContact CE1-CB 4.28Å; F32-A179 HydrophobicContact CE2-CB 4.4Å; F32-A179 HydrophobicContact CG-CB 3.83Å; D34-A179 CarbonylContact O-C 3.6Å; D34-A179 WeakPolarHBondContact O-CA 3.46Å; A179-L188 HydrophobicContact CB-CD1 3.93Å; A179-Y294 HydrophobicContact CB-CD2 4.43Å; A179-Y294 PolarHBondContact N-O 2.86Å; A179-Y294 PolarHBondContact O-N 2.79Å |
| 180 | K | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.4 | 179 | -49.9 | -173.2 | -179.1 | -155.2 | 0 | 110.3 | A33 D34 V292 E293 | A33-K180 PolarHBondContact N-O 2.78Å; D34-K180 HydrophobicContact CB-CB 4.19Å; D34-K180 PolarHBondContact N-O 3.16Å; D34-K180 PolarHBondContact O-N 3.04Å; K180-V292 WeakPolarHBondContact CA-O 3.33Å; K180-E293 HydrophobicContact CB-CG 4.3Å; K180-E293 HydrophobicContact CD-CG 3.87Å; K180-E293 VanDerWaalsContact CE-OE2 3.27Å; K180-E293 WeakPolarHBondContact CE-OE2 3.49Å; K180-E293 HydrophobicContact CG-CB 4.28Å; K180-E293 HydrophobicContact CG-CG 3.93Å; K180-E293 IonicContact NZ-OE1 2.75Å; K180-E293 IonicContact NZ-OE2 2.88Å; K180-E293 PolarHBondContact NZ-OE2 3.19Å |
| 181 | R | 98.7 | Very high | 98.6 | Very high | 119 Ų | 119 | 44.4 Ų | 44.4 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 88.1 | 173.3 | -53.9 | -174.7 | -72.3 | 168 | -1.3 | 111.7 | F32 A33 D34 I183 P289 D290 V292 | F32-R181 WeakPolarHBondContact CA-O 3.43Å; A33-R181 HydrophobicContact CB-CB 4.03Å; A33-R181 PolarHBondContact N-O 2.83Å; D34-R181 VanDerWaalsContact CG-NH2 3.28Å; D34-R181 IonicContact OD1-NH2 2.68Å; D34-R181 PolarHBondContact OD1-NH2 2.76Å; D34-R181 VanDerWaalsContact OD1-NH2 3.15Å; D34-R181 IonicContact OD2-CZ 3.17Å; D34-R181 IonicContact OD2-NE 3.37Å; D34-R181 PolarHBondContact OD2-NE 3.4Å; D34-R181 IonicContact OD2-NH2 3.35Å; D34-R181 PolarHBondContact OD2-NH2 3.48Å; R181-I183 PolarHBondContact O-N 3.02Å; R181-P289 CarbonylContact C-O 3.45Å; R181-P289 WeakPolarHBondContact CA-O 3.06Å; R181-D290 WeakPolarHBondContact CG-O 3.45Å; R181-V292 PolarHBondContact N-O 2.86Å |
| 182 | R | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.2 | 179.5 | -174.9 | 172.6 | 51.2 | 86.6 | -3.7 | 109.9 | N31 F32 G184 E186 D286 P289 V292 | N31-R182 CarbonylContact O-C 3.37Å; N31-R182 WeakPolarHBondContact O-CA 3.37Å; N31-R182 WeakPolarHBondContact O-CG 3.31Å; F32-R182 HydrophobicContact CD1-CB 3.92Å; F32-R182 HydrophobicContact CD1-CG 4.42Å; F32-R182 HydrophobicContact CE1-CB 3.64Å; F32-R182 HydrophobicContact CE1-CG 4.01Å; F32-R182 HydrophobicContact CZ-CB 4.39Å; F32-R182 HydrophobicContact CZ-CG 4.29Å; R182-G184 WeakPolarHBondContact CG-O 3.3Å; R182-G184 PolarHBondContact NH1-O 3.18Å; R182-E186 WeakPolarHBondContact CD-O 3.43Å; R182-D286 WeakPolarHBondContact CD-OD1 3.39Å; R182-D286 IonicContact CZ-OD1 2.96Å; R182-D286 IonicContact CZ-OD2 2.74Å; R182-D286 VanDerWaalsContact NE-CG 3.28Å; R182-D286 IonicContact NE-OD1 3.56Å; R182-D286 PolarHBondContact NE-OD1 3.5Å; R182-D286 IonicContact NE-OD2 3.63Å; R182-D286 PolarHBondContact NE-OD2 2.97Å; R182-D286 PolarHBondContact NH2-O 2.84Å; R182-D286 VanDerWaalsContact NH2-O 3.14Å; R182-D286 IonicContact NH2-OD1 3.63Å; R182-D286 IonicContact NH2-OD2 2.67Å; R182-D286 PolarHBondContact NH2-OD2 2.79Å; R182-P289 HydrophobicContact CB-CB 3.98Å; R182-P289 PolarHBondContact N-O 3.12Å; R182-P289 WeakPolarHBondContact O-CB 3.27Å; R182-V292 HydrophobicContact CB-CG1 4.26Å |
| 183 | I | 98.7 | Very high | 98.7 | Very high | 113 Ų | 113 | 40.3 Ų | 40.3 | 58% | 0.579 | 18% | 0.184 | S | C | * | . | trans | -113.2 | -13.9 | 178.8 | 59.6 | 170.5 | 0 | 0 | 0 | 112.9 | N31 A33 R181 | N31-I183 WeakPolarHBondContact O-CG1 3.48Å; N31-I183 PolarHBondContact O-N 3.44Å; A33-I183 HydrophobicContact CB-CG2 3.94Å; R181-I183 PolarHBondContact O-N 3.02Å | ||
| 184 | G | 97.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -107.8 | -173.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N31 R182 | N31-G184 PolarHBondContact O-N 3Å; N31-G184 VanDerWaalsContact O-N 3.07Å; N31-G184 WeakPolarHBondContact OD1-CA 3.42Å; R182-G184 WeakPolarHBondContact CG-O 3.3Å; R182-G184 PolarHBondContact NH1-O 3.18Å |
| 185 | E | 97.8 | Very high | 98.6 | Very high | 172 Ų | 172 | 39.1 Ų | 39.1 | 80% | 0.804 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -88 | -19 | -173.3 | -61.2 | -173.1 | 164.2 | 0 | 0 | 113.3 | N31 I285 | N31-E185 PolarHBondContact OD1-N 2.99Å; E185-I285 WeakPolarHBondContact O-CD1 3.28Å |
| 186 | E | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 27% | 0.271 | 18% | 0.181 | S | C | . | . | trans | -80.2 | 144.4 | -171.3 | -55.7 | -60.5 | 162.6 | 0 | 0 | 112.5 | N31 R182 A191 K194 | N31-E186 PolarHBondContact ND2-O 2.97Å; N31-E186 WeakPolarHBondContact OD1-CB 3.21Å; N31-E186 PolarHBondContact OD1-N 2.98Å; R182-E186 WeakPolarHBondContact CD-O 3.43Å; E186-A191 HydrophobicContact CB-CB 3.94Å; E186-K194 VanDerWaalsContact CD-CD 3.5Å; E186-K194 HydrophobicContact CG-CD 4.26Å; E186-K194 WeakPolarHBondContact OE1-CD 3.31Å; E186-K194 IonicContact OE1-NZ 3.1Å; E186-K194 PolarHBondContact OE1-NZ 2.85Å; E186-K194 WeakPolarHBondContact OE2-CD 3.44Å; E186-K194 WeakPolarHBondContact OE2-CE 3.36Å; E186-K194 IonicContact OE2-NZ 2.84Å; E186-K194 PolarHBondContact OE2-NZ 2.8Å | ||
| 187 | S | 98.5 | Very high | 98.6 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -64.8 | 166 | 163.6 | 82.6 | 0 | 0 | 0 | 0 | 110.4 | V189 G190 A191 Y284 | S187-V189 PolarHBondContact O-N 2.8Å; S187-V189 PolarHBondContact OG-N 3.16Å; S187-G190 PolarHBondContact O-N 3.06Å; S187-G190 PolarHBondContact OG-N 3.39Å; S187-A191 WeakPolarHBondContact O-CB 3.44Å; S187-A191 PolarHBondContact O-N 2.9Å; S187-Y284 WeakPolarHBondContact CB-O 3.4Å | ||
| 188 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.2 | -46.7 | 173.4 | 178.2 | 69 | 0 | 0 | 0 | 111.8 | L28 F32 V177 A179 A191 L192 F211 Y294 | L28-L188 HydrophobicContact CD2-CD1 3.94Å; F32-L188 HydrophobicContact CE2-CD1 4.23Å; F32-L188 HydrophobicContact CZ-CB 4.29Å; F32-L188 HydrophobicContact CZ-CD1 4.31Å; V177-L188 HydrophobicContact CG1-CD1 4.14Å; A179-L188 HydrophobicContact CB-CD1 3.93Å; L188-A191 PolarHBondContact O-N 3.14Å; L188-L192 HydrophobicContact CD1-CD1 4.5Å; L188-L192 HydrophobicContact CG-CD1 4.24Å; L188-L192 VanDerWaalsContact O-CG 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.26Å; L188-L192 PolarHBondContact O-N 3.41Å; L188-F211 HydrophobicContact CD2-CB 4.4Å; L188-F211 HydrophobicContact CD2-CD1 4.46Å; L188-F211 HydrophobicContact CD2-CD2 3.9Å; L188-F211 HydrophobicContact CD2-CE2 4.25Å; L188-F211 HydrophobicContact CD2-CG 4.01Å; L188-Y294 HydrophobicContact CB-CD1 4.33Å; L188-Y294 HydrophobicContact CB-CD2 4.44Å; L188-Y294 HydrophobicContact CB-CE1 4.18Å; L188-Y294 HydrophobicContact CB-CE2 4.32Å; L188-Y294 HydrophobicContact CB-CG 4.44Å; L188-Y294 HydrophobicContact CD2-CD1 3.72Å; L188-Y294 HydrophobicContact CD2-CE1 4.31Å; L188-Y294 HydrophobicContact CD2-CG 3.82Å; L188-Y294 HydrophobicContact CG-CG 4.5Å |
| 189 | V | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -44.5 | -177.2 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | S187 A191 L192 R193 F211 S255 M257 E269 | S187-V189 PolarHBondContact O-N 2.8Å; S187-V189 PolarHBondContact OG-N 3.16Å; V189-A191 VanDerWaalsContact C-N 3.35Å; V189-A191 PolarHBondContact O-N 3.29Å; V189-L192 PolarHBondContact O-N 3.26Å; V189-R193 WeakPolarHBondContact O-CB 3.35Å; V189-R193 PolarHBondContact O-N 2.86Å; V189-F211 HydrophobicContact CG2-CE1 3.78Å; V189-F211 HydrophobicContact CG2-CZ 4.17Å; V189-S255 WeakPolarHBondContact CG2-OG 3.21Å; V189-M257 HydrophobicContact CB-CE 4.42Å; V189-M257 HydrophobicContact CG1-CB 4.09Å; V189-M257 HydrophobicContact CG1-CE 3.82Å; V189-M257 HydrophobicContact CG1-SD 4.15Å; V189-M257 HydrophobicContact CG2-CE 4.31Å; V189-E269 HydrophobicContact CG1-CB 4.23Å; V189-E269 HydrophobicContact CG1-CG 4.16Å |
| 190 | G | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S187 R193 K194 E269 | S187-G190 PolarHBondContact O-N 3.06Å; S187-G190 PolarHBondContact OG-N 3.39Å; G190-R193 PolarHBondContact O-N 2.79Å; G190-K194 VanDerWaalsContact O-CB 3.29Å; G190-K194 WeakPolarHBondContact O-CB 3.29Å; G190-K194 WeakPolarHBondContact O-CG 3.45Å; G190-K194 PolarHBondContact O-N 2.72Å; G190-E269 WeakPolarHBondContact CA-OE2 3.33Å; G190-E269 PolarHBondContact N-OE2 3.46Å |
| 191 | A | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 N31 F32 E186 S187 L188 V189 T195 | L28-A191 HydrophobicContact CD2-CB 3.87Å; N31-A191 HydrophobicContact CB-CB 4.25Å; F32-A191 HydrophobicContact CE2-CB 4.28Å; E186-A191 HydrophobicContact CB-CB 3.94Å; S187-A191 WeakPolarHBondContact O-CB 3.44Å; S187-A191 PolarHBondContact O-N 2.9Å; L188-A191 PolarHBondContact O-N 3.14Å; V189-A191 VanDerWaalsContact C-N 3.35Å; V189-A191 PolarHBondContact O-N 3.29Å; A191-T195 VanDerWaalsContact O-CB 3.24Å; A191-T195 WeakPolarHBondContact O-CB 3.46Å; A191-T195 PolarHBondContact O-N 3.04Å; A191-T195 PolarHBondContact O-OG1 2.83Å |
| 192 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 176.3 | -70.6 | 171 | 0 | 0 | 0 | 111.4 | L24 L28 V177 L188 V189 T195 M196 M257 F298 | L24-L192 HydrophobicContact CB-CD2 4.21Å; L24-L192 HydrophobicContact CD1-CD2 4.19Å; L24-L192 HydrophobicContact CD2-CD2 3.82Å; L24-L192 HydrophobicContact CG-CD2 4.28Å; L28-L192 HydrophobicContact CD1-CD2 3.87Å; L28-L192 HydrophobicContact CD2-CD2 4.15Å; L28-L192 HydrophobicContact CD2-CG 4.31Å; L28-L192 HydrophobicContact CG-CD2 4.1Å; V177-L192 HydrophobicContact CG2-CD2 4.34Å; L188-L192 HydrophobicContact CD1-CD1 4.5Å; L188-L192 HydrophobicContact CG-CD1 4.24Å; L188-L192 VanDerWaalsContact O-CG 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.26Å; L188-L192 PolarHBondContact O-N 3.41Å; V189-L192 PolarHBondContact O-N 3.26Å; L192-T195 PolarHBondContact O-N 3.19Å; L192-M196 WeakPolarHBondContact O-CG 3.43Å; L192-M196 PolarHBondContact O-N 3.14Å; L192-M196 VanDerWaalsContact O-N 3.15Å; L192-M257 HydrophobicContact CB-SD 3.71Å; L192-M257 HydrophobicContact CD1-CE 4.15Å; L192-M257 HydrophobicContact CD1-SD 4.24Å; L192-F298 HydrophobicContact CD1-CE2 3.98Å; L192-F298 HydrophobicContact CD1-CZ 4.14Å |
| 193 | R | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -52.6 | -178.9 | -171.6 | -160.2 | 61.5 | 78.1 | 0.2 | 111.8 | V189 G190 T195 M196 E197 M257 V258 S259 E269 | V189-R193 WeakPolarHBondContact O-CB 3.35Å; V189-R193 PolarHBondContact O-N 2.86Å; G190-R193 PolarHBondContact O-N 2.79Å; R193-T195 VanDerWaalsContact C-N 3.28Å; R193-T195 PolarHBondContact O-N 2.73Å; R193-M196 PolarHBondContact O-N 3.2Å; R193-M196 VanDerWaalsContact O-N 3.11Å; R193-E197 IonicContact CZ-OE2 2.74Å; R193-E197 IonicContact NH1-OE2 3.37Å; R193-E197 PolarHBondContact NH1-OE2 2.8Å; R193-E197 IonicContact NH2-OE2 2.6Å; R193-E197 PolarHBondContact O-N 2.97Å; R193-M257 HydrophobicContact CB-CB 4.45Å; R193-V258 WeakPolarHBondContact CD-O 3.3Å; R193-V258 VanDerWaalsContact CG-O 3.29Å; R193-V258 WeakPolarHBondContact CG-O 3.36Å; R193-S259 PolarHBondContact NH1-O 2.87Å; R193-S259 VanDerWaalsContact NH1-O 3.1Å; R193-E269 HydrophobicContact CB-CG 4.38Å; R193-E269 WeakPolarHBondContact CD-OE1 3.35Å; R193-E269 HydrophobicContact CG-CG 4.44Å; R193-E269 IonicContact CZ-OE1 3.75Å; R193-E269 IonicContact NE-OE1 2.86Å; R193-E269 PolarHBondContact NE-OE1 3.16Å; R193-E269 IonicContact NH2-OE1 2.75Å |
| 194 | K | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | -179.5 | -73.4 | 174.8 | 172.4 | 171 | 0 | 111.4 | E186 G190 M196 E197 E198 | E186-K194 VanDerWaalsContact CD-CD 3.5Å; E186-K194 HydrophobicContact CG-CD 4.26Å; E186-K194 WeakPolarHBondContact OE1-CD 3.31Å; E186-K194 IonicContact OE1-NZ 3.1Å; E186-K194 PolarHBondContact OE1-NZ 2.85Å; E186-K194 WeakPolarHBondContact OE2-CD 3.44Å; E186-K194 WeakPolarHBondContact OE2-CE 3.36Å; E186-K194 IonicContact OE2-NZ 2.84Å; E186-K194 PolarHBondContact OE2-NZ 2.8Å; G190-K194 VanDerWaalsContact O-CB 3.29Å; G190-K194 WeakPolarHBondContact O-CB 3.29Å; G190-K194 WeakPolarHBondContact O-CG 3.45Å; G190-K194 PolarHBondContact O-N 2.72Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.74Å; K194-E197 PolarHBondContact O-N 2.93Å; K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 VanDerWaalsContact O-CG 3.32Å; K194-E198 WeakPolarHBondContact O-CG 3.4Å; K194-E198 PolarHBondContact O-N 2.75Å |
| 195 | T | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.4 | -60 | 0 | 0 | 0 | 0 | 112.2 | V23 L24 G27 A191 L192 R193 H199 | V23-T195 HydrophobicContact CG1-CG2 3.93Å; V23-T195 WeakPolarHBondContact O-CG2 3.44Å; L24-T195 HydrophobicContact CD2-CG2 4.42Å; G27-T195 WeakPolarHBondContact CA-OG1 3.29Å; A191-T195 VanDerWaalsContact O-CB 3.24Å; A191-T195 WeakPolarHBondContact O-CB 3.46Å; A191-T195 PolarHBondContact O-N 3.04Å; A191-T195 PolarHBondContact O-OG1 2.83Å; L192-T195 PolarHBondContact O-N 3.19Å; R193-T195 VanDerWaalsContact C-N 3.28Å; R193-T195 PolarHBondContact O-N 2.73Å; T195-H199 WeakPolarHBondContact O-CB 3.44Å; T195-H199 PolarHBondContact O-N 2.91Å; T195-H199 VanDerWaalsContact O-N 3.13Å |
| 196 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 176 | -68.2 | -172.6 | -68.2 | 0 | 0 | 112 | L20 L24 L192 R193 K194 H199 Y200 L205 L207 M257 | L20-M196 HydrophobicContact CD1-CG 4.24Å; L20-M196 HydrophobicContact CD1-SD 4.38Å; L24-M196 HydrophobicContact CD2-CG 3.75Å; L24-M196 HydrophobicContact CD2-SD 4.48Å; L192-M196 WeakPolarHBondContact O-CG 3.43Å; L192-M196 PolarHBondContact O-N 3.14Å; L192-M196 VanDerWaalsContact O-N 3.15Å; R193-M196 PolarHBondContact O-N 3.2Å; R193-M196 VanDerWaalsContact O-N 3.11Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.74Å; M196-H199 PolarHBondContact O-N 3.06Å; M196-Y200 WeakPolarHBondContact O-CD2 3.41Å; M196-Y200 PolarHBondContact O-N 2.95Å; M196-L205 HydrophobicContact SD-CB 4.14Å; M196-L205 HydrophobicContact SD-CD2 4.43Å; M196-L207 HydrophobicContact CE-CB 4.41Å; M196-L207 HydrophobicContact CE-CD1 3.78Å; M196-L207 HydrophobicContact CE-CG 3.78Å; M196-L207 HydrophobicContact SD-CD1 3.71Å; M196-L207 HydrophobicContact SD-CD2 4.44Å; M196-L207 HydrophobicContact SD-CG 3.68Å; M196-M257 HydrophobicContact CE-CG 4.1Å; M196-M257 HydrophobicContact CE-SD 4.28Å |
| 197 | E | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.7 | -176 | 177.8 | -161.7 | 0 | 0 | 111.8 | R193 K194 Y200 P201 R260 | R193-E197 IonicContact CZ-OE2 2.74Å; R193-E197 IonicContact NH1-OE2 3.37Å; R193-E197 PolarHBondContact NH1-OE2 2.8Å; R193-E197 IonicContact NH2-OE2 2.6Å; R193-E197 PolarHBondContact O-N 2.97Å; K194-E197 PolarHBondContact O-N 2.93Å; E197-Y200 CarbonylContact O-C 3.54Å; E197-P201 WeakPolarHBondContact O-CA 3.27Å; E197-R260 IonicContact OE1-NH1 3.67Å |
| 198 | E | 98.4 | Very high | 98.3 | Very high | 148 Ų | 148 | 34.3 Ų | 34.3 | 69% | 0.692 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -66.8 | -39.7 | 179.9 | -72.2 | 172.7 | -171.8 | 0 | 0 | 112.4 | K194 | K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 VanDerWaalsContact O-CG 3.32Å; K194-E198 WeakPolarHBondContact O-CG 3.4Å; K194-E198 PolarHBondContact O-N 2.75Å |
| 199 | H | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -77.4 | -32.6 | -177.1 | -165.3 | 73.6 | 0 | 0 | 0 | 113.1 | V23 T195 M196 P201 | V23-H199 HydrophobicContact CG1-CB 3.61Å; V23-H199 VanDerWaalsContact CG2-CD2 3.4Å; V23-H199 WeakPolarHBondContact CG2-CD2 3.29Å; V23-H199 WeakPolarHBondContact CG2-NE2 3.43Å; T195-H199 WeakPolarHBondContact O-CB 3.44Å; T195-H199 PolarHBondContact O-N 2.91Å; T195-H199 VanDerWaalsContact O-N 3.13Å; M196-H199 PolarHBondContact O-N 3.06Å; H199-P201 VanDerWaalsContact C-CD 3.45Å; H199-P201 WeakPolarHBondContact O-CD 3.36Å |
| 200 | Y | 97.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -121.4 | 67.1 | -178.2 | -55.8 | -78.4 | 0 | 0 | 0 | 111 | Y13 P15 E19 L20 V23 M196 E197 D202 K203 L205 | Y13-Y200 HydrophobicContact CD1-CD1 4.28Å; Y13-Y200 HydrophobicContact CD1-CE1 4.47Å; Y13-Y200 AromaticContact CE1-CD1 3.77Å; Y13-Y200 HydrophobicContact CE1-CD1 3.77Å; Y13-Y200 AromaticContact CE1-CE1 3.65Å; Y13-Y200 HydrophobicContact CE1-CE1 3.65Å; P15-Y200 HydrophobicContact CG-CE1 4.31Å; P15-Y200 HydrophobicContact CG-CE2 4.1Å; E19-Y200 PolarHBondContact OE1-OH 3.28Å; L20-Y200 HydrophobicContact CD1-CE2 4.3Å; V23-Y200 HydrophobicContact CG1-CE2 4.28Å; M196-Y200 WeakPolarHBondContact O-CD2 3.41Å; M196-Y200 PolarHBondContact O-N 2.95Å; E197-Y200 CarbonylContact O-C 3.54Å; Y200-D202 VanDerWaalsContact C-N 3.26Å; Y200-D202 PolarHBondContact O-N 3.5Å; Y200-D202 VanDerWaalsContact O-N 3.12Å; Y200-K203 HydrophobicContact CD1-CD 4.31Å; Y200-K203 PolarHBondContact O-N 3.12Å; Y200-K203 VanDerWaalsContact O-N 3.09Å; Y200-K203 VanDerWaalsContact O-O 3.12Å; Y200-L205 HydrophobicContact CD2-CD1 3.83Å; Y200-L205 HydrophobicContact CD2-CD2 3.54Å; Y200-L205 HydrophobicContact CD2-CG 4.38Å; Y200-L205 HydrophobicContact CE2-CD2 3.67Å; Y200-L205 HydrophobicContact CG-CD1 3.82Å; Y200-L205 HydrophobicContact CG-CD2 4.19Å |
| 201 | P | 95.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 40% | 0.403 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32.3 | -167 | 22.9 | -34.7 | 0 | 0 | 0 | 114 | E197 H199 R260 | E197-P201 WeakPolarHBondContact O-CA 3.27Å; H199-P201 VanDerWaalsContact C-CD 3.45Å; H199-P201 WeakPolarHBondContact O-CD 3.36Å; P201-R260 VanDerWaalsContact O-CZ 3.28Å; P201-R260 PolarHBondContact O-NE 2.99Å; P201-R260 PolarHBondContact O-NH2 2.78Å |
| 202 | D | 96.3 | Very high | 98.3 | Very high | 155 Ų | 155 | 34.6 Ų | 34.6 | 83% | 0.829 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 9.7 | -176.4 | -54.4 | -51.9 | 0 | 0 | 0 | 113.5 | Y200 | Y200-D202 VanDerWaalsContact C-N 3.26Å; Y200-D202 PolarHBondContact O-N 3.5Å; Y200-D202 VanDerWaalsContact O-N 3.12Å |
| 203 | K | 97.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | trans | -127.1 | 140.2 | -176.3 | -51 | -178.4 | -174.4 | 168.8 | 0 | 110.5 | Y13 Y200 L205 | Y13-K203 HydrophobicContact CD1-CB 4.13Å; Y13-K203 HydrophobicContact CD1-CD 3.34Å; Y13-K203 HydrophobicContact CD1-CG 4.37Å; Y13-K203 HydrophobicContact CD2-CD 3.74Å; Y13-K203 HydrophobicContact CE1-CD 3.51Å; Y13-K203 HydrophobicContact CE2-CD 3.93Å; Y13-K203 HydrophobicContact CG-CB 4.11Å; Y13-K203 HydrophobicContact CG-CD 3.45Å; Y13-K203 VanDerWaalsContact CG-CD 3.45Å; Y13-K203 HydrophobicContact CG-CG 4.31Å; Y13-K203 PolarHBondContact OH-NZ 3.37Å; Y200-K203 HydrophobicContact CD1-CD 4.31Å; Y200-K203 PolarHBondContact O-N 3.12Å; Y200-K203 VanDerWaalsContact O-N 3.09Å; Y200-K203 VanDerWaalsContact O-O 3.12Å; K203-L205 HydrophobicContact CB-CD1 3.9Å; K203-L205 WeakPolarHBondContact O-CD1 3.36Å | ||
| 204 | S | 98.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | trans | -95 | 119 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | L12 Y13 R260 | L12-S204 WeakPolarHBondContact CD2-O 3.46Å; Y13-S204 PolarHBondContact N-O 3.19Å; S204-R260 VanDerWaalsContact CB-O 3.31Å; S204-R260 WeakPolarHBondContact CB-O 3.19Å; S204-R260 PolarHBondContact OG-O 3.37Å | ||
| 205 | L | 98.3 | Very high | 98.3 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -115.7 | 152 | 176.1 | -65.9 | 81.3 | 0 | 0 | 0 | 108 | Y13 P15 M196 Y200 K203 V258 S259 | Y13-L205 HydrophobicContact CD1-CD1 4Å; Y13-L205 HydrophobicContact CD1-CD2 4.09Å; Y13-L205 HydrophobicContact CD1-CG 4Å; P15-L205 HydrophobicContact CG-CD2 3.51Å; M196-L205 HydrophobicContact SD-CB 4.14Å; M196-L205 HydrophobicContact SD-CD2 4.43Å; Y200-L205 HydrophobicContact CD2-CD1 3.83Å; Y200-L205 HydrophobicContact CD2-CD2 3.54Å; Y200-L205 HydrophobicContact CD2-CG 4.38Å; Y200-L205 HydrophobicContact CE2-CD2 3.67Å; Y200-L205 HydrophobicContact CG-CD1 3.82Å; Y200-L205 HydrophobicContact CG-CD2 4.19Å; K203-L205 HydrophobicContact CB-CD1 3.9Å; K203-L205 WeakPolarHBondContact O-CD1 3.36Å; L205-V258 CarbonylContact O-C 3.53Å; L205-V258 WeakPolarHBondContact O-CA 3.26Å; L205-S259 PolarHBondContact N-OG 2.88Å; L205-S259 PolarHBondContact O-N 2.76Å; L205-S259 PolarHBondContact O-OG 3.1Å | ||
| 206 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | L12 I63 M257 V258 P300 A301 | L12-A206 HydrophobicContact CD1-CB 3.65Å; I63-A206 HydrophobicContact CD1-CB 3.37Å; I63-A206 HydrophobicContact CG1-CB 3.86Å; I63-A206 HydrophobicContact CG2-CB 4.29Å; A206-M257 CarbonylContact C-O 3.58Å; A206-M257 WeakPolarHBondContact CA-O 3.38Å; A206-M257 VanDerWaalsContact CB-O 3.29Å; A206-M257 WeakPolarHBondContact CB-O 3.41Å; A206-V258 HydrophobicContact CB-CB 4.44Å; A206-V258 HydrophobicContact CB-CG1 4.42Å; A206-V258 HydrophobicContact CB-CG2 4Å; A206-P300 VanDerWaalsContact O-CA 3.32Å; A206-P300 WeakPolarHBondContact O-CA 3.17Å; A206-A301 HydrophobicContact CB-CB 4.31Å; A206-A301 PolarHBondContact O-N 3.15Å |
| 207 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.3 | 170.3 | -65.9 | 178.1 | 0 | 0 | 0 | 109 | L20 L24 M196 M257 M299 P300 | L20-L207 HydrophobicContact CD2-CD2 4.05Å; L24-L207 HydrophobicContact CD1-CD1 4.04Å; M196-L207 HydrophobicContact CE-CB 4.41Å; M196-L207 HydrophobicContact CE-CD1 3.78Å; M196-L207 HydrophobicContact CE-CG 3.78Å; M196-L207 HydrophobicContact SD-CD1 3.71Å; M196-L207 HydrophobicContact SD-CD2 4.44Å; M196-L207 HydrophobicContact SD-CG 3.68Å; L207-M257 HydrophobicContact CB-CE 4.42Å; L207-M257 HydrophobicContact CB-CG 3.81Å; L207-M257 HydrophobicContact CB-SD 4.11Å; L207-M257 HydrophobicContact CD1-SD 4.28Å; L207-M257 PolarHBondContact N-O 2.84Å; L207-M257 PolarHBondContact O-N 2.81Å; L207-M299 WeakPolarHBondContact CA-O 3.16Å; L207-P300 HydrophobicContact CD2-CB 4.12Å |
| 208 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S255 F298 M299 | G208-S255 WeakPolarHBondContact CA-O 3.48Å; G208-F298 WeakPolarHBondContact O-CA 3.47Å; G208-M299 PolarHBondContact N-O 3.03Å; G208-M299 VanDerWaalsContact N-O 3.09Å; G208-M299 PolarHBondContact O-N 2.6Å |
| 209 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160 | -154.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L99 S255 Y297 | L99-G209 VanDerWaalsContact CD1-O 3.29Å; L99-G209 WeakPolarHBondContact CD1-O 3.4Å; G209-S255 PolarHBondContact N-O 2.77Å; G209-S255 VanDerWaalsContact N-O 3.13Å; G209-S255 PolarHBondContact O-N 3.07Å; G209-Y297 WeakPolarHBondContact CA-O 3.38Å |
| 210 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.8 | -177 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | F50 F52 L57 C253 G296 Y297 | F50-T210 HydrophobicContact CD1-CG2 3.98Å; F50-T210 HydrophobicContact CE1-CG2 3.66Å; F50-T210 HydrophobicContact CZ-CG2 4.27Å; F52-T210 HydrophobicContact CE2-CG2 3.93Å; F52-T210 HydrophobicContact CZ-CG2 4.11Å; L57-T210 HydrophobicContact CD1-CG2 4.32Å; T210-C253 CarbonylContact C-O 3.55Å; T210-C253 WeakPolarHBondContact CA-O 3.48Å; T210-C253 PolarHBondContact OG1-O 3.05Å; T210-C253 VanDerWaalsContact OG1-O 3.14Å; T210-G296 CarbonylContact O-C 3.01Å; T210-G296 WeakPolarHBondContact O-CA 3.35Å; T210-Y297 PolarHBondContact N-O 3.35Å; T210-Y297 PolarHBondContact O-N 3.01Å |
| 211 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.4 | 168.1 | 70.7 | -90.5 | 0 | 0 | 0 | 112 | L188 V189 I213 C253 T271 Y283 Y294 L295 G296 F298 | L188-F211 HydrophobicContact CD2-CB 4.4Å; L188-F211 HydrophobicContact CD2-CD1 4.46Å; L188-F211 HydrophobicContact CD2-CD2 3.9Å; L188-F211 HydrophobicContact CD2-CE2 4.25Å; L188-F211 HydrophobicContact CD2-CG 4.01Å; V189-F211 HydrophobicContact CG2-CE1 3.78Å; V189-F211 HydrophobicContact CG2-CZ 4.17Å; F211-I213 HydrophobicContact CD2-CG1 4.27Å; F211-I213 HydrophobicContact CE2-CD1 4.25Å; F211-I213 HydrophobicContact CE2-CG1 3.84Å; F211-C253 HydrophobicContact CD1-CB 3.85Å; F211-C253 HydrophobicContact CD2-CB 3.91Å; F211-C253 HydrophobicContact CE1-CB 3.49Å; F211-C253 VanDerWaalsContact CE1-CB 3.49Å; F211-C253 HydrophobicContact CE2-CB 3.54Å; F211-C253 HydrophobicContact CG-CB 4.06Å; F211-C253 HydrophobicContact CZ-CB 3.33Å; F211-C253 PolarHBondContact N-O 2.99Å; F211-C253 WeakPolarHBondContact O-CB 3.46Å; F211-C253 PolarHBondContact O-N 2.71Å; F211-T271 HydrophobicContact CE1-CG2 3.64Å; F211-T271 HydrophobicContact CZ-CG2 3.83Å; F211-Y283 HydrophobicContact CZ-CE1 4.39Å; F211-Y294 AromaticContact CD2-CD1 3.89Å; F211-Y294 HydrophobicContact CD2-CD1 3.89Å; F211-Y294 HydrophobicContact CD2-CE1 4.35Å; F211-Y294 AromaticContact CE2-CD1 3.94Å; F211-Y294 HydrophobicContact CE2-CD1 3.94Å; F211-Y294 AromaticContact CE2-CE1 3.92Å; F211-Y294 HydrophobicContact CE2-CE1 3.92Å; F211-L295 CarbonylContact C-O 3.53Å; F211-L295 WeakPolarHBondContact CA-O 3.3Å; F211-G296 VanDerWaalsContact CB-CA 3.46Å; F211-F298 HydrophobicContact CB-CE2 4.46Å; F211-F298 HydrophobicContact CB-CZ 3.95Å; F211-F298 HydrophobicContact CD1-CE1 4.35Å; F211-F298 AromaticContact CD1-CZ 3.91Å; F211-F298 HydrophobicContact CD1-CZ 3.91Å; F211-F298 HydrophobicContact CG-CZ 4.31Å |
| 212 | L | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.068 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.4 | 178.4 | -179.7 | 65.8 | 0 | 0 | 0 | 108.6 | P49 Q214 P250 L251 I252 Y294 L295 | P49-L212 HydrophobicContact CG-CD1 4.12Å; P49-L212 HydrophobicContact CG-CD2 3.66Å; P49-L212 HydrophobicContact CG-CG 4.5Å; L212-Q214 HydrophobicContact CB-CG 4.36Å; L212-Q214 HydrophobicContact CD2-CG 3.68Å; L212-Q214 HydrophobicContact CG-CG 3.79Å; L212-Q214 PolarHBondContact O-N 3.1Å; L212-P250 HydrophobicContact CD1-CB 4.11Å; L212-L251 CarbonylContact C-O 3.48Å; L212-L251 WeakPolarHBondContact CA-O 3.37Å; L212-L251 WeakPolarHBondContact CD1-O 3.49Å; L212-I252 HydrophobicContact CD1-CG1 4.08Å; L212-Y294 WeakPolarHBondContact O-CA 3.4Å; L212-L295 PolarHBondContact N-O 2.64Å; L212-L295 PolarHBondContact O-N 2.92Å |
| 213 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 101.8 | 159.3 | -47.9 | -171 | 0 | 0 | 0 | 105.6 | F211 K215 A218 A249 P250 L251 Y283 V292 E293 Y294 | F211-I213 HydrophobicContact CD2-CG1 4.27Å; F211-I213 HydrophobicContact CE2-CD1 4.25Å; F211-I213 HydrophobicContact CE2-CG1 3.84Å; I213-K215 WeakPolarHBondContact CG2-O 3.31Å; I213-A218 HydrophobicContact CD1-CB 3.9Å; I213-A249 HydrophobicContact CG2-CB 4.13Å; I213-A249 WeakPolarHBondContact O-CB 3.42Å; I213-P250 VanDerWaalsContact O-CA 3.26Å; I213-P250 WeakPolarHBondContact O-CA 3.45Å; I213-L251 HydrophobicContact CB-CB 4.14Å; I213-L251 HydrophobicContact CD1-CB 4.35Å; I213-L251 HydrophobicContact CD1-CD1 4.1Å; I213-L251 HydrophobicContact CG1-CB 4.23Å; I213-L251 PolarHBondContact N-O 3.32Å; I213-L251 PolarHBondContact O-N 3.28Å; I213-L251 VanDerWaalsContact O-N 3.13Å; I213-Y283 HydrophobicContact CD1-CD2 4.16Å; I213-Y283 HydrophobicContact CD1-CE2 3.84Å; I213-V292 HydrophobicContact CG2-CG2 4.07Å; I213-E293 CarbonylContact C-O 3.59Å; I213-Y294 HydrophobicContact CD1-CE1 3.95Å; I213-Y294 HydrophobicContact CG1-CD1 3.97Å; I213-Y294 HydrophobicContact CG1-CE1 3.71Å; I213-Y294 HydrophobicContact CG2-CE1 4.39Å |
| 214 | Q | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 20.4 Ų | 20.4 | 32% | 0.322 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -35.2 | -175 | -60.9 | -170.2 | -77.6 | 0 | 0 | 112 | L212 E293 L295 | L212-Q214 HydrophobicContact CB-CG 4.36Å; L212-Q214 HydrophobicContact CD2-CG 3.68Å; L212-Q214 HydrophobicContact CG-CG 3.79Å; L212-Q214 PolarHBondContact O-N 3.1Å; Q214-E293 HydrophobicContact CB-CB 4.11Å; Q214-E293 PolarHBondContact N-O 3.45Å; Q214-L295 HydrophobicContact CG-CB 4.17Å |
| 215 | K | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 23.9 Ų | 23.9 | 49% | 0.487 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159 | 178.9 | -62.8 | -170 | -167 | 159.7 | 0 | 110.5 | I213 V292 E293 | I213-K215 WeakPolarHBondContact CG2-O 3.31Å; K215-V292 WeakPolarHBondContact O-CA 3.23Å; K215-E293 HydrophobicContact CB-CB 4.15Å; K215-E293 HydrophobicContact CB-CG 4.19Å; K215-E293 HydrophobicContact CD-CG 4.2Å; K215-E293 VanDerWaalsContact CD-OE1 3.27Å; K215-E293 WeakPolarHBondContact CD-OE1 3.5Å; K215-E293 VanDerWaalsContact CE-OE1 3.25Å; K215-E293 WeakPolarHBondContact CE-OE1 3.34Å; K215-E293 HydrophobicContact CG-CB 4.42Å; K215-E293 HydrophobicContact CG-CG 4.36Å; K215-E293 IonicContact NZ-OE1 3.18Å; K215-E293 PolarHBondContact NZ-OE1 3.01Å; K215-E293 PolarHBondContact O-N 3.29Å |
| 216 | G | 98.6 | Very high | 98.6 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 95.2 | -162.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A249 T288 | G216-A249 VanDerWaalsContact O-CB 3.26Å; G216-A249 WeakPolarHBondContact O-CB 3.44Å; G216-A249 PolarHBondContact O-N 2.93Å; G216-T288 WeakPolarHBondContact CA-OG1 3.31Å |
| 217 | K | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 32.3 Ų | 32.3 | 34% | 0.335 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 160.6 | 178.9 | -58.2 | -172.2 | -173.6 | -174.2 | 0 | 110.9 | E246 V247 D286 T287 T288 | K217-E246 HydrophobicContact CB-CG 3.98Å; K217-E246 VanDerWaalsContact CD-CD 3.48Å; K217-E246 HydrophobicContact CD-CG 3.74Å; K217-E246 WeakPolarHBondContact CD-OE1 3.44Å; K217-E246 IonicContact NZ-OE1 3.69Å; K217-E246 PolarHBondContact NZ-OE1 2.89Å; K217-V247 CarbonylContact C-O 3.54Å; K217-V247 WeakPolarHBondContact CA-O 3.45Å; K217-V247 VanDerWaalsContact CB-O 3.25Å; K217-V247 WeakPolarHBondContact CB-O 3.22Å; K217-D286 CarbonylContact O-C 3.59Å; K217-D286 WeakPolarHBondContact O-CA 3.27Å; K217-D286 WeakPolarHBondContact O-CB 3.18Å; K217-T287 WeakPolarHBondContact CB-OG1 3.29Å; K217-T287 PolarHBondContact O-N 2.82Å; K217-T288 HydrophobicContact CB-CG2 3.95Å; K217-T288 HydrophobicContact CD-CG2 4.28Å; K217-T288 HydrophobicContact CG-CG2 3.95Å; K217-T288 PolarHBondContact N-OG1 2.9Å |
| 218 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I213 E246 V247 L251 Y283 I285 | I213-A218 HydrophobicContact CD1-CB 3.9Å; A218-E246 WeakPolarHBondContact O-CA 3.38Å; A218-V247 HydrophobicContact CB-CG2 4.36Å; A218-V247 PolarHBondContact N-O 2.79Å; A218-V247 WeakPolarHBondContact O-CG2 3.22Å; A218-V247 PolarHBondContact O-N 2.82Å; A218-L251 HydrophobicContact CB-CD1 4.02Å; A218-Y283 HydrophobicContact CB-CD2 3.96Å; A218-Y283 HydrophobicContact CB-CE2 3.97Å; A218-I285 CarbonylContact C-O 3.38Å; A218-I285 WeakPolarHBondContact CA-O 3.43Å |
| 219 | K | 98.8 | Very high | 98.4 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.8 | 165.7 | -178.9 | -177.5 | 173 | -169.3 | 0 | 108.1 | H244 F245 Y284 I285 T287 | K219-H244 WeakPolarHBondContact CE-CD2 3.25Å; K219-F245 WeakPolarHBondContact CA-O 3.42Å; K219-Y284 HydrophobicContact CD-CD2 4.39Å; K219-Y284 HydrophobicContact CD-CG 4.48Å; K219-Y284 HydrophobicContact CG-CD2 4.15Å; K219-Y284 PolarHBondContact O-N 3.14Å; K219-I285 PolarHBondContact N-O 3.1Å; K219-T287 HydrophobicContact CB-CG2 3.78Å |
| 220 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 166 | 171.5 | 67.9 | 166.6 | 0 | 0 | 0 | 111.1 | H244 F245 V247 G280 H282 | I220-H244 CarbonylContact O-C 3.49Å; I220-H244 WeakPolarHBondContact O-CA 3.3Å; I220-F245 HydrophobicContact CD1-CB 4.38Å; I220-F245 HydrophobicContact CG1-CB 3.83Å; I220-F245 HydrophobicContact CG1-CD2 4.5Å; I220-F245 PolarHBondContact N-O 3.39Å; I220-F245 PolarHBondContact O-N 3.09Å; I220-V247 HydrophobicContact CB-CG2 4.37Å; I220-V247 HydrophobicContact CD1-CB 4.38Å; I220-V247 HydrophobicContact CD1-CG1 3.56Å; I220-V247 HydrophobicContact CD1-CG2 3.9Å; I220-V247 HydrophobicContact CG1-CG1 3.93Å; I220-V247 HydrophobicContact CG1-CG2 3.88Å; I220-V247 HydrophobicContact CG2-CG2 3.63Å; I220-G280 VanDerWaalsContact CD1-O 3.23Å; I220-G280 WeakPolarHBondContact CD1-O 3.37Å; I220-H282 CarbonylContact C-O 3.56Å; I220-H282 WeakPolarHBondContact CA-O 3.37Å; I220-H282 WeakPolarHBondContact CB-O 3.13Å |
| 221 | H | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 162.7 | 157.8 | 74.7 | -109.6 | 0 | 0 | 0 | 112.4 | E114 L242 K243 H282 Y284 | E114-H221 IonicContact OE1-CD2 3.15Å; E114-H221 PolarHBondContact OE1-CD2 3.46Å; E114-H221 IonicContact OE1-NE2 2.69Å; H221-L242 HydrophobicContact CB-CB 4.3Å; H221-K243 CarbonylContact C-O 3.54Å; H221-K243 WeakPolarHBondContact CA-O 3.14Å; H221-K243 WeakPolarHBondContact CB-O 3.13Å; H221-H282 WeakPolarHBondContact CE1-CB 2.96Å; H221-H282 AromaticContact CE1-CD2 3.23Å; H221-H282 PolarHBondContact CE1-CD2 3.36Å; H221-H282 AromaticContact CE1-CE1 3.99Å; H221-H282 AromaticContact CE1-CG 3.12Å; H221-H282 AromaticContact CE1-ND1 3.64Å; H221-H282 AromaticContact CE1-NE2 3.82Å; H221-H282 PolarHBondContact N-O 3.24Å; H221-H282 AromaticContact ND1-CD2 3.39Å; H221-H282 PolarHBondContact ND1-CD2 3.46Å; H221-H282 AromaticContact ND1-CG 3.57Å; H221-H282 WeakPolarHBondContact NE2-CB 3.47Å; H221-H282 AromaticContact NE2-CG 3.62Å; H221-H282 PolarHBondContact O-N 2.89Å; H221-Y284 HydrophobicContact CB-CE2 3.9Å; H221-Y284 PolarHBondContact CE1-OH 3.42Å; H221-Y284 AromaticContact CG-CE2 3.88Å; H221-Y284 AromaticContact ND1-CE2 3.14Å; H221-Y284 WeakPolarHBondContact ND1-CE2 3.46Å; H221-Y284 AromaticContact ND1-CZ 3.25Å; H221-Y284 PolarHBondContact ND1-OH 2.99Å |
| 222 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.5 | 165.2 | -54.9 | 169.9 | 0 | 0 | 0 | 106.6 | E114 S135 I137 C144 K243 F245 | E114-I222 HydrophobicContact CG-CB 4.45Å; E114-I222 HydrophobicContact CG-CG2 4.23Å; S135-I222 WeakPolarHBondContact O-CG2 3.22Å; S135-I222 WeakPolarHBondContact OG-CD1 3.39Å; I137-I222 HydrophobicContact CG1-CB 4.2Å; I137-I222 HydrophobicContact CG1-CG2 3.99Å; C144-I222 HydrophobicContact CB-CD1 3.95Å; I222-K243 PolarHBondContact N-O 3.32Å; I222-K243 PolarHBondContact O-N 3.19Å; I222-K243 VanDerWaalsContact O-N 3.11Å; I222-F245 HydrophobicContact CB-CE2 3.98Å; I222-F245 HydrophobicContact CD1-CD2 4.03Å; I222-F245 HydrophobicContact CD1-CE2 3.67Å; I222-F245 HydrophobicContact CD1-CZ 4.26Å; I222-F245 HydrophobicContact CG1-CD2 4.11Å; I222-F245 HydrophobicContact CG1-CE2 3.88Å |
| 223 | M | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | trans | -62 | 143.6 | 171.1 | -69.6 | -179.4 | -74.6 | 0 | 0 | 111.7 | L72 A103 N112 E114 W241 L242 | L72-M223 HydrophobicContact CD1-SD 4.01Å; L72-M223 HydrophobicContact CD2-SD 3.65Å; A103-M223 HydrophobicContact CB-CE 3.95Å; N112-M223 WeakPolarHBondContact ND2-CB 3.42Å; N112-M223 PolarHBondContact ND2-SD 3Å; N112-M223 VanDerWaalsContact OD1-CE 3.29Å; N112-M223 WeakPolarHBondContact OD1-CE 3.36Å; E114-M223 VanDerWaalsContact OE1-CG 3.24Å; E114-M223 WeakPolarHBondContact OE1-CG 3.39Å; E114-M223 PolarHBondContact OE1-N 3.26Å; E114-M223 WeakPolarHBondContact OE2-CE 3Å; M223-W241 HydrophobicContact CB-CH2 3.68Å; M223-W241 HydrophobicContact CB-CZ2 4.37Å; M223-W241 HydrophobicContact CB-CZ3 4.08Å; M223-W241 HydrophobicContact CG-CH2 3.59Å; M223-W241 HydrophobicContact CG-CZ3 3.6Å; M223-W241 HydrophobicContact SD-CH2 3.72Å; M223-W241 HydrophobicContact SD-CZ3 3.98Å; M223-L242 HydrophobicContact CB-CD2 4.28Å; M223-L242 HydrophobicContact CG-CD2 3.56Å | ||
| 224 | P | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | trans | -52.6 | 148.9 | 167.8 | -28.3 | 36.3 | 0 | 0 | 0 | 113.1 | N112 E226 W241 | N112-P224 WeakPolarHBondContact CB-O 3.39Å; N112-P224 PolarHBondContact ND2-O 2.97Å; P224-E226 PolarHBondContact O-N 3.03Å; P224-W241 HydrophobicContact CB-CZ2 4.34Å; P224-W241 WeakPolarHBondContact CD-O 3.39Å; P224-W241 HydrophobicContact CG-CD2 4.15Å; P224-W241 HydrophobicContact CG-CG 4.25Å; P224-W241 HydrophobicContact CG-CZ2 4.2Å; P224-W241 WeakPolarHBondContact CG-O 3.47Å | ||
| 225 | R | 97.6 | Very high | 98 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -61.5 | -29.6 | -177.7 | -61.8 | -176.3 | 80.4 | -166.1 | 2 | 112.4 | M111 N112 I137 | M111-R225 HydrophobicContact CB-CB 4.21Å; M111-R225 HydrophobicContact SD-CG 4.28Å; M111-R225 VanDerWaalsContact SD-CZ 3.56Å; M111-R225 PolarHBondContact SD-NE 3.18Å; M111-R225 PolarHBondContact SD-NH2 3.31Å; N112-R225 WeakPolarHBondContact CB-O 3.29Å; N112-R225 PolarHBondContact N-O 2.74Å; I137-R225 WeakPolarHBondContact O-CD 3.43Å |
| 226 | E | 97.4 | Very high | 97.9 | Very high | 137 Ų | 137 | 51.2 Ų | 51.2 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -105.1 | 137.5 | 173 | -56.2 | 76.9 | -166.4 | 0 | 0 | 110.8 | P224 | P224-E226 PolarHBondContact O-N 3.03Š|
| 227 | F | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | trans | -64.5 | 152.3 | 171.1 | -61.6 | -68.5 | 0 | 0 | 0 | 111.3 | L72 V76 V78 N112 L160 A229 | L72-F227 HydrophobicContact CD1-CD1 3.82Å; L72-F227 HydrophobicContact CD1-CE1 3.72Å; V76-F227 HydrophobicContact CB-CB 4.2Å; V76-F227 HydrophobicContact CB-CD1 4.04Å; V76-F227 HydrophobicContact CB-CD2 4.34Å; V76-F227 HydrophobicContact CB-CG 3.94Å; V76-F227 HydrophobicContact CG1-CB 3.65Å; V76-F227 HydrophobicContact CG1-CD1 4.31Å; V76-F227 HydrophobicContact CG1-CD2 3.87Å; V76-F227 HydrophobicContact CG1-CG 3.69Å; V76-F227 HydrophobicContact CG2-CD1 3.86Å; V76-F227 HydrophobicContact CG2-CD2 4.04Å; V76-F227 HydrophobicContact CG2-CE1 3.85Å; V76-F227 HydrophobicContact CG2-CE2 4.02Å; V76-F227 HydrophobicContact CG2-CG 3.96Å; V76-F227 HydrophobicContact CG2-CZ 3.94Å; V78-F227 HydrophobicContact CG1-CD2 4.32Å; V78-F227 HydrophobicContact CG1-CE2 4.15Å; N112-F227 HydrophobicContact CB-CD1 4.19Å; N112-F227 HydrophobicContact CB-CE1 3.71Å; N112-F227 HydrophobicContact CB-CE2 4.25Å; N112-F227 HydrophobicContact CB-CZ 3.75Å; N112-F227 WeakPolarHBondContact ND2-CE1 3.33Å; N112-F227 WeakPolarHBondContact OD1-CE1 3.45Å; L160-F227 HydrophobicContact CD1-CE1 3.72Å; L160-F227 HydrophobicContact CD1-CZ 3.92Å; F227-A229 PolarHBondContact O-N 2.67Å | ||
| 228 | S | 97.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | trans | -59.5 | 130 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | C230 | S228-C230 VanDerWaalsContact C-N 3.29Å; S228-C230 WeakPolarHBondContact CB-O 3.29Å; S228-C230 PolarHBondContact OG-N 3.44Å; S228-C230 PolarHBondContact OG-O 3.28Å; S228-C230 PolarHBondContact OG-SG 3.04Å | ||
| 229 | A | 96.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 88% | 0.884 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -76.6 | -18.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F227 | F227-A229 PolarHBondContact O-N 2.67Š|
| 230 | C | 96.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 53% | 0.527 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -111.5 | 150.4 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | S228 L232 | S228-C230 VanDerWaalsContact C-N 3.29Å; S228-C230 WeakPolarHBondContact CB-O 3.29Å; S228-C230 PolarHBondContact OG-N 3.44Å; S228-C230 PolarHBondContact OG-O 3.28Å; S228-C230 PolarHBondContact OG-SG 3.04Å; C230-L232 PolarHBondContact O-N 2.85Å |
| 231 | P | 97.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 58 Ų | 58 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | trans | -57.3 | 127.5 | 178.4 | -27.2 | 36 | 0 | 0 | 0 | 113.1 | P74 L75 | P74-P231 HydrophobicContact CB-CB 4.12Å; P74-P231 CarbonylContact O-C 3.58Å; P74-P231 VanDerWaalsContact O-CA 3.3Å; P74-P231 WeakPolarHBondContact O-CA 3.24Å; L75-P231 HydrophobicContact CD1-CG 4.14Å; L75-P231 HydrophobicContact CD2-CG 4.25Å; L75-P231 HydrophobicContact CG-CB 4.42Å; L75-P231 HydrophobicContact CG-CG 4.09Å | ||
| 232 | L | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | trans | -92.7 | 95.2 | 170.3 | -56.8 | 178 | 0 | 0 | 0 | 109.1 | V73 P74 C230 D237 V238 W241 | V73-L232 HydrophobicContact CB-CB 4.38Å; V73-L232 HydrophobicContact CG1-CB 4.2Å; V73-L232 HydrophobicContact CG1-CD1 3.98Å; P74-L232 WeakPolarHBondContact CA-O 3.49Å; P74-L232 WeakPolarHBondContact CB-O 3.31Å; P74-L232 PolarHBondContact O-N 3.03Å; C230-L232 PolarHBondContact O-N 2.85Å; L232-D237 HydrophobicContact CB-CB 4.17Å; L232-D237 HydrophobicContact CD2-CB 3.99Å; L232-V238 HydrophobicContact CB-CG2 4.03Å; L232-V238 HydrophobicContact CD1-CG2 4.39Å; L232-W241 HydrophobicContact CD1-CB 4Å; L232-W241 HydrophobicContact CD1-CD2 3.76Å; L232-W241 HydrophobicContact CD1-CE3 3.79Å; L232-W241 HydrophobicContact CD1-CG 3.86Å; L232-W241 HydrophobicContact CD2-CB 4.11Å; L232-W241 HydrophobicContact CD2-CG 4.47Å | ||
| 233 | N | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 62.9 Ų | 62.9 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | trans | -96.1 | -4.5 | -167.8 | -62.7 | -58.1 | 0 | 0 | 0 | 114.1 | D237 | N233-D237 PolarHBondContact N-OD2 3.42Š| ||
| 234 | S | 97.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -144.7 | 159.6 | -175.5 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | D236 D237 V238 V316 | S234-D236 PolarHBondContact O-N 2.93Å; S234-D237 PolarHBondContact N-OD2 2.89Å; S234-D237 PolarHBondContact O-N 3.47Å; S234-D237 PolarHBondContact OG-N 3.06Å; S234-D237 VanDerWaalsContact OG-N 3.15Å; S234-D237 PolarHBondContact OG-OD2 3.39Å; S234-V238 WeakPolarHBondContact O-CG2 3.36Å; S234-V238 PolarHBondContact O-N 2.91Å; S234-V316 VanDerWaalsContact C-CG1 3.49Å |
| 235 | N | 96.8 | Very high | 97.5 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.8 | -33 | 173.4 | -74.8 | -11.5 | 0 | 0 | 0 | 111.5 | V238 N239 V316 G317 | N235-V238 PolarHBondContact O-N 2.83Å; N235-N239 WeakPolarHBondContact O-CB 3.05Å; N235-N239 PolarHBondContact O-N 3.27Å; N235-N239 PolarHBondContact O-ND2 3.37Å; N235-N239 VanDerWaalsContact O-ND2 3.08Å; N235-V316 VanDerWaalsContact OD1-CA 3.29Å; N235-V316 WeakPolarHBondContact OD1-CA 3.13Å; N235-G317 PolarHBondContact OD1-N 2.64Å |
| 236 | D | 97.3 | Very high | 97.5 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 175.1 | -77.6 | -2.2 | 0 | 0 | 0 | 112.5 | S234 K240 | S234-D236 PolarHBondContact O-N 2.93Å; D236-K240 WeakPolarHBondContact O-CB 3.27Å; D236-K240 WeakPolarHBondContact O-CD 3.31Å; D236-K240 WeakPolarHBondContact O-CG 3.25Å; D236-K240 PolarHBondContact O-N 3.01Å |
| 237 | D | 97.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 175.7 | -61.3 | -35.5 | 0 | 0 | 0 | 110.6 | L232 N233 S234 K240 W241 | L232-D237 HydrophobicContact CB-CB 4.17Å; L232-D237 HydrophobicContact CD2-CB 3.99Å; N233-D237 PolarHBondContact N-OD2 3.42Å; S234-D237 PolarHBondContact N-OD2 2.89Å; S234-D237 PolarHBondContact O-N 3.47Å; S234-D237 PolarHBondContact OG-N 3.06Å; S234-D237 VanDerWaalsContact OG-N 3.15Å; S234-D237 PolarHBondContact OG-OD2 3.39Å; D237-K240 PolarHBondContact O-N 3.23Å; D237-W241 WeakPolarHBondContact O-CB 3.44Å; D237-W241 PolarHBondContact O-N 2.89Å |
| 238 | V | 97.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | V73 L232 S234 N235 K240 W241 L242 V316 | V73-V238 HydrophobicContact CG1-CG2 4.21Å; L232-V238 HydrophobicContact CB-CG2 4.03Å; L232-V238 HydrophobicContact CD1-CG2 4.39Å; S234-V238 WeakPolarHBondContact O-CG2 3.36Å; S234-V238 PolarHBondContact O-N 2.91Å; N235-V238 PolarHBondContact O-N 2.83Å; V238-K240 VanDerWaalsContact C-N 3.28Å; V238-K240 PolarHBondContact O-N 2.89Å; V238-W241 PolarHBondContact O-N 3.28Å; V238-L242 HydrophobicContact CG1-CD1 3.75Å; V238-L242 HydrophobicContact CG1-CG 4.05Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.26Å; V238-L242 PolarHBondContact O-N 2.85Å; V238-V316 HydrophobicContact CG2-CG1 3.77Å |
| 239 | N | 96.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -30.1 | -178.5 | -76.6 | -32.3 | 0 | 0 | 0 | 113.5 | N235 | N235-N239 WeakPolarHBondContact O-CB 3.05Å; N235-N239 PolarHBondContact O-N 3.27Å; N235-N239 PolarHBondContact O-ND2 3.37Å; N235-N239 VanDerWaalsContact O-ND2 3.08Å |
| 240 | K | 97.2 | Very high | 97.8 | Very high | 160 Ų | 160 | 58.2 Ų | 58.2 | 70% | 0.696 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.9 | -32.9 | 172.9 | -73.8 | 166.1 | -168.2 | 158.9 | 0 | 112.5 | D236 D237 V238 | D236-K240 WeakPolarHBondContact O-CB 3.27Å; D236-K240 WeakPolarHBondContact O-CD 3.31Å; D236-K240 WeakPolarHBondContact O-CG 3.25Å; D236-K240 PolarHBondContact O-N 3.01Å; D237-K240 PolarHBondContact O-N 3.23Å; V238-K240 VanDerWaalsContact C-N 3.28Å; V238-K240 PolarHBondContact O-N 2.89Å |
| 241 | W | 97.9 | Very high | 97.9 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.5 | -42.2 | 177.1 | 174.9 | 72.8 | 0 | 0 | 0 | 111.5 | L72 M223 P224 L232 D237 V238 | L72-W241 HydrophobicContact CD1-CH2 4.33Å; M223-W241 HydrophobicContact CB-CH2 3.68Å; M223-W241 HydrophobicContact CB-CZ2 4.37Å; M223-W241 HydrophobicContact CB-CZ3 4.08Å; M223-W241 HydrophobicContact CG-CH2 3.59Å; M223-W241 HydrophobicContact CG-CZ3 3.6Å; M223-W241 HydrophobicContact SD-CH2 3.72Å; M223-W241 HydrophobicContact SD-CZ3 3.98Å; P224-W241 HydrophobicContact CB-CZ2 4.34Å; P224-W241 WeakPolarHBondContact CD-O 3.39Å; P224-W241 HydrophobicContact CG-CD2 4.15Å; P224-W241 HydrophobicContact CG-CG 4.25Å; P224-W241 HydrophobicContact CG-CZ2 4.2Å; P224-W241 WeakPolarHBondContact CG-O 3.47Å; L232-W241 HydrophobicContact CD1-CB 4Å; L232-W241 HydrophobicContact CD1-CD2 3.76Å; L232-W241 HydrophobicContact CD1-CE3 3.79Å; L232-W241 HydrophobicContact CD1-CG 3.86Å; L232-W241 HydrophobicContact CD2-CB 4.11Å; L232-W241 HydrophobicContact CD2-CG 4.47Å; D237-W241 WeakPolarHBondContact O-CB 3.44Å; D237-W241 PolarHBondContact O-N 2.89Å; V238-W241 PolarHBondContact O-N 3.28Å |
| 242 | L | 97.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -64.3 | 138.6 | 177.6 | -67.3 | 177.9 | 0 | 0 | 0 | 112.4 | H221 M223 V238 | H221-L242 HydrophobicContact CB-CB 4.3Å; M223-L242 HydrophobicContact CB-CD2 4.28Å; M223-L242 HydrophobicContact CG-CD2 3.56Å; V238-L242 HydrophobicContact CG1-CD1 3.75Å; V238-L242 HydrophobicContact CG1-CG 4.05Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.26Å; V238-L242 PolarHBondContact O-N 2.85Å |
| 243 | K | 98.1 | Very high | 98 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.1 | 173.1 | -172.6 | 68 | 178.4 | -178.4 | 0 | 110.2 | I137 H221 I222 F245 | I137-K243 HydrophobicContact CD1-CB 3.42Å; I137-K243 VanDerWaalsContact CD1-CB 3.42Å; I137-K243 HydrophobicContact CD1-CG 3.94Å; I137-K243 HydrophobicContact CG1-CB 4.29Å; H221-K243 CarbonylContact C-O 3.54Å; H221-K243 WeakPolarHBondContact CA-O 3.14Å; H221-K243 WeakPolarHBondContact CB-O 3.13Å; I222-K243 PolarHBondContact N-O 3.32Å; I222-K243 PolarHBondContact O-N 3.19Å; I222-K243 VanDerWaalsContact O-N 3.11Å; K243-F245 HydrophobicContact CB-CE2 3.87Å; K243-F245 HydrophobicContact CB-CZ 4.19Å; K243-F245 HydrophobicContact CG-CD2 4.34Å; K243-F245 HydrophobicContact CG-CE1 4.17Å; K243-F245 HydrophobicContact CG-CE2 3.42Å; K243-F245 VanDerWaalsContact CG-CE2 3.42Å; K243-F245 HydrophobicContact CG-CZ 3.33Å; K243-F245 WeakPolarHBondContact O-CD2 3.41Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.46Å |
| 244 | H | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 46 Ų | 46 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 144.6 | 179.1 | -69.2 | 85.9 | 0 | 0 | 0 | 112.4 | K219 I220 Y284 | K219-H244 WeakPolarHBondContact CE-CD2 3.25Å; I220-H244 CarbonylContact O-C 3.49Å; I220-H244 WeakPolarHBondContact O-CA 3.3Å; H244-Y284 AromaticContact CD2-CE2 3.74Å; H244-Y284 AromaticContact NE2-CE2 3.6Å; H244-Y284 AromaticContact NE2-CZ 3.69Å |
| 245 | F | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.8 | 179.1 | -57.9 | -92.8 | 0 | 0 | 0 | 110.8 | I137 N142 K219 I220 I222 K243 V247 | I137-F245 HydrophobicContact CG1-CZ 4.37Å; N142-F245 WeakPolarHBondContact O-CE1 3.3Å; K219-F245 WeakPolarHBondContact CA-O 3.42Å; I220-F245 HydrophobicContact CD1-CB 4.38Å; I220-F245 HydrophobicContact CG1-CB 3.83Å; I220-F245 HydrophobicContact CG1-CD2 4.5Å; I220-F245 PolarHBondContact N-O 3.39Å; I220-F245 PolarHBondContact O-N 3.09Å; I222-F245 HydrophobicContact CB-CE2 3.98Å; I222-F245 HydrophobicContact CD1-CD2 4.03Å; I222-F245 HydrophobicContact CD1-CE2 3.67Å; I222-F245 HydrophobicContact CD1-CZ 4.26Å; I222-F245 HydrophobicContact CG1-CD2 4.11Å; I222-F245 HydrophobicContact CG1-CE2 3.88Å; K243-F245 HydrophobicContact CB-CE2 3.87Å; K243-F245 HydrophobicContact CB-CZ 4.19Å; K243-F245 HydrophobicContact CG-CD2 4.34Å; K243-F245 HydrophobicContact CG-CE1 4.17Å; K243-F245 HydrophobicContact CG-CE2 3.42Å; K243-F245 VanDerWaalsContact CG-CE2 3.42Å; K243-F245 HydrophobicContact CG-CZ 3.33Å; K243-F245 WeakPolarHBondContact O-CD2 3.41Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.46Å; F245-V247 HydrophobicContact CB-CG1 4.19Å |
| 246 | E | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.6 | 160.9 | -178.9 | 178.3 | 90.9 | 0 | 0 | 107.8 | K217 A218 T287 | K217-E246 HydrophobicContact CB-CG 3.98Å; K217-E246 VanDerWaalsContact CD-CD 3.48Å; K217-E246 HydrophobicContact CD-CG 3.74Å; K217-E246 WeakPolarHBondContact CD-OE1 3.44Å; K217-E246 IonicContact NZ-OE1 3.69Å; K217-E246 PolarHBondContact NZ-OE1 2.89Å; A218-E246 WeakPolarHBondContact O-CA 3.38Å; E246-T287 VanDerWaalsContact CD-OG1 3.31Å; E246-T287 WeakPolarHBondContact CG-OG1 3.36Å; E246-T287 VanDerWaalsContact OE2-CB 3.22Å; E246-T287 WeakPolarHBondContact OE2-CB 3Å; E246-T287 PolarHBondContact OE2-OG1 3.2Å |
| 247 | V | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 155.6 | -175.2 | -69.6 | 0 | 0 | 0 | 0 | 111.1 | K217 A218 I220 F245 L251 E279 | K217-V247 CarbonylContact C-O 3.54Å; K217-V247 WeakPolarHBondContact CA-O 3.45Å; K217-V247 VanDerWaalsContact CB-O 3.25Å; K217-V247 WeakPolarHBondContact CB-O 3.22Å; A218-V247 HydrophobicContact CB-CG2 4.36Å; A218-V247 PolarHBondContact N-O 2.79Å; A218-V247 WeakPolarHBondContact O-CG2 3.22Å; A218-V247 PolarHBondContact O-N 2.82Å; I220-V247 HydrophobicContact CB-CG2 4.37Å; I220-V247 HydrophobicContact CD1-CB 4.38Å; I220-V247 HydrophobicContact CD1-CG1 3.56Å; I220-V247 HydrophobicContact CD1-CG2 3.9Å; I220-V247 HydrophobicContact CG1-CG1 3.93Å; I220-V247 HydrophobicContact CG1-CG2 3.88Å; I220-V247 HydrophobicContact CG2-CG2 3.63Å; F245-V247 HydrophobicContact CB-CG1 4.19Å; V247-L251 HydrophobicContact CB-CD1 4.47Å; V247-L251 HydrophobicContact CG2-CD1 3.67Å; V247-L251 HydrophobicContact CG2-CD2 4.45Å; V247-E279 WeakPolarHBondContact CA-OE2 3.33Å; V247-E279 HydrophobicContact CB-CB 4.03Å; V247-E279 HydrophobicContact CB-CG 4.37Å; V247-E279 VanDerWaalsContact CB-OE2 3.32Å; V247-E279 WeakPolarHBondContact CB-OE2 3.46Å; V247-E279 HydrophobicContact CG1-CB 3.84Å; V247-E279 HydrophobicContact CG1-CG 4.04Å |
| 248 | S | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144.8 | -171.2 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | H277 E279 | S248-H277 PolarHBondContact O-CE1 2.05Å; S248-H277 PolarHBondContact O-NE2 2.75Å; S248-H277 VanDerWaalsContact O-NE2 3.08Å; S248-E279 PolarHBondContact N-OE2 2.84Å |
| 249 | A | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -58.9 | 152.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I213 G216 | I213-A249 HydrophobicContact CG2-CB 4.13Å; I213-A249 WeakPolarHBondContact O-CB 3.42Å; G216-A249 VanDerWaalsContact O-CB 3.26Å; G216-A249 WeakPolarHBondContact O-CB 3.44Å; G216-A249 PolarHBondContact O-N 2.93Å |
| 250 | P | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 46% | 0.461 | 17% | 0.172 | S | C | . | . | cis | -78.8 | 136.3 | 2.5 | 30 | -34.2 | 0 | 0 | 0 | 113.6 | L212 I213 H277 | L212-P250 HydrophobicContact CD1-CB 4.11Å; I213-P250 VanDerWaalsContact O-CA 3.26Å; I213-P250 WeakPolarHBondContact O-CA 3.45Å; P250-H277 PolarHBondContact O-NE2 2.94Å | ||
| 251 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | 175.1 | -64.1 | 168.3 | 0 | 0 | 0 | 110.4 | L212 I213 A218 V247 C273 E279 | L212-L251 CarbonylContact C-O 3.48Å; L212-L251 WeakPolarHBondContact CA-O 3.37Å; L212-L251 WeakPolarHBondContact CD1-O 3.49Å; I213-L251 HydrophobicContact CB-CB 4.14Å; I213-L251 HydrophobicContact CD1-CB 4.35Å; I213-L251 HydrophobicContact CD1-CD1 4.1Å; I213-L251 HydrophobicContact CG1-CB 4.23Å; I213-L251 PolarHBondContact N-O 3.32Å; I213-L251 PolarHBondContact O-N 3.28Å; I213-L251 VanDerWaalsContact O-N 3.13Å; A218-L251 HydrophobicContact CB-CD1 4.02Å; V247-L251 HydrophobicContact CB-CD1 4.47Å; V247-L251 HydrophobicContact CG2-CD1 3.67Å; V247-L251 HydrophobicContact CG2-CD2 4.45Å; L251-C273 HydrophobicContact CB-CB 4.36Å; L251-E279 HydrophobicContact CD2-CB 4.43Å |
| 252 | I | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.6 | 176.2 | -57.1 | 149.5 | 0 | 0 | 0 | 107.3 | P49 F50 F52 L212 C273 F274 | P49-I252 HydrophobicContact CB-CD1 4.44Å; P49-I252 WeakPolarHBondContact O-CD1 3.42Å; F50-I252 HydrophobicContact CD1-CG2 3.84Å; F50-I252 HydrophobicContact CE1-CG2 4.32Å; F52-I252 HydrophobicContact CE1-CG2 4.26Å; F52-I252 HydrophobicContact CZ-CG2 4.41Å; L212-I252 HydrophobicContact CD1-CG1 4.08Å; I252-C273 CarbonylContact O-C 3.53Å; I252-C273 VanDerWaalsContact O-CA 3.25Å; I252-C273 WeakPolarHBondContact O-CA 3.31Å; I252-F274 HydrophobicContact CB-CD1 4.27Å; I252-F274 HydrophobicContact CB-CD2 4.45Å; I252-F274 HydrophobicContact CB-CE1 3.83Å; I252-F274 HydrophobicContact CB-CE2 4.05Å; I252-F274 HydrophobicContact CB-CZ 3.72Å; I252-F274 HydrophobicContact CD1-CD2 4.2Å; I252-F274 HydrophobicContact CD1-CE2 3.53Å; I252-F274 HydrophobicContact CD1-CZ 3.86Å; I252-F274 HydrophobicContact CG1-CE2 4.42Å; I252-F274 HydrophobicContact CG1-CZ 4.42Å; I252-F274 HydrophobicContact CG2-CD1 4.39Å; I252-F274 HydrophobicContact CG2-CE1 3.54Å; I252-F274 HydrophobicContact CG2-CE2 4.28Å; I252-F274 HydrophobicContact CG2-CZ 3.48Å; I252-F274 VanDerWaalsContact CG2-CZ 3.48Å; I252-F274 PolarHBondContact N-O 2.59Å; I252-F274 WeakPolarHBondContact O-CD1 3.2Å; I252-F274 PolarHBondContact O-N 3.13Å |
| 253 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.2 | -172.1 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | T210 F211 T271 H272 C273 | T210-C253 CarbonylContact C-O 3.55Å; T210-C253 WeakPolarHBondContact CA-O 3.48Å; T210-C253 PolarHBondContact OG1-O 3.05Å; T210-C253 VanDerWaalsContact OG1-O 3.14Å; F211-C253 HydrophobicContact CD1-CB 3.85Å; F211-C253 HydrophobicContact CD2-CB 3.91Å; F211-C253 HydrophobicContact CE1-CB 3.49Å; F211-C253 VanDerWaalsContact CE1-CB 3.49Å; F211-C253 HydrophobicContact CE2-CB 3.54Å; F211-C253 HydrophobicContact CG-CB 4.06Å; F211-C253 HydrophobicContact CZ-CB 3.33Å; F211-C253 PolarHBondContact N-O 2.99Å; F211-C253 WeakPolarHBondContact O-CB 3.46Å; F211-C253 PolarHBondContact O-N 2.71Å; C253-T271 HydrophobicContact CB-CG2 3.88Å; C253-H272 CarbonylContact C-O 3.56Å; C253-H272 WeakPolarHBondContact CA-O 3.09Å; C253-C273 HydrophobicContact CB-CB 4.08Å; C253-C273 WeakPolarHBondContact CB-SG 3.23Å; C253-C273 WeakPolarHBondContact SG-CB 3.37Å; C253-C273 CovalentContact SG-SG 2.05Å; C253-C273 PolarHBondContact SG-SG 3.49Å |
| 254 | Q | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.4 | 177.7 | -64.2 | 169 | 7.4 | 0 | 0 | 107.7 | L99 G100 P117 T271 H272 | L99-Q254 HydrophobicContact CB-CG 4.29Å; L99-Q254 HydrophobicContact CD1-CB 4.1Å; L99-Q254 HydrophobicContact CD1-CG 4.46Å; G100-Q254 VanDerWaalsContact N-OE1 3.09Å; G100-Q254 VanDerWaalsContact O-CB 3.3Å; G100-Q254 WeakPolarHBondContact O-CB 3.25Å; G100-Q254 PolarHBondContact O-OE1 3Å; P117-Q254 VanDerWaalsContact O-CD 3.32Å; P117-Q254 PolarHBondContact O-NE2 2.87Å; P117-Q254 PolarHBondContact O-OE1 3.32Å; Q254-T271 VanDerWaalsContact O-CA 3.26Å; Q254-T271 WeakPolarHBondContact O-CA 3.02Å; Q254-T271 WeakPolarHBondContact O-CG2 3.34Å; Q254-H272 PolarHBondContact N-O 3.16Å; Q254-H272 PolarHBondContact O-N 2.82Å |
| 255 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139 | -170.1 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | V189 G208 G209 T271 | V189-S255 WeakPolarHBondContact CG2-OG 3.21Å; G208-S255 WeakPolarHBondContact CA-O 3.48Å; G209-S255 PolarHBondContact N-O 2.77Å; G209-S255 VanDerWaalsContact N-O 3.13Å; G209-S255 PolarHBondContact O-N 3.07Å; S255-T271 WeakPolarHBondContact CB-OG1 3.4Å; S255-T271 PolarHBondContact OG-OG1 3.17Å |
| 256 | V | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.2 | 167.6 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | I63 N163 H270 | I63-V256 HydrophobicContact CB-CG1 4.07Å; I63-V256 HydrophobicContact CG2-CG1 3.76Å; N163-V256 HydrophobicContact CB-CB 4.35Å; V256-H270 PolarHBondContact N-O 3.28Å; V256-H270 VanDerWaalsContact N-O 3.07Å; V256-H270 PolarHBondContact O-N 2.83Å |
| 257 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.4 | 179.3 | 67.3 | -166.4 | 82.9 | 0 | 0 | 111.1 | V189 L192 R193 M196 A206 L207 V268 F298 | V189-M257 HydrophobicContact CB-CE 4.42Å; V189-M257 HydrophobicContact CG1-CB 4.09Å; V189-M257 HydrophobicContact CG1-CE 3.82Å; V189-M257 HydrophobicContact CG1-SD 4.15Å; V189-M257 HydrophobicContact CG2-CE 4.31Å; L192-M257 HydrophobicContact CB-SD 3.71Å; L192-M257 HydrophobicContact CD1-CE 4.15Å; L192-M257 HydrophobicContact CD1-SD 4.24Å; R193-M257 HydrophobicContact CB-CB 4.45Å; M196-M257 HydrophobicContact CE-CG 4.1Å; M196-M257 HydrophobicContact CE-SD 4.28Å; A206-M257 CarbonylContact C-O 3.58Å; A206-M257 WeakPolarHBondContact CA-O 3.38Å; A206-M257 VanDerWaalsContact CB-O 3.29Å; A206-M257 WeakPolarHBondContact CB-O 3.41Å; L207-M257 HydrophobicContact CB-CE 4.42Å; L207-M257 HydrophobicContact CB-CG 3.81Å; L207-M257 HydrophobicContact CB-SD 4.11Å; L207-M257 HydrophobicContact CD1-SD 4.28Å; L207-M257 PolarHBondContact N-O 2.84Å; L207-M257 PolarHBondContact O-N 2.81Å; M257-V268 CarbonylContact C-O 3.57Å; M257-V268 VanDerWaalsContact CA-O 3.24Å; M257-V268 WeakPolarHBondContact CA-O 3.39Å; M257-F298 HydrophobicContact CE-CD1 4.37Å; M257-F298 HydrophobicContact CE-CE1 3.95Å; M257-F298 HydrophobicContact CE-CZ 4.48Å |
| 258 | V | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.9 | 179.4 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | I63 R193 L205 A206 R260 L266 V268 | I63-V258 HydrophobicContact CD1-CG2 3.39Å; R193-V258 WeakPolarHBondContact CD-O 3.3Å; R193-V258 VanDerWaalsContact CG-O 3.29Å; R193-V258 WeakPolarHBondContact CG-O 3.36Å; L205-V258 CarbonylContact O-C 3.53Å; L205-V258 WeakPolarHBondContact O-CA 3.26Å; A206-V258 HydrophobicContact CB-CB 4.44Å; A206-V258 HydrophobicContact CB-CG1 4.42Å; A206-V258 HydrophobicContact CB-CG2 4Å; V258-R260 VanDerWaalsContact C-N 3.34Å; V258-R260 WeakPolarHBondContact CG1-O 3.4Å; V258-R260 PolarHBondContact O-N 2.86Å; V258-L266 HydrophobicContact CB-CD1 4.5Å; V258-L266 HydrophobicContact CG1-CD1 4.08Å; V258-L266 HydrophobicContact CG2-CD1 4.19Å; V258-V268 PolarHBondContact N-O 3.43Å |
| 259 | S | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -57.8 | -47.9 | -177.3 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | R193 L205 | R193-S259 PolarHBondContact NH1-O 2.87Å; R193-S259 VanDerWaalsContact NH1-O 3.1Å; L205-S259 PolarHBondContact N-OG 2.88Å; L205-S259 PolarHBondContact O-N 2.76Å; L205-S259 PolarHBondContact O-OG 3.1Å |
| 260 | R | 96.4 | Very high | 97.9 | Very high | 95 Ų | 95 | 23.4 Ų | 23.4 | 36% | 0.358 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -144 | 129.1 | -178.9 | 178.2 | -174.7 | -61.7 | -60.5 | -1.1 | 109.8 | E197 P201 S204 V258 P262 | E197-R260 IonicContact OE1-NH1 3.67Å; P201-R260 VanDerWaalsContact O-CZ 3.28Å; P201-R260 PolarHBondContact O-NE 2.99Å; P201-R260 PolarHBondContact O-NH2 2.78Å; S204-R260 VanDerWaalsContact CB-O 3.31Å; S204-R260 WeakPolarHBondContact CB-O 3.19Å; S204-R260 PolarHBondContact OG-O 3.37Å; V258-R260 VanDerWaalsContact C-N 3.34Å; V258-R260 WeakPolarHBondContact CG1-O 3.4Å; V258-R260 PolarHBondContact O-N 2.86Å; R260-P262 WeakPolarHBondContact O-CD 3.34Å |
| 261 | D | 96.9 | Very high | 97.9 | Very high | 49 Ų | 49 | 20.2 Ų | 20.2 | 26% | 0.262 | 11% | 0.114 | S | C | . | . | trans | -64.3 | 121.7 | 170.5 | -176.7 | -5.3 | 0 | 0 | 0 | 110.7 | G263 L264 D265 L266 V268 | D261-G263 PolarHBondContact O-N 2.93Å; D261-G263 PolarHBondContact OD1-N 3.18Å; D261-L264 PolarHBondContact OD1-N 2.81Å; D261-D265 VanDerWaalsContact OD2-CA 3.22Å; D261-D265 WeakPolarHBondContact OD2-CA 3.26Å; D261-D265 PolarHBondContact OD2-N 2.91Å; D261-L266 HydrophobicContact CB-CB 4.35Å; D261-L266 PolarHBondContact OD2-N 2.85Å; D261-V268 HydrophobicContact CB-CG1 4.37Å | ||
| 262 | P | 96.8 | Very high | 97.9 | Very high | 40 Ų | 40 | 20.2 Ų | 20.2 | 26% | 0.26 | 11% | 0.114 | S | C | . | . | trans | -77 | 13.8 | 175.9 | 33.5 | -35.7 | 0 | 0 | 0 | 114.6 | F10 R260 L264 L266 | F10-P262 HydrophobicContact CD1-CB 4.01Å; F10-P262 HydrophobicContact CD1-CG 3.79Å; F10-P262 HydrophobicContact CD2-CB 3.83Å; F10-P262 HydrophobicContact CD2-CG 4.13Å; F10-P262 HydrophobicContact CE1-CB 3.7Å; F10-P262 HydrophobicContact CE1-CG 3.93Å; F10-P262 HydrophobicContact CE2-CB 3.51Å; F10-P262 HydrophobicContact CE2-CG 4.26Å; F10-P262 HydrophobicContact CG-CB 4.08Å; F10-P262 HydrophobicContact CG-CG 3.9Å; F10-P262 HydrophobicContact CZ-CB 3.45Å; F10-P262 VanDerWaalsContact CZ-CB 3.45Å; F10-P262 HydrophobicContact CZ-CG 4.17Å; R260-P262 WeakPolarHBondContact O-CD 3.34Å; P262-L264 HydrophobicContact CG-CD1 3.91Å; P262-L264 HydrophobicContact CG-CG 4.09Å; P262-L266 HydrophobicContact CG-CD1 4.43Å | ||
| 263 | G | 96.7 | Very high | 97.9 | Very high | 52 Ų | 52 | 20.1 Ų | 20.1 | 54% | 0.536 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 99.8 | 25.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D261 R309 | D261-G263 PolarHBondContact O-N 2.93Å; D261-G263 PolarHBondContact OD1-N 3.18Å; G263-R309 PolarHBondContact O-NH1 3.5Å; G263-R309 VanDerWaalsContact O-NH1 3.08Å |
| 264 | L | 96.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 7% | 0.073 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -106.3 | 6.8 | -177.4 | -65.1 | 178.3 | 0 | 0 | 0 | 113.3 | E8 F10 D261 P262 L266 V304 R306 R309 | E8-L264 HydrophobicContact CB-CD2 4.2Å; F10-L264 HydrophobicContact CB-CD1 3.81Å; D261-L264 PolarHBondContact OD1-N 2.81Å; P262-L264 HydrophobicContact CG-CD1 3.91Å; P262-L264 HydrophobicContact CG-CG 4.09Å; L264-L266 HydrophobicContact CB-CD1 4.47Å; L264-L266 HydrophobicContact CB-CD2 3.7Å; L264-L266 HydrophobicContact CB-CG 3.87Å; L264-V304 HydrophobicContact CD1-CG1 3.79Å; L264-R306 HydrophobicContact CB-CB 4.42Å; L264-R306 HydrophobicContact CB-CG 4.39Å; L264-R306 HydrophobicContact CD1-CB 4.37Å; L264-R306 WeakPolarHBondContact O-CD 3.29Å; L264-R306 PolarHBondContact O-NE 3.31Å; L264-R309 WeakPolarHBondContact O-CD 3.39Å |
| 265 | D | 97.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 12% | 0.123 | 11% | 0.114 | C | C | . | . | trans | 55.9 | 55.2 | -177.4 | -171.4 | 35.9 | 0 | 0 | 0 | 111.2 | D261 R306 R309 T313 R318 | D261-D265 VanDerWaalsContact OD2-CA 3.22Å; D261-D265 WeakPolarHBondContact OD2-CA 3.26Å; D261-D265 PolarHBondContact OD2-N 2.91Å; D265-R306 PolarHBondContact O-NH2 2.93Å; D265-R309 HydrophobicContact CB-CG 4.44Å; D265-T313 PolarHBondContact OD1-OG1 3.45Å; D265-T313 VanDerWaalsContact OD2-CB 3.29Å; D265-T313 WeakPolarHBondContact OD2-CB 3.2Å; D265-T313 PolarHBondContact OD2-OG1 3.13Å; D265-R318 IonicContact OD1-CZ 3.9Å; D265-R318 IonicContact OD1-NH1 3.91Å; D265-R318 PolarHBondContact OD1-NH1 2.96Å; D265-R318 IonicContact OD1-NH2 3.69Å; D265-R318 PolarHBondContact OD1-NH2 3.15Å; D265-R318 IonicContact OD2-NH2 3.83Å; D265-R318 PolarHBondContact OD2-NH2 3.1Å | ||
| 266 | L | 97.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | -85.8 | 144.6 | -175.2 | -59.2 | -176.6 | 0 | 0 | 0 | 111.5 | D65 V258 D261 P262 L264 V268 V304 | D65-L266 HydrophobicContact CB-CD2 3.78Å; D65-L266 WeakPolarHBondContact OD2-CA 3.39Å; V258-L266 HydrophobicContact CB-CD1 4.5Å; V258-L266 HydrophobicContact CG1-CD1 4.08Å; V258-L266 HydrophobicContact CG2-CD1 4.19Å; D261-L266 HydrophobicContact CB-CB 4.35Å; D261-L266 PolarHBondContact OD2-N 2.85Å; P262-L266 HydrophobicContact CG-CD1 4.43Å; L264-L266 HydrophobicContact CB-CD1 4.47Å; L264-L266 HydrophobicContact CB-CD2 3.7Å; L264-L266 HydrophobicContact CB-CG 3.87Å; L266-V268 PolarHBondContact O-N 3.25Å; L266-V304 HydrophobicContact CD1-CG2 4.17Å; L266-V304 HydrophobicContact CD2-CG2 4.14Å | ||
| 267 | R | 97.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | trans | -76 | 105.8 | 158.6 | -171.1 | 72.8 | -176 | -90.9 | -1.6 | 108.4 | D65 E269 H270 R318 D319 | D65-R267 PolarHBondContact OD2-N 2.91Å; R267-E269 VanDerWaalsContact C-N 3.32Å; R267-E269 WeakPolarHBondContact CG-O 3.31Å; R267-E269 PolarHBondContact NE-O 2.83Å; R267-E269 PolarHBondContact O-N 3.09Å; R267-H270 HydrophobicContact CG-CB 4.05Å; R267-R318 PolarHBondContact NE-O 2.86Å; R267-R318 PolarHBondContact NH2-O 3.44Å; R267-D319 PolarHBondContact NH2-O 2.68Å; R267-D319 PolarHBondContact NH2-OXT 3.46Å | ||
| 268 | V | 97.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 32% | 0.315 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -72.6 | -20.9 | -171.1 | -64.7 | 0 | 0 | 0 | 0 | 114.5 | M257 V258 D261 L266 | M257-V268 CarbonylContact C-O 3.57Å; M257-V268 VanDerWaalsContact CA-O 3.24Å; M257-V268 WeakPolarHBondContact CA-O 3.39Å; V258-V268 PolarHBondContact N-O 3.43Å; D261-V268 HydrophobicContact CB-CG1 4.37Å; L266-V268 PolarHBondContact O-N 3.25Å |
| 269 | E | 97.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 32 Ų | 32 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 127.4 | 172.9 | -61 | -178 | -149.6 | 0 | 0 | 108.7 | V189 G190 R193 R267 | V189-E269 HydrophobicContact CG1-CB 4.23Å; V189-E269 HydrophobicContact CG1-CG 4.16Å; G190-E269 WeakPolarHBondContact CA-OE2 3.33Å; G190-E269 PolarHBondContact N-OE2 3.46Å; R193-E269 HydrophobicContact CB-CG 4.38Å; R193-E269 WeakPolarHBondContact CD-OE1 3.35Å; R193-E269 HydrophobicContact CG-CG 4.44Å; R193-E269 IonicContact CZ-OE1 3.75Å; R193-E269 IonicContact NE-OE1 2.86Å; R193-E269 PolarHBondContact NE-OE1 3.16Å; R193-E269 IonicContact NH2-OE1 2.75Å; R267-E269 VanDerWaalsContact C-N 3.32Å; R267-E269 WeakPolarHBondContact CG-O 3.31Å; R267-E269 PolarHBondContact NE-O 2.83Å; R267-E269 PolarHBondContact O-N 3.09Å |
| 270 | H | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 123.3 | 170.9 | -157.3 | 176.4 | 0 | 0 | 0 | 110.1 | A101 N163 V256 R267 H272 H282 | A101-H270 HydrophobicContact CB-CB 4.27Å; N163-H270 HydrophobicContact CB-CB 3.84Å; N163-H270 PolarHBondContact OD1-ND1 3.35Å; V256-H270 PolarHBondContact N-O 3.28Å; V256-H270 VanDerWaalsContact N-O 3.07Å; V256-H270 PolarHBondContact O-N 2.83Å; R267-H270 HydrophobicContact CG-CB 4.05Å; H270-H272 AromaticContact CD2-CD2 3.93Å; H270-H272 AromaticContact CD2-NE2 3.93Å; H270-H272 AromaticContact NE2-CD2 3.64Å; H270-H272 AromaticContact NE2-NE2 3.16Å; H270-H272 PolarHBondContact NE2-NE2 2.89Å; H270-H272 VanDerWaalsContact NE2-NE2 3.16Å; H270-H282 AromaticContact CD2-CE1 3.29Å; H270-H282 PolarHBondContact CD2-CE1 3.08Å; H270-H282 AromaticContact CD2-ND1 3.41Å; H270-H282 PolarHBondContact CD2-ND1 3.17Å; H270-H282 AromaticContact NE2-CE1 3.39Å; H270-H282 PolarHBondContact NE2-CE1 2.88Å; H270-H282 AromaticContact NE2-ND1 3.14Å; H270-H282 PolarHBondContact NE2-ND1 2.84Å; H270-H282 VanDerWaalsContact NE2-ND1 3.14Å |
| 271 | T | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 123 | -177.6 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | F211 C253 Q254 S255 Y283 | F211-T271 HydrophobicContact CE1-CG2 3.64Å; F211-T271 HydrophobicContact CZ-CG2 3.83Å; C253-T271 HydrophobicContact CB-CG2 3.88Å; Q254-T271 VanDerWaalsContact O-CA 3.26Å; Q254-T271 WeakPolarHBondContact O-CA 3.02Å; Q254-T271 WeakPolarHBondContact O-CG2 3.34Å; S255-T271 WeakPolarHBondContact CB-OG1 3.4Å; S255-T271 PolarHBondContact OG-OG1 3.17Å; T271-Y283 HydrophobicContact CG2-CD1 4.03Å; T271-Y283 HydrophobicContact CG2-CG 4.25Å; T271-Y283 PolarHBondContact O-N 3.48Å |
| 272 | H | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.5 | 167.8 | -73.7 | -168.5 | 0 | 0 | 0 | 109.9 | A101 G102 E114 M115 M116 C253 Q254 H270 G281 H282 | A101-H272 HydrophobicContact CB-CB 3.9Å; A101-H272 VanDerWaalsContact CB-CG 3.47Å; G102-H272 PolarHBondContact O-CE1 2.88Å; E114-H272 IonicContact OE2-CE1 2.71Å; E114-H272 PolarHBondContact OE2-CE1 3.44Å; E114-H272 IonicContact OE2-NE2 2.76Å; M115-H272 PolarHBondContact O-ND1 3Å; M116-H272 HydrophobicContact CG-CB 3.6Å; M116-H272 HydrophobicContact SD-CB 3.85Å; C253-H272 CarbonylContact C-O 3.56Å; C253-H272 WeakPolarHBondContact CA-O 3.09Å; Q254-H272 PolarHBondContact N-O 3.16Å; Q254-H272 PolarHBondContact O-N 2.82Å; H270-H272 AromaticContact CD2-CD2 3.93Å; H270-H272 AromaticContact CD2-NE2 3.93Å; H270-H272 AromaticContact NE2-CD2 3.64Å; H270-H272 AromaticContact NE2-NE2 3.16Å; H270-H272 PolarHBondContact NE2-NE2 2.89Å; H270-H272 VanDerWaalsContact NE2-NE2 3.16Å; H272-G281 CarbonylContact C-O 3.44Å; H272-G281 VanDerWaalsContact CA-O 3.31Å; H272-G281 WeakPolarHBondContact CA-O 3.44Å; H272-H282 VanDerWaalsContact CD2-CA 3.49Å; H272-H282 WeakPolarHBondContact CD2-CA 3.43Å; H272-H282 AromaticContact CD2-CG 3.89Å; H272-H282 AromaticContact CD2-ND1 3.54Å; H272-H282 AromaticContact NE2-CG 3.79Å; H272-H282 AromaticContact NE2-ND1 3.26Å; H272-H282 PolarHBondContact NE2-ND1 3.16Å |
| 273 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152 | 179.9 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | L251 I252 C253 G280 G281 | L251-C273 HydrophobicContact CB-CB 4.36Å; I252-C273 CarbonylContact O-C 3.53Å; I252-C273 VanDerWaalsContact O-CA 3.25Å; I252-C273 WeakPolarHBondContact O-CA 3.31Å; C253-C273 HydrophobicContact CB-CB 4.08Å; C253-C273 WeakPolarHBondContact CB-SG 3.23Å; C253-C273 WeakPolarHBondContact SG-CB 3.37Å; C253-C273 CovalentContact SG-SG 2.05Å; C253-C273 PolarHBondContact SG-SG 3.49Å; C273-G280 CarbonylContact O-C 3.44Å; C273-G280 WeakPolarHBondContact O-CA 3.45Å; C273-G281 PolarHBondContact N-O 3.31Å; C273-G281 PolarHBondContact O-N 2.67Å |
| 274 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 169.3 | 170.5 | 70 | -86.3 | 0 | 0 | 0 | 110.1 | F52 M116 L118 W133 L146 I252 E279 | F52-F274 HydrophobicContact CE1-CE1 4.41Å; F52-F274 HydrophobicContact CE1-CZ 4.06Å; M116-F274 HydrophobicContact CB-CD1 4.18Å; M116-F274 HydrophobicContact CE-CB 4.05Å; M116-F274 HydrophobicContact CG-CB 4.26Å; M116-F274 HydrophobicContact CG-CD1 4.36Å; L118-F274 HydrophobicContact CD1-CE1 3.94Å; L118-F274 HydrophobicContact CD1-CZ 3.8Å; W133-F274 HydrophobicContact CB-CB 4.03Å; W133-F274 HydrophobicContact CB-CG 4.38Å; W133-F274 AromaticContact CD1-CD1 3.99Å; W133-F274 AromaticContact CD1-CD2 3.47Å; W133-F274 VanDerWaalsContact CD1-CD2 3.47Å; W133-F274 AromaticContact CD1-CE2 3.77Å; W133-F274 AromaticContact CD1-CG 3.59Å; W133-F274 HydrophobicContact CD2-CB 4.42Å; W133-F274 AromaticContact CD2-CD2 3.98Å; W133-F274 HydrophobicContact CD2-CD2 3.98Å; W133-F274 HydrophobicContact CD2-CG 4.39Å; W133-F274 AromaticContact CE2-CD2 3.6Å; W133-F274 AromaticContact CE2-CE2 3.88Å; W133-F274 HydrophobicContact CG-CB 3.94Å; W133-F274 AromaticContact CG-CD2 3.9Å; W133-F274 HydrophobicContact CG-CD2 3.9Å; W133-F274 AromaticContact CG-CG 3.89Å; W133-F274 HydrophobicContact CG-CG 3.89Å; W133-F274 HydrophobicContact CZ2-CD2 4.2Å; W133-F274 HydrophobicContact CZ2-CE2 4.36Å; W133-F274 AromaticContact NE1-CD2 3.29Å; W133-F274 VanDerWaalsContact NE1-CD2 3.29Å; W133-F274 AromaticContact NE1-CE2 3.29Å; W133-F274 VanDerWaalsContact NE1-CE2 3.29Å; W133-F274 AromaticContact NE1-CG 3.93Å; W133-F274 AromaticContact NE1-CZ 3.92Å; L146-F274 HydrophobicContact CD1-CB 4.01Å; L146-F274 HydrophobicContact CD2-CB 3.94Å; I252-F274 HydrophobicContact CB-CD1 4.27Å; I252-F274 HydrophobicContact CB-CD2 4.45Å; I252-F274 HydrophobicContact CB-CE1 3.83Å; I252-F274 HydrophobicContact CB-CE2 4.05Å; I252-F274 HydrophobicContact CB-CZ 3.72Å; I252-F274 HydrophobicContact CD1-CD2 4.2Å; I252-F274 HydrophobicContact CD1-CE2 3.53Å; I252-F274 HydrophobicContact CD1-CZ 3.86Å; I252-F274 HydrophobicContact CG1-CE2 4.42Å; I252-F274 HydrophobicContact CG1-CZ 4.42Å; I252-F274 HydrophobicContact CG2-CD1 4.39Å; I252-F274 HydrophobicContact CG2-CE1 3.54Å; I252-F274 HydrophobicContact CG2-CE2 4.28Å; I252-F274 HydrophobicContact CG2-CZ 3.48Å; I252-F274 VanDerWaalsContact CG2-CZ 3.48Å; I252-F274 PolarHBondContact N-O 2.59Å; I252-F274 WeakPolarHBondContact O-CD1 3.2Å; I252-F274 PolarHBondContact O-N 3.13Å; F274-E279 CarbonylContact C-O 3.6Å |
| 275 | S | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | trans | -145.7 | 170.3 | 179.8 | 87.7 | 0 | 0 | 0 | 0 | 112.3 | L146 H277 G278 E279 | L146-S275 VanDerWaalsContact CD2-N 3.32Å; L146-S275 VanDerWaalsContact CD2-O 3.24Å; L146-S275 WeakPolarHBondContact CD2-O 3.43Å; S275-H277 VanDerWaalsContact C-N 3.29Å; S275-H277 WeakPolarHBondContact CB-NE2 3.25Å; S275-H277 PolarHBondContact OG-CD2 2.89Å; S275-H277 PolarHBondContact OG-CE1 3.08Å; S275-H277 PolarHBondContact OG-N 2.96Å; S275-H277 PolarHBondContact OG-ND1 2.85Å; S275-H277 PolarHBondContact OG-NE2 3.31Å; S275-G278 PolarHBondContact OG-N 3.11Å; S275-G278 VanDerWaalsContact OG-N 3.15Å; S275-E279 VanDerWaalsContact CB-O 3.29Å; S275-E279 WeakPolarHBondContact CB-O 3.32Å; S275-E279 PolarHBondContact N-O 2.8Å; S275-E279 VanDerWaalsContact N-O 3.16Å; S275-E279 PolarHBondContact OG-N 3.33Å; S275-E279 VanDerWaalsContact OG-N 3.11Å; S275-E279 PolarHBondContact OG-O 2.9Å | ||
| 276 | H | 98.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 23.4 Ų | 23.4 | 43% | 0.426 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -89.9 | 6.4 | 169.9 | -59.9 | -59.8 | 0 | 0 | 0 | 112.9 | P49 | P49-H276 PolarHBondContact O-NE2 3.03Š|
| 277 | H | 97.8 | Very high | 98.4 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 38% | 0.384 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -119.1 | 7.8 | -177.5 | 58.7 | 68.5 | 0 | 0 | 0 | 113.7 | S248 P250 S275 E279 | S248-H277 PolarHBondContact O-CE1 2.05Å; S248-H277 PolarHBondContact O-NE2 2.75Å; S248-H277 VanDerWaalsContact O-NE2 3.08Å; P250-H277 PolarHBondContact O-NE2 2.94Å; S275-H277 VanDerWaalsContact C-N 3.29Å; S275-H277 WeakPolarHBondContact CB-NE2 3.25Å; S275-H277 PolarHBondContact OG-CD2 2.89Å; S275-H277 PolarHBondContact OG-CE1 3.08Å; S275-H277 PolarHBondContact OG-N 2.96Å; S275-H277 PolarHBondContact OG-ND1 2.85Å; S275-H277 PolarHBondContact OG-NE2 3.31Å; H277-E279 IonicContact CE1-OE2 3.13Å; H277-E279 PolarHBondContact CE1-OE2 2.74Å; H277-E279 IonicContact ND1-OE2 2.68Å |
| 278 | G | 97.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 26 Ų | 26 | 30% | 0.299 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 97.2 | 5.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C144 L146 S275 | C144-G278 PolarHBondContact SG-O 2.86Å; L146-G278 VanDerWaalsContact CB-O 3.23Å; L146-G278 WeakPolarHBondContact CB-O 3.11Å; L146-G278 PolarHBondContact N-O 2.76Å; S275-G278 PolarHBondContact OG-N 3.11Å; S275-G278 VanDerWaalsContact OG-N 3.15Å |
| 279 | E | 98.2 | Very high | 98.5 | Very high | 52 Ų | 52 | 25.3 Ų | 25.3 | 24% | 0.243 | 14% | 0.135 | C | C | . | . | trans | -107.6 | 135.9 | 179.7 | -62.1 | -176 | 149.5 | 0 | 0 | 112.1 | C144 V247 S248 L251 F274 S275 H277 | C144-E279 VanDerWaalsContact SG-CA 3.6Å; V247-E279 WeakPolarHBondContact CA-OE2 3.33Å; V247-E279 HydrophobicContact CB-CB 4.03Å; V247-E279 HydrophobicContact CB-CG 4.37Å; V247-E279 VanDerWaalsContact CB-OE2 3.32Å; V247-E279 WeakPolarHBondContact CB-OE2 3.46Å; V247-E279 HydrophobicContact CG1-CB 3.84Å; V247-E279 HydrophobicContact CG1-CG 4.04Å; S248-E279 PolarHBondContact N-OE2 2.84Å; L251-E279 HydrophobicContact CD2-CB 4.43Å; F274-E279 CarbonylContact C-O 3.6Å; S275-E279 VanDerWaalsContact CB-O 3.29Å; S275-E279 WeakPolarHBondContact CB-O 3.32Å; S275-E279 PolarHBondContact N-O 2.8Å; S275-E279 VanDerWaalsContact N-O 3.16Å; S275-E279 PolarHBondContact OG-N 3.33Å; S275-E279 VanDerWaalsContact OG-N 3.11Å; S275-E279 PolarHBondContact OG-O 2.9Å; H277-E279 IonicContact CE1-OE2 3.13Å; H277-E279 PolarHBondContact CE1-OE2 2.74Å; H277-E279 IonicContact ND1-OE2 2.68Å | ||
| 280 | G | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -179.6 | 167.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S135 C144 I220 C273 | S135-G280 VanDerWaalsContact CB-O 3.27Å; S135-G280 WeakPolarHBondContact CB-O 3.26Å; S135-G280 PolarHBondContact OG-O 3.21Å; C144-G280 PolarHBondContact SG-N 2.92Å; C144-G280 PolarHBondContact SG-O 2.95Å; I220-G280 VanDerWaalsContact CD1-O 3.23Å; I220-G280 WeakPolarHBondContact CD1-O 3.37Å; C273-G280 CarbonylContact O-C 3.44Å; C273-G280 WeakPolarHBondContact O-CA 3.45Å | ||
| 281 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -161.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H272 C273 | H272-G281 CarbonylContact C-O 3.44Å; H272-G281 VanDerWaalsContact CA-O 3.31Å; H272-G281 WeakPolarHBondContact CA-O 3.44Å; C273-G281 PolarHBondContact N-O 3.31Å; C273-G281 PolarHBondContact O-N 2.67Å |
| 282 | H | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123 | -178.6 | -178.4 | 105.4 | 0 | 0 | 0 | 112 | I220 H221 H270 H272 D319 | I220-H282 CarbonylContact C-O 3.56Å; I220-H282 WeakPolarHBondContact CA-O 3.37Å; I220-H282 WeakPolarHBondContact CB-O 3.13Å; H221-H282 WeakPolarHBondContact CE1-CB 2.96Å; H221-H282 AromaticContact CE1-CD2 3.23Å; H221-H282 PolarHBondContact CE1-CD2 3.36Å; H221-H282 AromaticContact CE1-CE1 3.99Å; H221-H282 AromaticContact CE1-CG 3.12Å; H221-H282 AromaticContact CE1-ND1 3.64Å; H221-H282 AromaticContact CE1-NE2 3.82Å; H221-H282 PolarHBondContact N-O 3.24Å; H221-H282 AromaticContact ND1-CD2 3.39Å; H221-H282 PolarHBondContact ND1-CD2 3.46Å; H221-H282 AromaticContact ND1-CG 3.57Å; H221-H282 WeakPolarHBondContact NE2-CB 3.47Å; H221-H282 AromaticContact NE2-CG 3.62Å; H221-H282 PolarHBondContact O-N 2.89Å; H270-H282 AromaticContact CD2-CE1 3.29Å; H270-H282 PolarHBondContact CD2-CE1 3.08Å; H270-H282 AromaticContact CD2-ND1 3.41Å; H270-H282 PolarHBondContact CD2-ND1 3.17Å; H270-H282 AromaticContact NE2-CE1 3.39Å; H270-H282 PolarHBondContact NE2-CE1 2.88Å; H270-H282 AromaticContact NE2-ND1 3.14Å; H270-H282 PolarHBondContact NE2-ND1 2.84Å; H270-H282 VanDerWaalsContact NE2-ND1 3.14Å; H272-H282 VanDerWaalsContact CD2-CA 3.49Å; H272-H282 WeakPolarHBondContact CD2-CA 3.43Å; H272-H282 AromaticContact CD2-CG 3.89Å; H272-H282 AromaticContact CD2-ND1 3.54Å; H272-H282 AromaticContact NE2-CG 3.79Å; H272-H282 AromaticContact NE2-ND1 3.26Å; H272-H282 PolarHBondContact NE2-ND1 3.16Å; H282-D319 PolarHBondContact NE2-O 2.61Å; H282-D319 PolarHBondContact NE2-OXT 2.85Å |
| 283 | Y | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.7 | -176.2 | 166.1 | -90.8 | 0 | 0 | 0 | 113.4 | F211 I213 A218 T271 I285 Y294 | F211-Y283 HydrophobicContact CZ-CE1 4.39Å; I213-Y283 HydrophobicContact CD1-CD2 4.16Å; I213-Y283 HydrophobicContact CD1-CE2 3.84Å; A218-Y283 HydrophobicContact CB-CD2 3.96Å; A218-Y283 HydrophobicContact CB-CE2 3.97Å; T271-Y283 HydrophobicContact CG2-CD1 4.03Å; T271-Y283 HydrophobicContact CG2-CG 4.25Å; T271-Y283 PolarHBondContact O-N 3.48Å; Y283-I285 WeakPolarHBondContact OH-CA 3.49Å; Y283-Y294 PolarHBondContact OH-OH 2.75Å |
| 284 | Y | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 34 Ų | 34 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -64.8 | 169.4 | -71.7 | -86.7 | 0 | 0 | 0 | 112.1 | S187 K219 H221 H244 D319 | S187-Y284 WeakPolarHBondContact CB-O 3.4Å; K219-Y284 HydrophobicContact CD-CD2 4.39Å; K219-Y284 HydrophobicContact CD-CG 4.48Å; K219-Y284 HydrophobicContact CG-CD2 4.15Å; K219-Y284 PolarHBondContact O-N 3.14Å; H221-Y284 HydrophobicContact CB-CE2 3.9Å; H221-Y284 PolarHBondContact CE1-OH 3.42Å; H221-Y284 AromaticContact CG-CE2 3.88Å; H221-Y284 AromaticContact ND1-CE2 3.14Å; H221-Y284 WeakPolarHBondContact ND1-CE2 3.46Å; H221-Y284 AromaticContact ND1-CZ 3.25Å; H221-Y284 PolarHBondContact ND1-OH 2.99Å; H244-Y284 AromaticContact CD2-CE2 3.74Å; H244-Y284 AromaticContact NE2-CE2 3.6Å; H244-Y284 AromaticContact NE2-CZ 3.69Å; Y284-D319 HydrophobicContact CE1-CB 4.11Å |
| 285 | I | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 159.1 | -169.3 | -166.7 | 162.1 | 0 | 0 | 0 | 110.2 | E185 A218 K219 Y283 | E185-I285 WeakPolarHBondContact O-CD1 3.28Å; A218-I285 CarbonylContact C-O 3.38Å; A218-I285 WeakPolarHBondContact CA-O 3.43Å; K219-I285 PolarHBondContact N-O 3.1Å; Y283-I285 WeakPolarHBondContact OH-CA 3.49Å |
| 286 | D | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 149.8 | 164.5 | 63.5 | -85.9 | 0 | 0 | 0 | 112.7 | R182 K217 P289 V292 Y294 | R182-D286 WeakPolarHBondContact CD-OD1 3.39Å; R182-D286 IonicContact CZ-OD1 2.96Å; R182-D286 IonicContact CZ-OD2 2.74Å; R182-D286 VanDerWaalsContact NE-CG 3.28Å; R182-D286 IonicContact NE-OD1 3.56Å; R182-D286 PolarHBondContact NE-OD1 3.5Å; R182-D286 IonicContact NE-OD2 3.63Å; R182-D286 PolarHBondContact NE-OD2 2.97Å; R182-D286 PolarHBondContact NH2-O 2.84Å; R182-D286 VanDerWaalsContact NH2-O 3.14Å; R182-D286 IonicContact NH2-OD1 3.63Å; R182-D286 IonicContact NH2-OD2 2.67Å; R182-D286 PolarHBondContact NH2-OD2 2.79Å; K217-D286 CarbonylContact O-C 3.59Å; K217-D286 WeakPolarHBondContact O-CA 3.27Å; K217-D286 WeakPolarHBondContact O-CB 3.18Å; D286-P289 VanDerWaalsContact OD2-CA 3.25Å; D286-P289 WeakPolarHBondContact OD2-CA 3.08Å; D286-V292 HydrophobicContact CB-CB 4.11Å; D286-V292 HydrophobicContact CB-CG1 4.39Å; D286-V292 HydrophobicContact CB-CG2 3.78Å; D286-Y294 VanDerWaalsContact CB-OH 3.32Å; D286-Y294 WeakPolarHBondContact CB-OH 3.11Å; D286-Y294 PolarHBondContact OD1-OH 2.68Å |
| 287 | T | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 31% | 0.307 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -110.2 | 1.3 | 174.2 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | K217 K219 E246 P289 | K217-T287 WeakPolarHBondContact CB-OG1 3.29Å; K217-T287 PolarHBondContact O-N 2.82Å; K219-T287 HydrophobicContact CB-CG2 3.78Å; E246-T287 VanDerWaalsContact CD-OG1 3.31Å; E246-T287 WeakPolarHBondContact CG-OG1 3.36Å; E246-T287 VanDerWaalsContact OE2-CB 3.22Å; E246-T287 WeakPolarHBondContact OE2-CB 3Å; E246-T287 PolarHBondContact OE2-OG1 3.2Å; T287-P289 VanDerWaalsContact C-CD 3.41Å; T287-P289 WeakPolarHBondContact O-CD 3.44Å |
| 288 | T | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | trans | -124.4 | 64.8 | 177 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | G216 K217 D290 T291 V292 | G216-T288 WeakPolarHBondContact CA-OG1 3.31Å; K217-T288 HydrophobicContact CB-CG2 3.95Å; K217-T288 HydrophobicContact CD-CG2 4.28Å; K217-T288 HydrophobicContact CG-CG2 3.95Å; K217-T288 PolarHBondContact N-OG1 2.9Å; T288-D290 VanDerWaalsContact C-N 3.26Å; T288-D290 PolarHBondContact O-N 3.09Å; T288-D290 VanDerWaalsContact O-N 3.16Å; T288-T291 PolarHBondContact O-N 2.55Å; T288-T291 PolarHBondContact O-OG1 3.26Å; T288-V292 PolarHBondContact O-N 3.36Å | ||
| 289 | P | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 25% | 0.247 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -40.5 | -170.8 | 18.2 | -31.6 | 0 | 0 | 0 | 113 | R181 R182 D286 T287 T291 | R181-P289 CarbonylContact C-O 3.45Å; R181-P289 WeakPolarHBondContact CA-O 3.06Å; R182-P289 HydrophobicContact CB-CB 3.98Å; R182-P289 PolarHBondContact N-O 3.12Å; R182-P289 WeakPolarHBondContact O-CB 3.27Å; D286-P289 VanDerWaalsContact OD2-CA 3.25Å; D286-P289 WeakPolarHBondContact OD2-CA 3.08Å; T287-P289 VanDerWaalsContact C-CD 3.41Å; T287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-T291 PolarHBondContact O-N 2.83Å |
| 290 | D | 98.5 | Very high | 98.7 | Very high | 128 Ų | 128 | 24.7 Ų | 24.7 | 68% | 0.684 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.9 | -175.9 | -57.5 | -38.3 | 0 | 0 | 0 | 114.7 | R181 T288 | R181-D290 WeakPolarHBondContact CG-O 3.45Å; T288-D290 VanDerWaalsContact C-N 3.26Å; T288-D290 PolarHBondContact O-N 3.09Å; T288-D290 VanDerWaalsContact O-N 3.16Å |
| 291 | T | 98.5 | Very high | 98.7 | Very high | 81 Ų | 81 | 24.6 Ų | 24.6 | 50% | 0.497 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128 | -4.8 | -173.4 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | T288 P289 | T288-T291 PolarHBondContact O-N 2.55Å; T288-T291 PolarHBondContact O-OG1 3.26Å; P289-T291 PolarHBondContact O-N 2.83Å |
| 292 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -64.2 | 137.6 | -179.4 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | K180 R181 R182 I213 K215 D286 T288 Y294 | K180-V292 WeakPolarHBondContact CA-O 3.33Å; R181-V292 PolarHBondContact N-O 2.86Å; R182-V292 HydrophobicContact CB-CG1 4.26Å; I213-V292 HydrophobicContact CG2-CG2 4.07Å; K215-V292 WeakPolarHBondContact O-CA 3.23Å; D286-V292 HydrophobicContact CB-CB 4.11Å; D286-V292 HydrophobicContact CB-CG1 4.39Å; D286-V292 HydrophobicContact CB-CG2 3.78Å; T288-V292 PolarHBondContact O-N 3.36Å; V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG1-CD2 4.28Å; V292-Y294 HydrophobicContact CG1-CE2 3.68Å; V292-Y294 HydrophobicContact CG2-CD2 3.94Å; V292-Y294 HydrophobicContact CG2-CE1 4.19Å; V292-Y294 HydrophobicContact CG2-CE2 3.35Å | ||
| 293 | E | 98.9 | Very high | 98.7 | Very high | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.4 | 173.2 | -63.5 | -168.7 | -148.8 | 0 | 0 | 109.4 | K180 I213 Q214 K215 | K180-E293 HydrophobicContact CB-CG 4.3Å; K180-E293 HydrophobicContact CD-CG 3.87Å; K180-E293 VanDerWaalsContact CE-OE2 3.27Å; K180-E293 WeakPolarHBondContact CE-OE2 3.49Å; K180-E293 HydrophobicContact CG-CB 4.28Å; K180-E293 HydrophobicContact CG-CG 3.93Å; K180-E293 IonicContact NZ-OE1 2.75Å; K180-E293 IonicContact NZ-OE2 2.88Å; K180-E293 PolarHBondContact NZ-OE2 3.19Å; I213-E293 CarbonylContact C-O 3.59Å; Q214-E293 HydrophobicContact CB-CB 4.11Å; Q214-E293 PolarHBondContact N-O 3.45Å; K215-E293 HydrophobicContact CB-CB 4.15Å; K215-E293 HydrophobicContact CB-CG 4.19Å; K215-E293 HydrophobicContact CD-CG 4.2Å; K215-E293 VanDerWaalsContact CD-OE1 3.27Å; K215-E293 WeakPolarHBondContact CD-OE1 3.5Å; K215-E293 VanDerWaalsContact CE-OE1 3.25Å; K215-E293 WeakPolarHBondContact CE-OE1 3.34Å; K215-E293 HydrophobicContact CG-CB 4.42Å; K215-E293 HydrophobicContact CG-CG 4.36Å; K215-E293 IonicContact NZ-OE1 3.18Å; K215-E293 PolarHBondContact NZ-OE1 3.01Å; K215-E293 PolarHBondContact O-N 3.29Å |
| 294 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.9 | 179.4 | -63.9 | -82 | 0 | 0 | 0 | 111.5 | F32 R178 A179 L188 F211 L212 I213 Y283 D286 V292 | F32-Y294 AromaticContact CE1-CD2 3.94Å; F32-Y294 HydrophobicContact CE1-CD2 3.94Å; F32-Y294 AromaticContact CE1-CE2 3.71Å; F32-Y294 HydrophobicContact CE1-CE2 3.71Å; F32-Y294 HydrophobicContact CZ-CD2 4.36Å; F32-Y294 HydrophobicContact CZ-CE2 4.07Å; R178-Y294 WeakPolarHBondContact CA-O 3.35Å; A179-Y294 HydrophobicContact CB-CD2 4.43Å; A179-Y294 PolarHBondContact N-O 2.86Å; A179-Y294 PolarHBondContact O-N 2.79Å; L188-Y294 HydrophobicContact CB-CD1 4.33Å; L188-Y294 HydrophobicContact CB-CD2 4.44Å; L188-Y294 HydrophobicContact CB-CE1 4.18Å; L188-Y294 HydrophobicContact CB-CE2 4.32Å; L188-Y294 HydrophobicContact CB-CG 4.44Å; L188-Y294 HydrophobicContact CD2-CD1 3.72Å; L188-Y294 HydrophobicContact CD2-CE1 4.31Å; L188-Y294 HydrophobicContact CD2-CG 3.82Å; L188-Y294 HydrophobicContact CG-CG 4.5Å; F211-Y294 AromaticContact CD2-CD1 3.89Å; F211-Y294 HydrophobicContact CD2-CD1 3.89Å; F211-Y294 HydrophobicContact CD2-CE1 4.35Å; F211-Y294 AromaticContact CE2-CD1 3.94Å; F211-Y294 HydrophobicContact CE2-CD1 3.94Å; F211-Y294 AromaticContact CE2-CE1 3.92Å; F211-Y294 HydrophobicContact CE2-CE1 3.92Å; L212-Y294 WeakPolarHBondContact O-CA 3.4Å; I213-Y294 HydrophobicContact CD1-CE1 3.95Å; I213-Y294 HydrophobicContact CG1-CD1 3.97Å; I213-Y294 HydrophobicContact CG1-CE1 3.71Å; I213-Y294 HydrophobicContact CG2-CE1 4.39Å; Y283-Y294 PolarHBondContact OH-OH 2.75Å; D286-Y294 VanDerWaalsContact CB-OH 3.32Å; D286-Y294 WeakPolarHBondContact CB-OH 3.11Å; D286-Y294 PolarHBondContact OD1-OH 2.68Å; V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG1-CD2 4.28Å; V292-Y294 HydrophobicContact CG1-CE2 3.68Å; V292-Y294 HydrophobicContact CG2-CD2 3.94Å; V292-Y294 HydrophobicContact CG2-CE1 4.19Å; V292-Y294 HydrophobicContact CG2-CE2 3.35Å |
| 295 | L | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 110.7 | 168.1 | 172.6 | 61.9 | 0 | 0 | 0 | 109.6 | E176 V177 R178 F211 L212 Q214 Y297 | E176-L295 HydrophobicContact CG-CD1 3.81Å; V177-L295 CarbonylContact O-C 3.58Å; V177-L295 WeakPolarHBondContact O-CA 3.41Å; R178-L295 HydrophobicContact CG-CD1 3.83Å; F211-L295 CarbonylContact C-O 3.53Å; F211-L295 WeakPolarHBondContact CA-O 3.3Å; L212-L295 PolarHBondContact N-O 2.64Å; L212-L295 PolarHBondContact O-N 2.92Å; Q214-L295 HydrophobicContact CG-CB 4.17Å; L295-Y297 HydrophobicContact CD1-CE2 4.44Å; L295-Y297 HydrophobicContact CD2-CE2 4.38Å; L295-Y297 HydrophobicContact CG-CE2 4.14Å |
| 296 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E176 V177 T210 F211 | E176-G296 CarbonylContact C-O 3.56Å; E176-G296 VanDerWaalsContact CA-O 3.3Å; E176-G296 WeakPolarHBondContact CA-O 3.08Å; V177-G296 PolarHBondContact N-O 3.38Å; V177-G296 PolarHBondContact O-N 2.81Å; T210-G296 CarbonylContact O-C 3.01Å; T210-G296 WeakPolarHBondContact O-CA 3.35Å; F211-G296 VanDerWaalsContact CB-CA 3.46Å |
| 297 | Y | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.2 | 170.5 | -56.8 | -75.8 | 0 | 0 | 0 | 108.9 | V40 P43 F50 L57 V174 I175 E176 G209 T210 L295 | V40-Y297 HydrophobicContact CG2-CD1 4.45Å; V40-Y297 HydrophobicContact CG2-CE1 4.29Å; P43-Y297 HydrophobicContact CG-CD1 4.3Å; P43-Y297 HydrophobicContact CG-CD2 4.06Å; P43-Y297 HydrophobicContact CG-CE1 3.87Å; P43-Y297 HydrophobicContact CG-CE2 3.61Å; P43-Y297 HydrophobicContact CG-CG 4.38Å; P43-Y297 VanDerWaalsContact CG-CZ 3.5Å; F50-Y297 HydrophobicContact CE2-CD2 4.3Å; F50-Y297 AromaticContact CE2-CE2 3.95Å; F50-Y297 HydrophobicContact CE2-CE2 3.95Å; F50-Y297 AromaticContact CZ-CD2 3.96Å; F50-Y297 HydrophobicContact CZ-CD2 3.96Å; F50-Y297 AromaticContact CZ-CE2 3.83Å; F50-Y297 HydrophobicContact CZ-CE2 3.83Å; L57-Y297 WeakPolarHBondContact CD1-O 3.33Å; V174-Y297 HydrophobicContact CG2-CD1 3.89Å; I175-Y297 CarbonylContact O-C 3.39Å; I175-Y297 VanDerWaalsContact O-CA 3.3Å; I175-Y297 WeakPolarHBondContact O-CA 3.46Å; E176-Y297 HydrophobicContact CB-CD1 4.15Å; E176-Y297 HydrophobicContact CB-CE1 4.04Å; E176-Y297 HydrophobicContact CG-CD1 4.27Å; E176-Y297 HydrophobicContact CG-CE1 3.79Å; G209-Y297 WeakPolarHBondContact CA-O 3.38Å; T210-Y297 PolarHBondContact N-O 3.35Å; T210-Y297 PolarHBondContact O-N 3.01Å; L295-Y297 HydrophobicContact CD1-CE2 4.44Å; L295-Y297 HydrophobicContact CD2-CE2 4.38Å; L295-Y297 HydrophobicContact CG-CE2 4.14Å |
| 298 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.9 | -173.2 | -59.1 | -80.1 | 0 | 0 | 0 | 112.2 | I175 V177 L192 G208 F211 M257 | I175-F298 PolarHBondContact N-O 2.94Å; I175-F298 PolarHBondContact O-N 2.88Å; V177-F298 HydrophobicContact CB-CD2 4.36Å; V177-F298 HydrophobicContact CB-CE2 4.16Å; V177-F298 HydrophobicContact CG2-CD2 3.78Å; V177-F298 HydrophobicContact CG2-CE2 3.99Å; L192-F298 HydrophobicContact CD1-CE2 3.98Å; L192-F298 HydrophobicContact CD1-CZ 4.14Å; G208-F298 WeakPolarHBondContact O-CA 3.47Å; F211-F298 HydrophobicContact CB-CE2 4.46Å; F211-F298 HydrophobicContact CB-CZ 3.95Å; F211-F298 HydrophobicContact CD1-CE1 4.35Å; F211-F298 AromaticContact CD1-CZ 3.91Å; F211-F298 HydrophobicContact CD1-CZ 3.91Å; F211-F298 HydrophobicContact CG-CZ 4.31Å; M257-F298 HydrophobicContact CE-CD1 4.37Å; M257-F298 HydrophobicContact CE-CE1 3.95Å; M257-F298 HydrophobicContact CE-CZ 4.48Å |
| 299 | M | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.9 | 172.5 | -74.7 | -61.8 | -68.7 | 0 | 0 | 110.5 | L57 P61 Y165 V174 L207 G208 | L57-M299 HydrophobicContact CB-CG 4.25Å; P61-M299 HydrophobicContact CB-CB 4.46Å; Y165-M299 HydrophobicContact CE2-CB 4.2Å; Y165-M299 VanDerWaalsContact OH-CB 3.26Å; Y165-M299 WeakPolarHBondContact OH-CB 3.19Å; V174-M299 HydrophobicContact CB-SD 4.14Å; V174-M299 HydrophobicContact CG1-CG 4.04Å; V174-M299 HydrophobicContact CG1-SD 3.79Å; L207-M299 WeakPolarHBondContact CA-O 3.16Å; G208-M299 PolarHBondContact N-O 3.03Å; G208-M299 VanDerWaalsContact N-O 3.09Å; G208-M299 PolarHBondContact O-N 2.6Å |
| 300 | P | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.8 | 166.7 | 30.6 | -33.7 | 0 | 0 | 0 | 110.4 | V14 L17 L20 P61 A206 L207 | V14-P300 HydrophobicContact CG1-CB 4.11Å; V14-P300 HydrophobicContact CG1-CG 3.94Å; L17-P300 HydrophobicContact CD2-CG 3.67Å; L20-P300 HydrophobicContact CD2-CB 4.23Å; L20-P300 HydrophobicContact CD2-CG 4.47Å; P61-P300 WeakPolarHBondContact CB-O 3.48Å; P61-P300 WeakPolarHBondContact CG-O 3.34Å; A206-P300 VanDerWaalsContact O-CA 3.32Å; A206-P300 WeakPolarHBondContact O-CA 3.17Å; L207-P300 HydrophobicContact CD2-CB 4.12Å |
| 301 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -85.5 | 141.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L12 V14 I63 A206 | L12-A301 WeakPolarHBondContact CB-O 3.48Å; L12-A301 HydrophobicContact CD1-CB 3.75Å; L12-A301 WeakPolarHBondContact CD1-O 3.4Å; V14-A301 WeakPolarHBondContact CG2-O 3.42Å; I63-A301 HydrophobicContact CB-CB 4.41Å; I63-A301 HydrophobicContact CG1-CB 4.14Å; I63-A301 HydrophobicContact CG2-CB 3.84Å; A206-A301 HydrophobicContact CB-CB 4.31Å; A206-A301 PolarHBondContact O-N 3.15Å | ||
| 302 | E | 98.6 | Very high | 98 | Very high | 74 Ų | 74 | 29.3 Ų | 29.3 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -79.9 | -32.4 | 177.1 | -65.6 | 169.2 | -178.2 | 0 | 0 | 111.9 | L12 V14 P61 | L12-E302 PolarHBondContact N-O 3.28Å; V14-E302 HydrophobicContact CG2-CG 4.42Å; P61-E302 HydrophobicContact CG-CG 4.17Å; P61-E302 WeakPolarHBondContact O-CB 3.18Å; P61-E302 PolarHBondContact O-N 2.8Å |
| 303 | F | 98.7 | Very high | 97.9 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 19% | 0.189 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.5 | -175.5 | -60.3 | -79.6 | 0 | 0 | 0 | 111.3 | K9 F10 Q11 R62 I63 Y305 | K9-F303 HydrophobicContact CD-CD1 4.44Å; K9-F303 VanDerWaalsContact CE-CD1 3.46Å; K9-F303 HydrophobicContact CG-CD1 4.23Å; F10-F303 WeakPolarHBondContact O-CA 3.46Å; Q11-F303 HydrophobicContact CB-CD1 4.2Å; Q11-F303 HydrophobicContact CB-CE1 4.08Å; Q11-F303 HydrophobicContact CG-CD1 4.42Å; Q11-F303 HydrophobicContact CG-CE1 4.04Å; R62-F303 WeakPolarHBondContact CA-O 3.49Å; R62-F303 HydrophobicContact CB-CB 4.3Å; I63-F303 PolarHBondContact N-O 2.97Å; F303-Y305 HydrophobicContact CB-CD2 4.15Å; F303-Y305 HydrophobicContact CB-CE2 3.62Å; F303-Y305 HydrophobicContact CG-CE2 4.33Å |
| 304 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.5 | 158.9 | 61.9 | 0 | 0 | 0 | 0 | 109.6 | K9 F10 L12 I63 L264 L266 | K9-V304 WeakPolarHBondContact CA-O 3.45Å; F10-V304 HydrophobicContact CB-CG1 3.61Å; F10-V304 HydrophobicContact CD1-CG1 3.99Å; F10-V304 HydrophobicContact CG-CG1 4.23Å; F10-V304 PolarHBondContact N-O 3.01Å; F10-V304 PolarHBondContact O-N 2.93Å; L12-V304 HydrophobicContact CD1-CB 4.33Å; L12-V304 HydrophobicContact CD2-CG1 4.28Å; L12-V304 HydrophobicContact CG-CG1 4.47Å; I63-V304 HydrophobicContact CD1-CB 3.86Å; I63-V304 HydrophobicContact CD1-CG2 3.7Å; I63-V304 HydrophobicContact CG1-CB 3.78Å; I63-V304 HydrophobicContact CG1-CG2 3.9Å; I63-V304 WeakPolarHBondContact O-CA 3.23Å; L264-V304 HydrophobicContact CD1-CG1 3.79Å; L266-V304 HydrophobicContact CD1-CG2 4.17Å; L266-V304 HydrophobicContact CD2-CG2 4.14Å |
| 305 | Y | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.4 | 171.4 | -69.5 | -98.8 | 0 | 0 | 0 | 108.8 | T7 E8 K9 R62 I63 T64 D65 L91 E92 F303 | T7-Y305 HydrophobicContact CG2-CD1 3.9Å; E8-Y305 CarbonylContact O-C 3.52Å; E8-Y305 WeakPolarHBondContact O-CA 3.32Å; K9-Y305 HydrophobicContact CB-CD1 4.29Å; K9-Y305 HydrophobicContact CB-CE1 4.16Å; K9-Y305 HydrophobicContact CD-CE1 3.77Å; K9-Y305 WeakPolarHBondContact CE-OH 3.36Å; K9-Y305 HydrophobicContact CG-CD1 4.33Å; K9-Y305 HydrophobicContact CG-CE1 3.87Å; K9-Y305 PolarHBondContact NZ-OH 3.09Å; K9-Y305 VanDerWaalsContact NZ-OH 3.12Å; R62-Y305 HydrophobicContact CB-CD2 4.29Å; R62-Y305 HydrophobicContact CB-CE2 4.16Å; R62-Y305 HydrophobicContact CG-CD2 4.43Å; R62-Y305 HydrophobicContact CG-CE2 4.35Å; I63-Y305 PolarHBondContact O-N 3.25Å; T64-Y305 CarbonylContact C-O 3.52Å; T64-Y305 VanDerWaalsContact CA-O 3.25Å; T64-Y305 WeakPolarHBondContact CA-O 3.44Å; T64-Y305 WeakPolarHBondContact CG2-O 3.22Å; D65-Y305 PolarHBondContact N-O 2.83Å; L91-Y305 HydrophobicContact CD2-CD1 4.15Å; L91-Y305 HydrophobicContact CD2-CD2 3.83Å; L91-Y305 HydrophobicContact CD2-CG 3.52Å; L91-Y305 VanDerWaalsContact O-CZ 3.22Å; L91-Y305 PolarHBondContact O-OH 2.93Å; E92-Y305 VanDerWaalsContact CD-OH 3.32Å; E92-Y305 HydrophobicContact CG-CE1 4.44Å; E92-Y305 PolarHBondContact OE2-OH 2.83Å; F303-Y305 HydrophobicContact CB-CD2 4.15Å; F303-Y305 HydrophobicContact CB-CE2 3.62Å; F303-Y305 HydrophobicContact CG-CE2 4.33Å |
| 306 | R | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.6 | 175.4 | -174.9 | 71.8 | 177.5 | 100.4 | -9.2 | 108.5 | T7 E8 D65 G67 L264 D265 R309 | T7-R306 WeakPolarHBondContact CA-O 3.46Å; E8-R306 HydrophobicContact CB-CB 4.2Å; E8-R306 PolarHBondContact N-O 3.11Å; E8-R306 PolarHBondContact O-N 3.26Å; D65-R306 WeakPolarHBondContact O-CA 3.29Å; D65-R306 WeakPolarHBondContact O-CD 3.48Å; D65-R306 PolarHBondContact O-NH1 3.47Å; D65-R306 IonicContact OD1-CZ 2.7Å; D65-R306 IonicContact OD1-NH1 3.04Å; D65-R306 PolarHBondContact OD1-NH1 3.42Å; D65-R306 IonicContact OD1-NH2 2.78Å; G67-R306 PolarHBondContact O-NH1 3.46Å; G67-R306 PolarHBondContact O-NH2 3.18Å; L264-R306 HydrophobicContact CB-CB 4.42Å; L264-R306 HydrophobicContact CB-CG 4.39Å; L264-R306 HydrophobicContact CD1-CB 4.37Å; L264-R306 WeakPolarHBondContact O-CD 3.29Å; L264-R306 PolarHBondContact O-NE 3.31Å; D265-R306 PolarHBondContact O-NH2 2.93Å; R306-R309 HydrophobicContact CG-CB 3.85Å; R306-R309 HydrophobicContact CG-CG 4.42Å |
| 307 | I | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.1 | -175.3 | -62 | 177.8 | 0 | 0 | 0 | 108.8 | S5 T7 T64 D65 V66 G67 V87 E90 L91 R309 | S5-I307 WeakPolarHBondContact OG-CG2 3.33Å; T7-I307 HydrophobicContact CG2-CG1 3.8Å; T64-I307 HydrophobicContact CG2-CD1 3.69Å; T64-I307 HydrophobicContact CG2-CG1 4.12Å; D65-I307 PolarHBondContact O-N 3.44Å; V66-I307 WeakPolarHBondContact CA-O 3.24Å; V66-I307 HydrophobicContact CB-CB 4.38Å; V66-I307 HydrophobicContact CG1-CB 4.11Å; V66-I307 HydrophobicContact CG1-CG2 3.97Å; V66-I307 HydrophobicContact CG2-CB 4.12Å; V66-I307 HydrophobicContact CG2-CD1 4.18Å; G67-I307 PolarHBondContact N-O 2.93Å; V87-I307 HydrophobicContact CG1-CD1 4.12Å; V87-I307 HydrophobicContact CG2-CD1 4.39Å; E90-I307 HydrophobicContact CB-CD1 4.07Å; E90-I307 WeakPolarHBondContact OE2-CG2 3.46Å; L91-I307 HydrophobicContact CD2-CD1 4.04Å; I307-R309 VanDerWaalsContact C-N 3.33Å; I307-R309 PolarHBondContact O-N 3.48Å |
| 308 | D | 97.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 48.3 | 51.1 | 178.5 | -169.8 | 17.9 | 0 | 0 | 0 | 113.3 | Y71 K80 Y82 | Y71-D308 WeakPolarHBondContact CE2-O 3.15Å; Y71-D308 PolarHBondContact OH-O 3.27Å; Y71-D308 PolarHBondContact OH-OD1 2.67Å; K80-D308 WeakPolarHBondContact CD-OD2 2.8Å; K80-D308 VanDerWaalsContact NZ-CG 3.34Å; K80-D308 IonicContact NZ-OD1 2.78Å; K80-D308 PolarHBondContact NZ-OD1 3.18Å; K80-D308 VanDerWaalsContact NZ-OD1 3.1Å; K80-D308 IonicContact NZ-OD2 3.7Å; K80-D308 PolarHBondContact NZ-OD2 2.93Å; Y82-D308 HydrophobicContact CE1-CB 3.96Å; Y82-D308 PolarHBondContact OH-OD2 3.45Å; Y82-D308 VanDerWaalsContact OH-OD2 3.06Å |
| 309 | R | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -55.8 | 130.4 | 175.8 | 179 | 165.3 | 60.1 | 159.8 | -7.4 | 110.6 | E8 G263 L264 D265 R306 I307 S311 | E8-R309 IonicContact OE1-CZ 3.68Å; E8-R309 IonicContact OE1-NH2 3.73Å; E8-R309 PolarHBondContact OE1-NH2 2.99Å; E8-R309 IonicContact OE2-CZ 2.71Å; E8-R309 IonicContact OE2-NE 3.87Å; E8-R309 PolarHBondContact OE2-NE 2.87Å; E8-R309 IonicContact OE2-NH2 3.17Å; E8-R309 PolarHBondContact OE2-NH2 3.15Å; G263-R309 PolarHBondContact O-NH1 3.5Å; G263-R309 VanDerWaalsContact O-NH1 3.08Å; L264-R309 WeakPolarHBondContact O-CD 3.39Å; D265-R309 HydrophobicContact CB-CG 4.44Å; R306-R309 HydrophobicContact CG-CB 3.85Å; R306-R309 HydrophobicContact CG-CG 4.42Å; I307-R309 VanDerWaalsContact C-N 3.33Å; I307-R309 PolarHBondContact O-N 3.48Å; R309-S311 PolarHBondContact O-N 2.98Å | ||
| 310 | P | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -54.3 | 128.6 | 174.5 | -26.5 | 35 | 0 | 0 | 0 | 112 | G67 P70 Y71 E312 | G67-P310 WeakPolarHBondContact O-CD 3.38Å; P70-P310 HydrophobicContact CB-CB 3.82Å; P70-P310 HydrophobicContact CB-CG 3.93Å; P70-P310 HydrophobicContact CG-CB 4.16Å; P70-P310 HydrophobicContact CG-CG 4.02Å; Y71-P310 HydrophobicContact CD1-CB 4.19Å; Y71-P310 HydrophobicContact CD1-CG 4.01Å; Y71-P310 HydrophobicContact CD2-CG 4.49Å; Y71-P310 HydrophobicContact CE1-CB 3.68Å; Y71-P310 HydrophobicContact CE1-CG 3.74Å; Y71-P310 HydrophobicContact CE2-CG 4.23Å; Y71-P310 HydrophobicContact CG-CG 4.4Å; P310-E312 VanDerWaalsContact CB-O 3.26Å; P310-E312 WeakPolarHBondContact CB-O 3.38Å; P310-E312 PolarHBondContact O-N 3.34Å | ||
| 311 | S | 94.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -69.3 | -25.6 | 174.3 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | R309 | R309-S311 PolarHBondContact O-N 2.98Š|
| 312 | E | 94 | Very high | 95.3 | Very high | 146 Ų | 146 | 53.4 Ų | 53.4 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -119.7 | 128.4 | 172.8 | -65.2 | 176.3 | -177.2 | 0 | 0 | 107.6 | P70 P310 | P70-E312 WeakPolarHBondContact CB-O 3.21Å; P310-E312 VanDerWaalsContact CB-O 3.26Å; P310-E312 WeakPolarHBondContact CB-O 3.38Å; P310-E312 PolarHBondContact O-N 3.34Å |
| 313 | T | 95.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | trans | -134.9 | 166.1 | -174 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | P70 D265 R318 | P70-T313 WeakPolarHBondContact CG-OG1 3.45Å; D265-T313 PolarHBondContact OD1-OG1 3.45Å; D265-T313 VanDerWaalsContact OD2-CB 3.29Å; D265-T313 WeakPolarHBondContact OD2-CB 3.2Å; D265-T313 PolarHBondContact OD2-OG1 3.13Å; T313-R318 PolarHBondContact OG1-NH2 2.89Å | ||
| 314 | H | 95.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | trans | -160 | 166.9 | 178 | 57.6 | 61.7 | 0 | 0 | 0 | 110.8 | V73 V316 R318 | V73-H314 VanDerWaalsContact CG2-CE1 3.42Å; V73-H314 WeakPolarHBondContact CG2-CE1 3.26Å; V73-H314 PolarHBondContact O-NE2 2.87Å; H314-V316 PolarHBondContact CE1-O 3.29Å; H314-V316 VanDerWaalsContact CE1-O 3.27Å; H314-V316 PolarHBondContact ND1-N 3.13Å; H314-V316 PolarHBondContact ND1-O 3.42Å; H314-R318 VanDerWaalsContact O-CZ 3.25Å; H314-R318 PolarHBondContact O-NE 3.08Å; H314-R318 PolarHBondContact O-NH2 3.13Å | ||
| 315 | E | 94.6 | Very high | 94.6 | Very high | 133 Ų | 133 | 56.3 Ų | 56.3 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -90.2 | -2 | 177.8 | -61.2 | -52.1 | 132.8 | 0 | 0 | 114.3 | R318 | E315-R318 IonicContact OE1-CZ 2.67Å; E315-R318 IonicContact OE1-NH1 3.81Å; E315-R318 WeakPolarHBondContact OE2-CD 3.42Å; E315-R318 IonicContact OE2-CZ 3.48Å; E315-R318 IonicContact OE2-NE 2.74Å; E315-R318 IonicContact OE2-NH1 3.36Å |
| 316 | V | 95.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 134.7 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | V69 V73 S234 N235 V238 H314 | V69-V316 VanDerWaalsContact CG1-O 3.27Å; V69-V316 WeakPolarHBondContact CG1-O 3.02Å; V73-V316 HydrophobicContact CG2-CG1 4.37Å; S234-V316 VanDerWaalsContact C-CG1 3.49Å; N235-V316 VanDerWaalsContact OD1-CA 3.29Å; N235-V316 WeakPolarHBondContact OD1-CA 3.13Å; V238-V316 HydrophobicContact CG2-CG1 3.77Å; H314-V316 PolarHBondContact CE1-O 3.29Å; H314-V316 VanDerWaalsContact CE1-O 3.27Å; H314-V316 PolarHBondContact ND1-N 3.13Å; H314-V316 PolarHBondContact ND1-O 3.42Å |
| 317 | G | 91.4 | Very high | 94 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 23.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | V69 N235 | V69-G317 WeakPolarHBondContact CG1-O 3.39Å; N235-G317 PolarHBondContact OD1-N 2.64Å |
| 318 | R | 90.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | trans | -96.9 | 10 | -179.7 | -60.6 | -171.7 | -178.7 | -149.8 | -5.3 | 114.3 | V69 D265 R267 T313 H314 E315 | V69-R318 HydrophobicContact CG2-CG 4.49Å; D265-R318 IonicContact OD1-CZ 3.9Å; D265-R318 IonicContact OD1-NH1 3.91Å; D265-R318 PolarHBondContact OD1-NH1 2.96Å; D265-R318 IonicContact OD1-NH2 3.69Å; D265-R318 PolarHBondContact OD1-NH2 3.15Å; D265-R318 IonicContact OD2-NH2 3.83Å; D265-R318 PolarHBondContact OD2-NH2 3.1Å; R267-R318 PolarHBondContact NE-O 2.86Å; R267-R318 PolarHBondContact NH2-O 3.44Å; T313-R318 PolarHBondContact OG1-NH2 2.89Å; H314-R318 VanDerWaalsContact O-CZ 3.25Å; H314-R318 PolarHBondContact O-NE 3.08Å; H314-R318 PolarHBondContact O-NH2 3.13Å; E315-R318 IonicContact OE1-CZ 2.67Å; E315-R318 IonicContact OE1-NH1 3.81Å; E315-R318 WeakPolarHBondContact OE2-CD 3.42Å; E315-R318 IonicContact OE2-CZ 3.48Å; E315-R318 IonicContact OE2-NE 2.74Å; E315-R318 IonicContact OE2-NH1 3.36Å | ||
| 319 | D | 80.6 | Confident | 93.3 | Very high | 104 Ų | 104 | 72.5 Ų | 72.5 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | trans | -80.3 | 0 | 174.8 | -63.6 | -16.3 | 0 | 0 | 0 | 111.6 | R267 H282 Y284 | R267-D319 PolarHBondContact NH2-O 2.68Å; R267-D319 PolarHBondContact NH2-OXT 3.46Å; H282-D319 PolarHBondContact NE2-O 2.61Å; H282-D319 PolarHBondContact NE2-OXT 2.85Å; Y284-D319 HydrophobicContact CE1-CB 4.11Å |
Retrieved 319 of 319 residues in 493.7 ms
(Link to these results)