| 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 | 64.8 | Low | 88 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 49% | 0.488 | 27% | 0.273 | S | S | . | . | 0 | 130.6 | 0 | -75.8 | 177.4 | 88.2 | 0 | 0 | 105.7 | H3 D153 Y175 P177 R204 | M1-H3 PolarHBondContact O-N 2.85Å; M1-D153 VanDerWaalsContact C-OD1 3.3Å; M1-D153 VanDerWaalsContact O-OD1 3.11Å; M1-Y175 HydrophobicContact CE-CD1 3.33Å; M1-Y175 HydrophobicContact CE-CE1 3.69Å; M1-P177 HydrophobicContact CE-CG 3.88Å; M1-R204 PolarHBondContact SD-NH1 3.33Å; M1-R204 VanDerWaalsContact SD-NH1 3.37Å | |||
| 2 | P | 75.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | trans | -59.1 | 134.9 | -179.9 | 25.2 | -33.5 | 0 | 0 | 0 | 110.2 | R57 I151 G152 D153 I176 | P2-R57 HydrophobicContact CB-CG 4.35Å; P2-I151 HydrophobicContact CB-CG2 3.91Å; P2-G152 WeakPolarHBondContact CA-O 3.24Å; P2-D153 WeakPolarHBondContact CA-OD1 3.32Å; P2-I176 HydrophobicContact CG-CG1 4.06Å | ||
| 3 | H | 84.5 | Confident | 89 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.8 | -175.8 | 55.6 | -80.4 | 0 | 0 | 0 | 110.2 | M1 L5 I151 G152 D153 F154 | M1-H3 PolarHBondContact O-N 2.85Å; H3-L5 PolarHBondContact O-N 2.89Å; H3-I151 WeakPolarHBondContact O-CA 3.33Å; H3-G152 PolarHBondContact N-O 2.74Å; H3-G152 PolarHBondContact ND1-O 2.51Å; H3-G152 PolarHBondContact O-N 3.48Å; H3-G152 VanDerWaalsContact O-O 3.13Å; H3-D153 IonicContact ND1-OD1 3.6Å; H3-F154 AromaticContact NE2-CD2 3.62Å; H3-F154 AromaticContact NE2-CE2 3.84Å |
| 4 | K | 89.3 | Confident | 89.4 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.5 | 173.9 | 178.6 | 170.4 | -175 | -174.8 | 0 | 110 | N149 L150 E180 D185 | K4-N149 VanDerWaalsContact CD-OD1 3.27Å; K4-N149 WeakPolarHBondContact CD-OD1 3.4Å; K4-N149 WeakPolarHBondContact CE-OD1 3.35Å; K4-N149 VanDerWaalsContact CG-OD1 3.26Å; K4-N149 WeakPolarHBondContact CG-OD1 3.46Å; K4-L150 CarbonylContact C-O 3.52Å; K4-L150 WeakPolarHBondContact CA-O 3.35Å; K4-E180 WeakPolarHBondContact CB-OE2 3.4Å; K4-E180 PolarHBondContact N-OE2 3.09Å; K4-D185 IonicContact NZ-OD2 3.23Å; K4-D185 PolarHBondContact NZ-OD2 2.75Å |
| 5 | L | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 121.3 | 178.3 | -62.6 | 172.9 | 0 | 0 | 0 | 109.5 | H3 L50 A54 F56 L150 F154 | H3-L5 PolarHBondContact O-N 2.89Å; L5-L50 HydrophobicContact CB-CD2 3.64Å; L5-L50 HydrophobicContact CD1-CD2 3.94Å; L5-L50 HydrophobicContact CG-CD2 4.37Å; L5-A54 HydrophobicContact CD1-CB 3.6Å; L5-A54 HydrophobicContact CD2-CB 4.02Å; L5-A54 HydrophobicContact CG-CB 4.45Å; L5-F56 HydrophobicContact CD1-CD1 3.9Å; L5-F56 HydrophobicContact CD1-CE1 4.02Å; L5-L150 HydrophobicContact CB-CB 4.21Å; L5-L150 PolarHBondContact N-O 3.42Å; L5-F154 HydrophobicContact CD2-CD1 4.31Å; L5-F154 HydrophobicContact CD2-CD2 4.12Å; L5-F154 HydrophobicContact CD2-CE1 4.12Å; L5-F154 HydrophobicContact CD2-CE2 3.92Å; L5-F154 HydrophobicContact CD2-CG 4.33Å; L5-F154 HydrophobicContact CD2-CZ 3.94Å |
| 6 | P | 91.7 | Very high | 90.1 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -64 | 136.2 | 172.2 | 26.4 | -34.1 | 0 | 0 | 0 | 110.5 | E51 F154 | P6-E51 HydrophobicContact CB-CG 4.33Å; P6-E51 HydrophobicContact CG-CG 4.13Å; P6-E51 WeakPolarHBondContact CG-OE2 3.44Å; P6-F154 HydrophobicContact CG-CE2 4.43Å; P6-F154 HydrophobicContact CG-CZ 3.95Å |
| 7 | F | 94.1 | Very high | 90.1 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.3 | 176.9 | 69.1 | -92.8 | 0 | 0 | 0 | 110.6 | V9 L24 L48 S49 I148 L150 | F7-V9 HydrophobicContact CE2-CG2 4.48Å; F7-L24 WeakPolarHBondContact CZ-O 3.13Å; F7-L48 HydrophobicContact CD2-CB 4.07Å; F7-L48 HydrophobicContact CD2-CD1 4.2Å; F7-L48 HydrophobicContact CD2-CD2 3.92Å; F7-L48 HydrophobicContact CD2-CG 4.28Å; F7-L48 HydrophobicContact CE2-CD1 4.24Å; F7-L48 HydrophobicContact CE2-CD2 3.92Å; F7-L48 HydrophobicContact CG-CB 4.5Å; F7-S49 CarbonylContact C-O 3.53Å; F7-S49 VanDerWaalsContact CA-O 3.25Å; F7-S49 WeakPolarHBondContact CA-O 3.45Å; F7-S49 WeakPolarHBondContact CB-O 3.48Å; F7-I148 VanDerWaalsContact CE1-O 3.26Å; F7-I148 WeakPolarHBondContact CE1-O 3.44Å; F7-I148 HydrophobicContact CZ-CB 4.08Å; F7-I148 HydrophobicContact CZ-CG2 4.25Å; F7-I148 VanDerWaalsContact CZ-O 3.26Å; F7-I148 WeakPolarHBondContact CZ-O 3.5Å; F7-L150 HydrophobicContact CB-CD1 4.03Å; F7-L150 HydrophobicContact CD1-CB 4.41Å; F7-L150 HydrophobicContact CD1-CD1 3.76Å; F7-L150 HydrophobicContact CD1-CG 3.86Å; F7-L150 HydrophobicContact CE1-CD1 4.49Å; F7-L150 HydrophobicContact CE1-CG 4.19Å; F7-L150 HydrophobicContact CG-CD1 3.97Å |
| 8 | R | 94.3 | Very high | 90 | Very high | 184 Ų | 184 | 64.3 Ų | 64.3 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.4 | 169.5 | -108.2 | 179.4 | 172.7 | -164.9 | -2 | 110.8 | V10 N25 L48 S49 | R8-V10 PolarHBondContact O-N 2.9Å; R8-N25 WeakPolarHBondContact CA-OD1 3.22Å; R8-L48 WeakPolarHBondContact O-CA 3.14Å; R8-S49 PolarHBondContact N-O 2.73Å; R8-S49 PolarHBondContact O-N 3.08Å |
| 9 | V | 94.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 64.2 Ų | 64.2 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 117.3 | 167.6 | -170.3 | 0 | 0 | 0 | 0 | 109 | F7 A21 L24 N25 L46 L48 | F7-V9 HydrophobicContact CE2-CG2 4.48Å; V9-A21 HydrophobicContact CG1-CB 4.01Å; V9-L24 HydrophobicContact CG2-CB 3.97Å; V9-L24 HydrophobicContact CG2-CD1 4.43Å; V9-N25 PolarHBondContact N-OD1 3.04Å; V9-L46 HydrophobicContact CG1-CD2 4.18Å; V9-L48 HydrophobicContact CB-CD2 4.33Å; V9-L48 HydrophobicContact CG1-CD2 4.46Å; V9-L48 HydrophobicContact CG2-CD2 3.66Å |
| 10 | V | 93.5 | Very high | 90.3 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -20.3 | -177.9 | -68.3 | 0 | 0 | 0 | 0 | 113.4 | R8 I47 S49 F87 | R8-V10 PolarHBondContact O-N 2.9Å; V10-I47 HydrophobicContact CG2-CB 4.01Å; V10-I47 HydrophobicContact CG2-CG2 3.79Å; V10-I47 WeakPolarHBondContact CG2-O 3.44Å; V10-I47 PolarHBondContact N-O 3.2Å; V10-S49 VanDerWaalsContact CG1-CB 3.45Å; V10-F87 HydrophobicContact CB-CD1 4.35Å; V10-F87 HydrophobicContact CG2-CB 4.14Å; V10-F87 HydrophobicContact CG2-CD1 4.08Å; V10-F87 HydrophobicContact CG2-CG 4.22Å |
| 11 | Y | 95.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 60 Ų | 60 | 35% | 0.349 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 140.4 | 179.1 | 176.3 | -92.1 | 0 | 0 | 0 | 111 | K45 L46 I47 F87 | Y11-K45 HydrophobicContact CD1-CD 4.21Å; Y11-K45 HydrophobicContact CD1-CG 4.05Å; Y11-K45 HydrophobicContact CE1-CB 4.11Å; Y11-K45 HydrophobicContact CE1-CD 3.78Å; Y11-K45 HydrophobicContact CE1-CG 3.81Å; Y11-L46 WeakPolarHBondContact O-CA 3.24Å; Y11-I47 HydrophobicContact CD1-CD1 3.86Å; Y11-I47 HydrophobicContact CD1-CG1 4.07Å; Y11-I47 HydrophobicContact CG-CD1 4.06Å; Y11-I47 PolarHBondContact O-N 2.95Å; Y11-F87 HydrophobicContact CD2-CE2 4.09Å; Y11-F87 HydrophobicContact CD2-CZ 4.18Å; Y11-F87 HydrophobicContact CG-CE2 4.16Å; Y11-F87 HydrophobicContact CG-CZ 4.49Å |
| 12 | V | 94.9 | Very high | 91.8 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 22% | 0.218 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.6 | 172.8 | 63.6 | 0 | 0 | 0 | 0 | 109 | S14 A21 W34 K45 L46 | V12-S14 WeakPolarHBondContact CG2-O 3.22Å; V12-A21 HydrophobicContact CB-CB 4.13Å; V12-A21 HydrophobicContact CG1-CB 4.16Å; V12-A21 HydrophobicContact CG2-CB 4.33Å; V12-W34 HydrophobicContact CG2-CZ2 3.98Å; V12-K45 CarbonylContact C-O 3.57Å; V12-K45 WeakPolarHBondContact CA-O 3.3Å; V12-L46 HydrophobicContact CB-CD2 3.84Å; V12-L46 HydrophobicContact CG2-CD2 3.54Å |
| 13 | S | 94.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -73.8 | -39.6 | 177.6 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | Q44 K45 | S13-Q44 WeakPolarHBondContact OG-CA 3.46Å; S13-Q44 VanDerWaalsContact OG-CD 3.25Å; S13-Q44 PolarHBondContact OG-OE1 3.1Å; S13-K45 PolarHBondContact N-O 3.48Å; S13-K45 PolarHBondContact OG-N 2.97Å; S13-K45 PolarHBondContact OG-O 3.47Å |
| 14 | S | 94.4 | Very high | 93 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | trans | -157.3 | 156.6 | 174.5 | 79.4 | 0 | 0 | 0 | 0 | 110.8 | V12 W34 A37 Q44 | V12-S14 WeakPolarHBondContact CG2-O 3.22Å; S14-W34 WeakPolarHBondContact O-CZ2 3.22Å; S14-W34 PolarHBondContact O-NE1 3Å; S14-A37 PolarHBondContact OG-N 3.49Å; S14-Q44 PolarHBondContact OG-OE1 2.85Å | ||
| 15 | Q | 95.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | trans | -147.8 | 151.2 | 176.2 | 64.6 | -175.8 | 21.9 | 0 | 0 | 110.8 | A21 V35 | Q15-A21 VanDerWaalsContact OE1-N 3.14Å; Q15-V35 CarbonylContact C-O 3.56Å; Q15-V35 VanDerWaalsContact CA-O 3.3Å; Q15-V35 WeakPolarHBondContact CA-O 3.42Å | ||
| 16 | D | 94.1 | Very high | 93 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 147.6 | 165.7 | -165.6 | -76.5 | 0 | 0 | 0 | 109.9 | H18 F19 V35 R38 Q142 | D16-H18 PolarHBondContact O-N 2.88Å; D16-H18 IonicContact OD1-CG 2.76Å; D16-H18 PolarHBondContact OD1-N 2.73Å; D16-H18 IonicContact OD1-ND1 3.2Å; D16-H18 PolarHBondContact OD1-ND1 3.49Å; D16-H18 VanDerWaalsContact OD1-ND1 3.12Å; D16-F19 HydrophobicContact CB-CB 4.38Å; D16-F19 HydrophobicContact CB-CD2 4.15Å; D16-F19 CarbonylContact O-C 3.55Å; D16-F19 PolarHBondContact O-N 3.08Å; D16-V35 HydrophobicContact CB-CB 4.35Å; D16-V35 PolarHBondContact N-O 2.95Å; D16-R38 IonicContact OD2-NE 2.6Å; D16-Q142 PolarHBondContact OD2-NE2 3.39Å |
| 17 | E | 89.7 | Confident | 92.9 | Very high | 178 Ų | 178 | 63.9 Ų | 63.9 | 83% | 0.832 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.8 | -178.4 | -169.1 | 172.7 | -175.7 | 0 | 0 | 112.4 | ||
| 18 | H | 88.9 | Confident | 92.5 | Very high | 126 Ų | 126 | 65.9 Ų | 65.9 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.4 | -178.9 | -54 | 85.4 | 0 | 0 | 0 | 113.3 | D16 | D16-H18 PolarHBondContact O-N 2.88Å; D16-H18 IonicContact OD1-CG 2.76Å; D16-H18 PolarHBondContact OD1-N 2.73Å; D16-H18 IonicContact OD1-ND1 3.2Å; D16-H18 PolarHBondContact OD1-ND1 3.49Å; D16-H18 VanDerWaalsContact OD1-ND1 3.12Å |
| 19 | F | 92.3 | Very high | 92.1 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 63.2 | -173.3 | -57.9 | -83 | 0 | 0 | 0 | 111.3 | D16 K32 V35 | D16-F19 HydrophobicContact CB-CB 4.38Å; D16-F19 HydrophobicContact CB-CD2 4.15Å; D16-F19 CarbonylContact O-C 3.55Å; D16-F19 PolarHBondContact O-N 3.08Å; F19-K32 HydrophobicContact CD1-CB 3.9Å; F19-K32 HydrophobicContact CE1-CB 3.96Å; F19-K32 HydrophobicContact CE1-CD 4.35Å; F19-V35 HydrophobicContact CB-CB 3.68Å; F19-V35 HydrophobicContact CB-CG2 3.68Å; F19-V35 HydrophobicContact CD1-CG2 4Å; F19-V35 HydrophobicContact CD2-CB 4.14Å; F19-V35 HydrophobicContact CD2-CG2 3.97Å; F19-V35 HydrophobicContact CG-CB 4Å; F19-V35 HydrophobicContact CG-CG2 3.61Å; F19-V35 PolarHBondContact O-N 3.32Å |
| 20 | P | 94.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | trans | -69.1 | 153.4 | -175.1 | 30.2 | -35.7 | 0 | 0 | 0 | 111.7 | T22 E23 | P20-T22 PolarHBondContact O-N 3.07Å; P20-E23 HydrophobicContact CG-CG 4.15Å; P20-E23 WeakPolarHBondContact O-CB 3.26Å; P20-E23 PolarHBondContact O-N 2.8Å; P20-E23 VanDerWaalsContact O-N 3.13Å | ||
| 21 | A | 93.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.6 | -16.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V9 V12 Q15 E23 L24 W34 | V9-A21 HydrophobicContact CG1-CB 4.01Å; V12-A21 HydrophobicContact CB-CB 4.13Å; V12-A21 HydrophobicContact CG1-CB 4.16Å; V12-A21 HydrophobicContact CG2-CB 4.33Å; Q15-A21 VanDerWaalsContact OE1-N 3.14Å; A21-E23 PolarHBondContact O-N 2.98Å; A21-L24 PolarHBondContact O-N 3.04Å; A21-W34 HydrophobicContact CB-CG 4.37Å |
| 22 | T | 92.8 | Very high | 91 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 53% | 0.534 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -64.9 | -24.9 | 176.5 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | P20 L24 N25 | P20-T22 PolarHBondContact O-N 3.07Å; T22-L24 PolarHBondContact O-N 3.21Å; T22-N25 WeakPolarHBondContact O-CB 3.45Å; T22-N25 PolarHBondContact O-N 2.77Å; T22-N25 PolarHBondContact O-ND2 3.09Å |
| 23 | E | 92 | Very high | 90.9 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.7 | -25.3 | 175.3 | -72.3 | -68.3 | 123.7 | 0 | 0 | 112.2 | P20 A21 N25 | P20-E23 HydrophobicContact CG-CG 4.15Å; P20-E23 WeakPolarHBondContact O-CB 3.26Å; P20-E23 PolarHBondContact O-N 2.8Å; P20-E23 VanDerWaalsContact O-N 3.13Å; A21-E23 PolarHBondContact O-N 2.98Å; E23-N25 PolarHBondContact O-N 3.21Å |
| 24 | L | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -75.4 | -8.5 | 178.2 | -64.5 | 178.6 | 0 | 0 | 0 | 113.8 | F7 V9 A21 T22 H27 W34 L46 I145 I148 | F7-L24 WeakPolarHBondContact CZ-O 3.13Å; V9-L24 HydrophobicContact CG2-CB 3.97Å; V9-L24 HydrophobicContact CG2-CD1 4.43Å; A21-L24 PolarHBondContact O-N 3.04Å; T22-L24 PolarHBondContact O-N 3.21Å; L24-H27 PolarHBondContact O-CE1 3.27Å; L24-W34 HydrophobicContact CD1-CB 3.63Å; L24-W34 HydrophobicContact CD1-CG 4.3Å; L24-W34 HydrophobicContact CD2-CB 4.23Å; L24-W34 HydrophobicContact CG-CB 3.75Å; L24-L46 HydrophobicContact CD1-CD1 4.37Å; L24-I145 HydrophobicContact CD2-CB 4.38Å; L24-I145 HydrophobicContact CD2-CG2 4Å; L24-I145 WeakPolarHBondContact CD2-O 3.3Å; L24-I148 HydrophobicContact CD1-CD1 3.93Å; L24-I148 HydrophobicContact CD2-CG1 4.33Å |
| 25 | N | 91.4 | Very high | 91.1 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -81.5 | -23.4 | -179.3 | -61.6 | -46.1 | 0 | 0 | 0 | 112.9 | R8 V9 T22 E23 | R8-N25 WeakPolarHBondContact CA-OD1 3.22Å; V9-N25 PolarHBondContact N-OD1 3.04Å; T22-N25 WeakPolarHBondContact O-CB 3.45Å; T22-N25 PolarHBondContact O-N 2.77Å; T22-N25 PolarHBondContact O-ND2 3.09Å; E23-N25 PolarHBondContact O-N 3.21Å |
| 26 | H | 88.1 | Confident | 91.2 | Very high | 144 Ų | 144 | 45.4 Ų | 45.4 | 67% | 0.667 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -135.9 | 137.2 | -176.6 | -52.7 | 96.6 | 0 | 0 | 0 | 109.6 | T31 | H26-T31 PolarHBondContact O-OG1 3.21Š|
| 27 | H | 89.8 | Confident | 91.3 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | trans | -121.8 | 131.5 | -175.6 | -56.2 | -24.8 | 0 | 0 | 0 | 109.6 | L24 I148 L182 D185 M186 | L24-H27 PolarHBondContact O-CE1 3.27Å; H27-I148 PolarHBondContact NE2-N 3.28Å; H27-I148 PolarHBondContact NE2-O 2.57Å; H27-L182 WeakPolarHBondContact CD2-CD1 3.38Å; H27-D185 HydrophobicContact CB-CB 4Å; H27-M186 HydrophobicContact CB-SD 4.27Å | ||
| 28 | H | 86.1 | Confident | 91.5 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 30% | 0.301 | 22% | 0.218 | S | C | . | . | trans | -154.6 | 167.3 | 176.1 | 62.3 | 92.8 | 0 | 0 | 0 | 108.4 | G30 T31 D185 M186 P190 | H28-G30 PolarHBondContact ND1-N 3.38Å; H28-G30 PolarHBondContact O-N 3.05Å; H28-T31 PolarHBondContact CD2-OG1 3.32Å; H28-T31 PolarHBondContact CE1-N 3.05Å; H28-T31 PolarHBondContact N-OG1 3.36Å; H28-T31 PolarHBondContact NE2-OG1 3.31Å; H28-T31 WeakPolarHBondContact O-CB 3.46Å; H28-T31 PolarHBondContact O-N 3.02Å; H28-T31 PolarHBondContact O-OG1 3.33Å; H28-D185 WeakPolarHBondContact CA-O 3.31Å; H28-M186 WeakPolarHBondContact O-CE 3.38Å; H28-P190 HydrophobicContact CB-CG 3.68Å | ||
| 29 | P | 84.4 | Confident | 91.6 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.5 | -177.8 | -30.5 | 35.5 | 0 | 0 | 0 | 115 | M186 Q188 L237 | P29-M186 VanDerWaalsContact CA-O 3.23Å; P29-M186 WeakPolarHBondContact CA-O 3.48Å; P29-M186 WeakPolarHBondContact CG-O 3.29Å; P29-Q188 WeakPolarHBondContact CD-O 3.24Å; P29-L237 HydrophobicContact CB-CD1 3.91Å; P29-L237 HydrophobicContact CB-CD2 4.45Å; P29-L237 HydrophobicContact CB-CG 3.89Å; P29-L237 WeakPolarHBondContact O-CD2 3.38Å |
| 30 | G | 83.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.4 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | H28 K32 Q240 | H28-G30 PolarHBondContact ND1-N 3.38Å; H28-G30 PolarHBondContact O-N 3.05Å; G30-K32 PolarHBondContact O-N 3.13Å; G30-Q240 PolarHBondContact O-OE1 2.85Å |
| 31 | T | 89 | Confident | 91.5 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | trans | -62.8 | 127.2 | -178.2 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | H26 H28 | H26-T31 PolarHBondContact O-OG1 3.21Å; H28-T31 PolarHBondContact CD2-OG1 3.32Å; H28-T31 PolarHBondContact CE1-N 3.05Å; H28-T31 PolarHBondContact N-OG1 3.36Å; H28-T31 PolarHBondContact NE2-OG1 3.31Å; H28-T31 WeakPolarHBondContact O-CB 3.46Å; H28-T31 PolarHBondContact O-N 3.02Å; H28-T31 PolarHBondContact O-OG1 3.33Å | ||
| 32 | K | 88.3 | Confident | 91.4 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | trans | -84.6 | -33.4 | 179.2 | -64.5 | -170.7 | 177.8 | -165.7 | 0 | 112.1 | F19 G30 E244 | F19-K32 HydrophobicContact CD1-CB 3.9Å; F19-K32 HydrophobicContact CE1-CB 3.96Å; F19-K32 HydrophobicContact CE1-CD 4.35Å; G30-K32 PolarHBondContact O-N 3.13Å; K32-E244 WeakPolarHBondContact CE-OE1 3.5Å; K32-E244 IonicContact NZ-OE1 3.79Å; K32-E244 PolarHBondContact NZ-OE1 3.05Å | ||
| 33 | G | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 83.3 | -167.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I145 V146 | G33-I145 CarbonylContact C-O 3.51Å; G33-V146 VanDerWaalsContact CA-O 3.31Å; G33-V146 WeakPolarHBondContact CA-O 3.36Å | ||
| 34 | W | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140 | -179.1 | 168.9 | 75.1 | 0 | 0 | 0 | 111.7 | V12 S14 A21 L24 Q44 L46 L129 V143 G144 I145 | V12-W34 HydrophobicContact CG2-CZ2 3.98Å; S14-W34 WeakPolarHBondContact O-CZ2 3.22Å; S14-W34 PolarHBondContact O-NE1 3Å; A21-W34 HydrophobicContact CB-CG 4.37Å; L24-W34 HydrophobicContact CD1-CB 3.63Å; L24-W34 HydrophobicContact CD1-CG 4.3Å; L24-W34 HydrophobicContact CD2-CB 4.23Å; L24-W34 HydrophobicContact CG-CB 3.75Å; W34-Q44 HydrophobicContact CH2-CB 4.14Å; W34-L46 HydrophobicContact CD2-CD1 4.11Å; W34-L46 HydrophobicContact CD2-CD2 4.34Å; W34-L46 HydrophobicContact CE3-CD1 3.76Å; W34-L46 HydrophobicContact CH2-CD1 4.14Å; W34-L46 HydrophobicContact CH2-CG 4.46Å; W34-L46 HydrophobicContact CZ2-CD1 4.48Å; W34-L46 HydrophobicContact CZ2-CD2 4.45Å; W34-L46 HydrophobicContact CZ2-CG 4.48Å; W34-L46 HydrophobicContact CZ3-CD1 3.78Å; W34-L129 HydrophobicContact CH2-CD1 4.41Å; W34-L129 HydrophobicContact CH2-CD2 4.29Å; W34-L129 HydrophobicContact CZ3-CD1 4.29Å; W34-L129 HydrophobicContact CZ3-CD2 3.72Å; W34-V143 HydrophobicContact CH2-CG2 4.15Å; W34-V143 HydrophobicContact CZ3-CG2 4.4Å; W34-G144 CarbonylContact O-C 3.59Å; W34-G144 WeakPolarHBondContact O-CA 3.5Å; W34-I145 HydrophobicContact CE3-CB 4.33Å; W34-I145 HydrophobicContact CE3-CG1 4.35Å; W34-I145 HydrophobicContact CZ3-CG1 4.47Å; W34-I145 PolarHBondContact N-O 3.35Å; W34-I145 PolarHBondContact O-N 3Å |
| 35 | V | 96.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.3 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | Q15 D16 F19 L67 Q142 | Q15-V35 CarbonylContact C-O 3.56Å; Q15-V35 VanDerWaalsContact CA-O 3.3Å; Q15-V35 WeakPolarHBondContact CA-O 3.42Å; D16-V35 HydrophobicContact CB-CB 4.35Å; D16-V35 PolarHBondContact N-O 2.95Å; F19-V35 HydrophobicContact CB-CB 3.68Å; F19-V35 HydrophobicContact CB-CG2 3.68Å; F19-V35 HydrophobicContact CD1-CG2 4Å; F19-V35 HydrophobicContact CD2-CB 4.14Å; F19-V35 HydrophobicContact CD2-CG2 3.97Å; F19-V35 HydrophobicContact CG-CB 4Å; F19-V35 HydrophobicContact CG-CG2 3.61Å; F19-V35 PolarHBondContact O-N 3.32Å; V35-L67 HydrophobicContact CB-CD1 4.48Å; V35-L67 HydrophobicContact CG1-CD1 3.65Å; V35-L67 HydrophobicContact CG2-CD1 3.9Å; V35-Q142 HydrophobicContact CG1-CB 4.02Å; V35-Q142 HydrophobicContact CG1-CG 4.46Å |
| 36 | S | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 161.4 | 174.9 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | C40 Q142 V143 | S36-C40 PolarHBondContact OG-SG 3.01Å; S36-Q142 PolarHBondContact O-NE2 3.46Å; S36-Q142 WeakPolarHBondContact OG-CA 3.4Å; S36-V143 PolarHBondContact N-O 3.4Å; S36-V143 PolarHBondContact OG-N 3.17Å; S36-V143 PolarHBondContact OG-O 2.76Å |
| 37 | A | 95.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 153.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S14 F39 C40 | S14-A37 PolarHBondContact OG-N 3.49Å; A37-F39 PolarHBondContact O-N 3.05Å; A37-C40 WeakPolarHBondContact O-CB 3.18Å; A37-C40 PolarHBondContact O-N 3.49Å |
| 38 | R | 94.6 | Very high | 92.7 | Very high | 131 Ų | 131 | 37.7 Ų | 37.7 | 49% | 0.494 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135.4 | 173.4 | -62.4 | -178.6 | -171.4 | 176.3 | -0.1 | 110.1 | D16 C40 Y140 | D16-R38 IonicContact OD2-NE 2.6Å; R38-C40 VanDerWaalsContact C-N 3.28Å; R38-C40 PolarHBondContact O-N 3.16Å; R38-Y140 HydrophobicContact CB-CG 4.26Å; R38-Y140 HydrophobicContact CG-CD1 4.39Å; R38-Y140 HydrophobicContact CG-CD2 4.12Å; R38-Y140 HydrophobicContact CG-CG 3.87Å |
| 39 | F | 91.8 | Very high | 93.1 | Very high | 144 Ų | 144 | 35.8 Ų | 35.8 | 63% | 0.632 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.8 | -178.9 | -50.9 | -69.3 | 0 | 0 | 0 | 114.4 | A37 Y140 | A37-F39 PolarHBondContact O-N 3.05Å; F39-Y140 WeakPolarHBondContact CA-O 3.2Å; F39-Y140 AromaticContact CE2-CD1 3.84Å; F39-Y140 HydrophobicContact CE2-CD1 3.84Å; F39-Y140 AromaticContact CZ-CD1 3.74Å; F39-Y140 HydrophobicContact CZ-CD1 3.74Å; F39-Y140 PolarHBondContact N-O 3.07Å |
| 40 | C | 91.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -68 | 147.4 | -178.9 | 67 | 0 | 0 | 0 | 0 | 112.8 | S36 A37 R38 Q44 | S36-C40 PolarHBondContact OG-SG 3.01Å; A37-C40 WeakPolarHBondContact O-CB 3.18Å; A37-C40 PolarHBondContact O-N 3.49Å; R38-C40 VanDerWaalsContact C-N 3.28Å; R38-C40 PolarHBondContact O-N 3.16Å; C40-Q44 HydrophobicContact CB-CG 4.39Å |
| 41 | P | 93.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 67% | 0.669 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -70.7 | 146.2 | 172 | 29.7 | -34.3 | 0 | 0 | 0 | 111.1 | Q44 | P41-Q44 PolarHBondContact O-NE2 2.82Š|
| 42 | Y | 91.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 28% | 0.282 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -103.1 | 147 | 177.7 | -66 | -72.7 | 0 | 0 | 0 | 111.9 | H130 K131 N132 S141 V143 | Y42-H130 VanDerWaalsContact CD1-C 3.42Å; Y42-H130 WeakPolarHBondContact CD1-O 3.44Å; Y42-H130 WeakPolarHBondContact CE1-O 3.31Å; Y42-K131 HydrophobicContact CD2-CB 4.1Å; Y42-K131 HydrophobicContact CE2-CB 4.34Å; Y42-K131 HydrophobicContact CG-CB 4.27Å; Y42-N132 WeakPolarHBondContact OH-CB 3.38Å; Y42-N132 PolarHBondContact OH-N 3.04Å; Y42-N132 PolarHBondContact OH-OD1 2.91Å; Y42-S141 PolarHBondContact OH-O 3.2Å; Y42-V143 HydrophobicContact CE1-CG1 3.76Å; Y42-V143 HydrophobicContact CE1-CG2 4.19Å |
| 43 | P | 95.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | S | Bend | cis | -82.2 | 150.2 | -1.4 | 33 | -35 | 0 | 0 | 0 | 113.8 | F128 L129 | P43-F128 HydrophobicContact CB-CB 4.3Å; P43-F128 HydrophobicContact CB-CD1 4.07Å; P43-F128 HydrophobicContact CG-CD1 3.82Å; P43-F128 HydrophobicContact CG-CE1 4.37Å; P43-L129 CarbonylContact C-O 3.59Å; P43-L129 WeakPolarHBondContact CA-O 3.39Å; P43-L129 WeakPolarHBondContact CB-O 3.19Å |
| 44 | Q | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136.7 | 170 | -69.7 | -65.4 | -58.6 | 0 | 0 | 110.5 | S13 S14 W34 C40 P41 F128 L129 V143 | S13-Q44 WeakPolarHBondContact OG-CA 3.46Å; S13-Q44 VanDerWaalsContact OG-CD 3.25Å; S13-Q44 PolarHBondContact OG-OE1 3.1Å; S14-Q44 PolarHBondContact OG-OE1 2.85Å; W34-Q44 HydrophobicContact CH2-CB 4.14Å; C40-Q44 HydrophobicContact CB-CG 4.39Å; P41-Q44 PolarHBondContact O-NE2 2.82Å; Q44-F128 CarbonylContact O-C 3.59Å; Q44-F128 WeakPolarHBondContact O-CA 3.49Å; Q44-L129 HydrophobicContact CB-CB 4.28Å; Q44-L129 PolarHBondContact N-O 2.96Å; Q44-L129 PolarHBondContact O-N 3.5Å; Q44-V143 HydrophobicContact CB-CG2 4.33Å; Q44-V143 HydrophobicContact CG-CG2 4.07Å |
| 45 | K | 95.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 46 Ų | 46 | 22% | 0.222 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.8 | -174.8 | 176.3 | 174.1 | 165.9 | 159.8 | 0 | 111 | Y11 V12 S13 I47 Q126 L127 F128 | Y11-K45 HydrophobicContact CD1-CD 4.21Å; Y11-K45 HydrophobicContact CD1-CG 4.05Å; Y11-K45 HydrophobicContact CE1-CB 4.11Å; Y11-K45 HydrophobicContact CE1-CD 3.78Å; Y11-K45 HydrophobicContact CE1-CG 3.81Å; V12-K45 CarbonylContact C-O 3.57Å; V12-K45 WeakPolarHBondContact CA-O 3.3Å; S13-K45 PolarHBondContact N-O 3.48Å; S13-K45 PolarHBondContact OG-N 2.97Å; S13-K45 PolarHBondContact OG-O 3.47Å; K45-I47 HydrophobicContact CG-CG1 4.41Å; K45-Q126 VanDerWaalsContact CE-CD 3.47Å; K45-Q126 HydrophobicContact CG-CG 4.33Å; K45-L127 WeakPolarHBondContact CA-O 3.41Å; K45-F128 HydrophobicContact CB-CD1 4.13Å; K45-F128 HydrophobicContact CB-CE1 4.03Å; K45-F128 HydrophobicContact CD-CE1 4.05Å; K45-F128 HydrophobicContact CD-CZ 4.18Å; K45-F128 HydrophobicContact CG-CE1 4.2Å |
| 46 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.5 | 170 | -74.7 | 166 | 0 | 0 | 0 | 109.5 | V9 Y11 V12 L24 W34 Q126 L127 L129 I145 | V9-L46 HydrophobicContact CG1-CD2 4.18Å; Y11-L46 WeakPolarHBondContact O-CA 3.24Å; V12-L46 HydrophobicContact CB-CD2 3.84Å; V12-L46 HydrophobicContact CG2-CD2 3.54Å; L24-L46 HydrophobicContact CD1-CD1 4.37Å; W34-L46 HydrophobicContact CD2-CD1 4.11Å; W34-L46 HydrophobicContact CD2-CD2 4.34Å; W34-L46 HydrophobicContact CE3-CD1 3.76Å; W34-L46 HydrophobicContact CH2-CD1 4.14Å; W34-L46 HydrophobicContact CH2-CG 4.46Å; W34-L46 HydrophobicContact CZ2-CD1 4.48Å; W34-L46 HydrophobicContact CZ2-CD2 4.45Å; W34-L46 HydrophobicContact CZ2-CG 4.48Å; W34-L46 HydrophobicContact CZ3-CD1 3.78Å; L46-Q126 WeakPolarHBondContact O-CA 3.33Å; L46-L127 HydrophobicContact CB-CB 4.33Å; L46-L127 PolarHBondContact N-O 3.25Å; L46-L127 PolarHBondContact O-N 2.97Å; L46-L129 HydrophobicContact CD1-CD1 3.96Å; L46-L129 HydrophobicContact CG-CD1 4.46Å; L46-I145 HydrophobicContact CD1-CD1 4.09Å |
| 47 | I | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.1 | 172.4 | -53.8 | 169.3 | 0 | 0 | 0 | 110 | V10 Y11 K45 F87 Y124 I125 Q126 | V10-I47 HydrophobicContact CG2-CB 4.01Å; V10-I47 HydrophobicContact CG2-CG2 3.79Å; V10-I47 WeakPolarHBondContact CG2-O 3.44Å; V10-I47 PolarHBondContact N-O 3.2Å; Y11-I47 HydrophobicContact CD1-CD1 3.86Å; Y11-I47 HydrophobicContact CD1-CG1 4.07Å; Y11-I47 HydrophobicContact CG-CD1 4.06Å; Y11-I47 PolarHBondContact O-N 2.95Å; K45-I47 HydrophobicContact CG-CG1 4.41Å; I47-F87 HydrophobicContact CD1-CB 4.39Å; I47-F87 HydrophobicContact CD1-CD2 3.53Å; I47-F87 HydrophobicContact CD1-CE2 4.14Å; I47-F87 HydrophobicContact CD1-CG 4.25Å; I47-F87 HydrophobicContact CG2-CB 4.16Å; I47-Y124 HydrophobicContact CG2-CD1 4.34Å; I47-I125 CarbonylContact C-O 3.56Å; I47-I125 WeakPolarHBondContact CA-O 3.46Å; I47-Q126 HydrophobicContact CG1-CB 4.24Å; I47-Q126 HydrophobicContact CG1-CG 4.13Å |
| 48 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.8 | 175.6 | -45.7 | 179.5 | 0 | 0 | 0 | 108.1 | F7 R8 V9 Y124 I125 I148 L150 | F7-L48 HydrophobicContact CD2-CB 4.07Å; F7-L48 HydrophobicContact CD2-CD1 4.2Å; F7-L48 HydrophobicContact CD2-CD2 3.92Å; F7-L48 HydrophobicContact CD2-CG 4.28Å; F7-L48 HydrophobicContact CE2-CD1 4.24Å; F7-L48 HydrophobicContact CE2-CD2 3.92Å; F7-L48 HydrophobicContact CG-CB 4.5Å; R8-L48 WeakPolarHBondContact O-CA 3.14Å; V9-L48 HydrophobicContact CB-CD2 4.33Å; V9-L48 HydrophobicContact CG1-CD2 4.46Å; V9-L48 HydrophobicContact CG2-CD2 3.66Å; L48-Y124 CarbonylContact O-C 3.53Å; L48-Y124 VanDerWaalsContact O-CA 3.31Å; L48-Y124 WeakPolarHBondContact O-CA 3.35Å; L48-I125 HydrophobicContact CB-CB 4.35Å; L48-I125 HydrophobicContact CD1-CB 4.5Å; L48-I125 HydrophobicContact CD1-CG2 4.39Å; L48-I125 PolarHBondContact N-O 3.45Å; L48-I125 PolarHBondContact O-N 2.65Å; L48-I148 HydrophobicContact CD1-CD1 4.4Å; L48-I148 HydrophobicContact CD1-CG2 3.97Å; L48-L150 HydrophobicContact CD1-CD1 4.17Å; L48-L150 HydrophobicContact CD1-CD2 4.45Å |
| 49 | S | 94.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 43 Ų | 43 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.6 | 171.5 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | F7 R8 V10 Y124 | F7-S49 CarbonylContact C-O 3.53Å; F7-S49 VanDerWaalsContact CA-O 3.25Å; F7-S49 WeakPolarHBondContact CA-O 3.45Å; F7-S49 WeakPolarHBondContact CB-O 3.48Å; R8-S49 PolarHBondContact N-O 2.73Å; R8-S49 PolarHBondContact O-N 3.08Å; V10-S49 VanDerWaalsContact CG1-CB 3.45Å; S49-Y124 WeakPolarHBondContact OG-CE1 3.48Å |
| 50 | L | 92.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 162.6 | 169.8 | -66.5 | 122.6 | 0 | 0 | 0 | 110.3 | L5 A52 A54 F56 S123 L150 | L5-L50 HydrophobicContact CB-CD2 3.64Å; L5-L50 HydrophobicContact CD1-CD2 3.94Å; L5-L50 HydrophobicContact CG-CD2 4.37Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 WeakPolarHBondContact CB-O 3.04Å; L50-A54 HydrophobicContact CD2-CB 4.47Å; L50-F56 HydrophobicContact CD1-CE1 3.53Å; L50-F56 HydrophobicContact CD1-CZ 3.28Å; L50-F56 HydrophobicContact CD2-CE1 4.01Å; L50-F56 HydrophobicContact CG-CE1 4.41Å; L50-S123 WeakPolarHBondContact CD1-O 3.43Å; L50-S123 PolarHBondContact N-O 2.93Å; L50-L150 HydrophobicContact CD2-CD1 4.21Å |
| 51 | E | 86.6 | Confident | 92.9 | Very high | 154 Ų | 154 | 35.8 Ų | 35.8 | 72% | 0.72 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -32.8 | 175.2 | -65.9 | -175.6 | 164.5 | 0 | 0 | 112.4 | P6 | P6-E51 HydrophobicContact CB-CG 4.33Å; P6-E51 HydrophobicContact CG-CG 4.13Å; P6-E51 WeakPolarHBondContact CG-OE2 3.44Å |
| 52 | A | 86.9 | Confident | 93 | Very high | 47 Ų | 47 | 32 Ų | 32 | 39% | 0.388 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | L50 A54 F154 | L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 WeakPolarHBondContact CB-O 3.04Å; A52-A54 PolarHBondContact O-N 3.23Å; A52-F154 HydrophobicContact CB-CD1 3.7Å; A52-F154 HydrophobicContact CB-CE1 3.9Å |
| 53 | K | 90.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 36% | 0.361 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 127.8 | 175.5 | -175.7 | 170.4 | 175.1 | 165.5 | 0 | 110 | D78 I155 | K53-D78 WeakPolarHBondContact CD-OD2 3.47Å; K53-D78 WeakPolarHBondContact CE-OD2 3.36Å; K53-D78 IonicContact NZ-OD2 2.62Å; K53-D78 PolarHBondContact NZ-OD2 3.34Å; K53-I155 HydrophobicContact CG-CD1 4.36Å; K53-I155 PolarHBondContact O-N 3.39Å |
| 54 | A | 91.2 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L5 L50 A52 S121 G122 D153 F154 | L5-A54 HydrophobicContact CD1-CB 3.6Å; L5-A54 HydrophobicContact CD2-CB 4.02Å; L5-A54 HydrophobicContact CG-CB 4.45Å; L50-A54 HydrophobicContact CD2-CB 4.47Å; A52-A54 PolarHBondContact O-N 3.23Å; A54-S121 CarbonylContact O-C 3.58Å; A54-S121 VanDerWaalsContact O-CA 3.24Å; A54-S121 WeakPolarHBondContact O-CA 3.43Å; A54-G122 PolarHBondContact N-O 3.43Å; A54-G122 PolarHBondContact O-N 3.08Å; A54-D153 CarbonylContact C-O 3.52Å; A54-D153 WeakPolarHBondContact CA-O 3.33Å; A54-F154 HydrophobicContact CB-CD1 3.92Å; A54-F154 HydrophobicContact CB-CE1 4.31Å |
| 55 | S | 92.1 | Very high | 92.8 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 25% | 0.252 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.2 | 165.5 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | G152 D153 | S55-G152 CarbonylContact O-C 3.56Å; S55-G152 WeakPolarHBondContact O-CA 3.11Å; S55-D153 PolarHBondContact N-O 3.03Å; S55-D153 PolarHBondContact O-N 3.34Å |
| 56 | F | 91.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 144.1 | 177.2 | -54 | -74.9 | 0 | 0 | 0 | 110.3 | L5 L50 V76 I118 A120 I125 L150 | L5-F56 HydrophobicContact CD1-CD1 3.9Å; L5-F56 HydrophobicContact CD1-CE1 4.02Å; L50-F56 HydrophobicContact CD1-CE1 3.53Å; L50-F56 HydrophobicContact CD1-CZ 3.28Å; L50-F56 HydrophobicContact CD2-CE1 4.01Å; L50-F56 HydrophobicContact CG-CE1 4.41Å; F56-V76 HydrophobicContact CD2-CG2 4.17Å; F56-V76 HydrophobicContact CE2-CG2 3.58Å; F56-I118 CarbonylContact C-O 3.49Å; F56-I118 HydrophobicContact CB-CG2 4.24Å; F56-A120 VanDerWaalsContact CD2-O 3.25Å; F56-A120 WeakPolarHBondContact CD2-O 3.41Å; F56-A120 PolarHBondContact N-O 2.87Å; F56-I125 HydrophobicContact CD1-CD1 3.77Å; F56-I125 HydrophobicContact CD2-CD1 4.38Å; F56-I125 HydrophobicContact CE1-CD1 3.46Å; F56-I125 VanDerWaalsContact CE1-CD1 3.46Å; F56-I125 HydrophobicContact CE1-CG1 3.89Å; F56-I125 HydrophobicContact CE2-CD1 4.14Å; F56-I125 HydrophobicContact CE2-CG1 4.12Å; F56-I125 HydrophobicContact CG-CD1 4.22Å; F56-I125 HydrophobicContact CZ-CD1 3.66Å; F56-I125 HydrophobicContact CZ-CG1 3.6Å; F56-L150 HydrophobicContact CE1-CD1 4.45Å |
| 57 | R | 89.7 | Confident | 92.6 | Very high | 77 Ų | 77 | 29.6 Ų | 29.6 | 29% | 0.291 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -40.3 | 169.9 | -66.7 | -144.5 | -171.4 | -161.2 | 10.5 | 113.2 | P2 H117 I118 I151 D153 P173 D174 | P2-R57 HydrophobicContact CB-CG 4.35Å; R57-H117 WeakPolarHBondContact O-CA 3.21Å; R57-I118 CarbonylContact C-O 3.59Å; R57-I118 WeakPolarHBondContact CA-O 3.37Å; R57-I118 PolarHBondContact O-N 3.38Å; R57-I151 PolarHBondContact N-O 3.28Å; R57-D153 IonicContact NE-OD2 2.75Å; R57-D153 IonicContact NH2-OD2 3.75Å; R57-P173 VanDerWaalsContact NH1-C 3.34Å; R57-P173 PolarHBondContact NH1-O 3.28Å; R57-D174 IonicContact NH1-OD1 3.88Å; R57-D174 PolarHBondContact NH1-OD1 3.3Å |
| 58 | K | 92.1 | Very high | 92.5 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137.8 | -175.6 | -168.2 | -177.2 | -179.3 | -164.6 | 0 | 110.9 | Q60 S115 V116 I151 I176 D181 | K58-Q60 HydrophobicContact CD-CG 4.33Å; K58-Q60 HydrophobicContact CG-CG 4.33Å; K58-S115 VanDerWaalsContact CE-CB 3.43Å; K58-S115 VanDerWaalsContact CE-OG 3.3Å; K58-S115 WeakPolarHBondContact CE-OG 3.4Å; K58-V116 CarbonylContact C-O 3.49Å; K58-V116 VanDerWaalsContact CA-O 3.3Å; K58-V116 WeakPolarHBondContact CA-O 3.17Å; K58-I151 HydrophobicContact CB-CB 4.22Å; K58-I151 HydrophobicContact CB-CD1 4.38Å; K58-I151 HydrophobicContact CD-CD1 4.24Å; K58-I151 PolarHBondContact N-O 3.1Å; K58-I151 VanDerWaalsContact N-O 3.13Å; K58-I151 PolarHBondContact O-N 3.34Å; K58-I176 HydrophobicContact CB-CD1 4.02Å; K58-I176 HydrophobicContact CD-CD1 3.52Å; K58-I176 HydrophobicContact CG-CD1 4.44Å; K58-D181 IonicContact NZ-OD2 3.72Å |
| 59 | I | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132 | 169.5 | -61.6 | -177.9 | 0 | 0 | 0 | 108 | L61 F74 S115 V116 I118 I125 N149 L150 | I59-L61 HydrophobicContact CG2-CD2 4.2Å; I59-L61 HydrophobicContact CG2-CG 4.29Å; I59-F74 HydrophobicContact CD1-CD1 4.28Å; I59-F74 HydrophobicContact CG2-CE1 4.29Å; I59-S115 CarbonylContact O-C 3.58Å; I59-S115 WeakPolarHBondContact O-CA 3.41Å; I59-V116 PolarHBondContact N-O 2.67Å; I59-V116 PolarHBondContact O-N 3.19Å; I59-I118 HydrophobicContact CB-CD1 4.24Å; I59-I118 HydrophobicContact CD1-CD1 3.21Å; I59-I118 HydrophobicContact CG1-CD1 3.64Å; I59-I125 HydrophobicContact CD1-CD1 3.5Å; I59-I125 VanDerWaalsContact CD1-CD1 3.5Å; I59-I125 HydrophobicContact CG1-CD1 4.37Å; I59-N149 CarbonylContact C-O 3.47Å; I59-N149 WeakPolarHBondContact CA-O 3.15Å; I59-L150 HydrophobicContact CB-CD2 4.34Å; I59-L150 HydrophobicContact CD1-CD2 4.01Å; I59-L150 HydrophobicContact CG1-CD2 3.74Å; I59-L150 HydrophobicContact CG2-CD2 3.97Å |
| 60 | Q | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.5 | 175.2 | -49 | 179 | -74.1 | 0 | 0 | 109.6 | K58 L113 K114 I148 N149 I151 D181 L182 | K58-Q60 HydrophobicContact CD-CG 4.33Å; K58-Q60 HydrophobicContact CG-CG 4.33Å; Q60-L113 HydrophobicContact CB-CD1 4.26Å; Q60-K114 CarbonylContact C-O 3.59Å; Q60-K114 VanDerWaalsContact CA-O 3.31Å; Q60-K114 WeakPolarHBondContact CA-O 3.18Å; Q60-I148 CarbonylContact O-C 3.52Å; Q60-I148 WeakPolarHBondContact O-CA 3.38Å; Q60-N149 HydrophobicContact CB-CB 4.03Å; Q60-N149 HydrophobicContact CG-CB 4.46Å; Q60-N149 PolarHBondContact N-O 3.14Å; Q60-N149 PolarHBondContact O-N 3.39Å; Q60-N149 PolarHBondContact OE1-ND2 3.39Å; Q60-I151 HydrophobicContact CG-CD1 4.42Å; Q60-D181 VanDerWaalsContact NE2-CG 3.26Å; Q60-D181 PolarHBondContact NE2-OD1 2.78Å; Q60-D181 PolarHBondContact NE2-OD2 3.17Å; Q60-D181 VanDerWaalsContact NE2-OD2 3.1Å; Q60-L182 HydrophobicContact CB-CB 4.26Å; Q60-L182 HydrophobicContact CB-CD2 4.23Å |
| 61 | L | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | 178.4 | -60.4 | 176.8 | 0 | 0 | 0 | 109 | I59 I72 F74 L113 K114 L127 I148 | I59-L61 HydrophobicContact CG2-CD2 4.2Å; I59-L61 HydrophobicContact CG2-CG 4.29Å; L61-I72 HydrophobicContact CD1-CD1 3.94Å; L61-I72 HydrophobicContact CD1-CG2 4.37Å; L61-F74 HydrophobicContact CD1-CE1 3.77Å; L61-F74 HydrophobicContact CD1-CZ 3.57Å; L61-L113 CarbonylContact O-C 3.54Å; L61-L113 WeakPolarHBondContact O-CA 3.49Å; L61-K114 HydrophobicContact CB-CB 4.48Å; L61-K114 PolarHBondContact N-O 3.18Å; L61-K114 PolarHBondContact O-N 2.81Å; L61-L127 HydrophobicContact CD2-CD1 4.4Å; L61-I148 HydrophobicContact CD2-CB 4.25Å; L61-I148 HydrophobicContact CD2-CD1 4.1Å; L61-I148 HydrophobicContact CD2-CG1 3.73Å; L61-I148 HydrophobicContact CD2-CG2 3.91Å |
| 62 | L | 94.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 24.3 Ų | 24.3 | 12% | 0.115 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 107 | 169 | -175 | 65.2 | 0 | 0 | 0 | 108.6 | R111 L113 V146 A147 L182 M186 | L62-R111 HydrophobicContact CD1-CB 3.79Å; L62-R111 HydrophobicContact CG-CB 4.37Å; L62-L113 HydrophobicContact CB-CD1 4.35Å; L62-L113 HydrophobicContact CD1-CB 4.15Å; L62-L113 HydrophobicContact CD1-CD1 4.48Å; L62-V146 HydrophobicContact CB-CB 4.41Å; L62-V146 HydrophobicContact CD2-CB 4.08Å; L62-V146 HydrophobicContact CD2-CG1 3.93Å; L62-V146 HydrophobicContact CG-CB 4.09Å; L62-V146 HydrophobicContact CG-CG1 4.49Å; L62-V146 WeakPolarHBondContact O-CB 3.44Å; L62-V146 PolarHBondContact O-N 3.43Å; L62-A147 HydrophobicContact CB-CB 4.2Å; L62-A147 PolarHBondContact N-O 3.44Å; L62-A147 PolarHBondContact O-N 2.96Å; L62-L182 HydrophobicContact CB-CD2 3.98Å; L62-M186 HydrophobicContact CD2-CG 4.28Å; L62-M186 HydrophobicContact CD2-SD 4.48Å |
| 63 | C | 93.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 152.7 | -177.8 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | L100 R111 E112 | C63-L100 HydrophobicContact CB-CD1 4.3Å; C63-L100 WeakPolarHBondContact SG-CD1 3.31Å; C63-R111 WeakPolarHBondContact O-CB 3.35Å; C63-E112 PolarHBondContact N-O 3.4Å |
| 64 | H | 93.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 7% | 0.069 | 9% | 0.092 | C | C | . | . | trans | -63.9 | 149.9 | 175.5 | -162.3 | -91.2 | 0 | 0 | 0 | 111.3 | Y66 L67 I68 G144 V146 | H64-Y66 AromaticContact CE1-CD1 3.88Å; H64-Y66 AromaticContact CE1-CE1 3.45Å; H64-Y66 VanDerWaalsContact CE1-CE1 3.45Å; H64-Y66 WeakPolarHBondContact CE1-CE1 3.31Å; H64-Y66 AromaticContact CE1-CE2 3.92Å; H64-Y66 AromaticContact CE1-CZ 3.46Å; H64-Y66 VanDerWaalsContact CE1-CZ 3.46Å; H64-Y66 PolarHBondContact O-N 3.36Å; H64-L67 HydrophobicContact CB-CB 3.86Å; H64-L67 WeakPolarHBondContact ND1-CG 3.43Å; H64-L67 PolarHBondContact ND1-N 3.41Å; H64-I68 WeakPolarHBondContact O-CG1 3.33Å; H64-G144 PolarHBondContact N-O 3.2Å; H64-V146 HydrophobicContact CB-CG2 4.39Å | ||
| 65 | Q | 92.3 | Very high | 94 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -68.9 | -26.4 | -172.6 | 63.9 | -82.6 | 10.9 | 0 | 0 | 114.9 | I68 N103 Y108 A110 R111 | Q65-I68 WeakPolarHBondContact O-CD1 3.31Å; Q65-N103 PolarHBondContact O-ND2 2.78Å; Q65-Y108 VanDerWaalsContact CB-O 3.3Å; Q65-Y108 WeakPolarHBondContact CB-O 3.37Å; Q65-Y108 WeakPolarHBondContact CG-O 3.4Å; Q65-A110 WeakPolarHBondContact CA-O 3.35Å; Q65-A110 WeakPolarHBondContact CB-O 3.39Å; Q65-R111 HydrophobicContact CB-CG 4.08Å |
| 66 | Y | 93.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 20 Ų | 20 | 27% | 0.271 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -133.3 | -7.5 | 174.5 | 58.6 | -99.4 | 0 | 0 | 0 | 115.3 | H64 I68 N135 L137 N138 | H64-Y66 AromaticContact CE1-CD1 3.88Å; H64-Y66 AromaticContact CE1-CE1 3.45Å; H64-Y66 VanDerWaalsContact CE1-CE1 3.45Å; H64-Y66 WeakPolarHBondContact CE1-CE1 3.31Å; H64-Y66 AromaticContact CE1-CE2 3.92Å; H64-Y66 AromaticContact CE1-CZ 3.46Å; H64-Y66 VanDerWaalsContact CE1-CZ 3.46Å; H64-Y66 PolarHBondContact O-N 3.36Å; Y66-I68 VanDerWaalsContact C-N 3.31Å; Y66-I68 PolarHBondContact O-N 2.86Å; Y66-N135 PolarHBondContact O-ND2 3.28Å; Y66-L137 HydrophobicContact CD1-CB 4.22Å; Y66-L137 HydrophobicContact CD1-CD1 3.91Å; Y66-L137 HydrophobicContact CD2-CB 3.77Å; Y66-L137 HydrophobicContact CE2-CB 4.29Å; Y66-L137 HydrophobicContact CG-CB 3.77Å; Y66-L137 HydrophobicContact CG-CD1 4.07Å; Y66-N138 HydrophobicContact CD2-CB 4.39Å |
| 67 | L | 94.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 20 Ų | 20 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -97.8 | 53.7 | 178.9 | -57.3 | 177.7 | 0 | 0 | 0 | 109.8 | V35 H64 N138 Q142 V143 G144 | V35-L67 HydrophobicContact CB-CD1 4.48Å; V35-L67 HydrophobicContact CG1-CD1 3.65Å; V35-L67 HydrophobicContact CG2-CD1 3.9Å; H64-L67 HydrophobicContact CB-CB 3.86Å; H64-L67 WeakPolarHBondContact ND1-CG 3.43Å; H64-L67 PolarHBondContact ND1-N 3.41Å; L67-N138 HydrophobicContact CD2-CB 3.86Å; L67-N138 VanDerWaalsContact CD2-OD1 3.23Å; L67-N138 WeakPolarHBondContact CD2-OD1 3.46Å; L67-Q142 HydrophobicContact CD2-CB 4.13Å; L67-V143 CarbonylContact O-C 3.56Å; L67-V143 WeakPolarHBondContact O-CA 3.36Å; L67-G144 PolarHBondContact O-N 3.34Å |
| 68 | I | 93.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | trans | -93.9 | 129.1 | -164.4 | -54.8 | 159.9 | 0 | 0 | 0 | 110.5 | H64 Q65 Y66 L100 S101 N103 N132 H133 | H64-I68 WeakPolarHBondContact O-CG1 3.33Å; Q65-I68 WeakPolarHBondContact O-CD1 3.31Å; Y66-I68 VanDerWaalsContact C-N 3.31Å; Y66-I68 PolarHBondContact O-N 2.86Å; I68-L100 HydrophobicContact CG2-CB 3.63Å; I68-L100 HydrophobicContact CG2-CD1 3.86Å; I68-L100 HydrophobicContact CG2-CG 4.4Å; I68-S101 WeakPolarHBondContact CG2-O 3.44Å; I68-N103 HydrophobicContact CD1-CB 3.37Å; I68-N132 CarbonylContact O-C 3.59Å; I68-N132 VanDerWaalsContact O-CA 3.22Å; I68-N132 WeakPolarHBondContact O-CA 3.16Å; I68-H133 PolarHBondContact O-N 3.34Å | ||
| 69 | A | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 138.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K71 I72 L100 L129 V143 | A69-K71 PolarHBondContact O-N 3.37Å; A69-I72 HydrophobicContact CB-CG1 4.26Å; A69-L100 WeakPolarHBondContact O-CB 3.13Å; A69-L100 WeakPolarHBondContact O-CD1 3.39Å; A69-L129 HydrophobicContact CB-CB 4.06Å; A69-L129 HydrophobicContact CB-CD2 4.16Å; A69-L129 HydrophobicContact CB-CG 4.49Å; A69-V143 HydrophobicContact CB-CB 4.23Å; A69-V143 HydrophobicContact CB-CG1 3.79Å |
| 70 | S | 94.1 | Very high | 93 | Very high | 24 Ų | 24 | 19.7 Ų | 19.7 | 17% | 0.168 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -64.4 | -30.4 | 178.9 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | L100 K131 | S70-L100 PolarHBondContact O-N 2.59Å; S70-K131 VanDerWaalsContact CB-O 3.22Å; S70-K131 WeakPolarHBondContact CB-O 3.43Å; S70-K131 PolarHBondContact N-O 3.05Å; S70-K131 WeakPolarHBondContact OG-CG 3.5Å; S70-K131 PolarHBondContact OG-O 3.37Å; S70-K131 VanDerWaalsContact OG-O 3.12Å |
| 71 | K | 95 | Very high | 91.8 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 21% | 0.213 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 139.3 | -175.1 | -175.6 | -168.1 | -171.5 | -168.5 | 0 | 110.2 | A69 E73 Y97 V98 H130 | A69-K71 PolarHBondContact O-N 3.37Å; K71-E73 HydrophobicContact CD-CG 4.22Å; K71-E73 WeakPolarHBondContact CE-OE1 3.3Å; K71-E73 HydrophobicContact CG-CG 4.44Å; K71-E73 IonicContact NZ-OE1 3.8Å; K71-E73 PolarHBondContact NZ-OE1 3.15Å; K71-Y97 HydrophobicContact CD-CD2 4.06Å; K71-Y97 HydrophobicContact CD-CG 4.3Å; K71-Y97 HydrophobicContact CG-CD2 3.87Å; K71-Y97 HydrophobicContact CG-CG 4.32Å; K71-V98 CarbonylContact C-O 3.51Å; K71-V98 WeakPolarHBondContact CA-O 3.41Å; K71-H130 HydrophobicContact CB-CB 4.05Å; K71-H130 WeakPolarHBondContact O-CB 3.46Å; K71-H130 PolarHBondContact O-CD2 2.76Å; K71-H130 PolarHBondContact O-N 3.42Å |
| 72 | I | 96.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125 | 170.8 | -56 | -176.3 | 0 | 0 | 0 | 108.9 | L61 A69 F74 Y97 V98 L100 L127 F128 L129 | L61-I72 HydrophobicContact CD1-CD1 3.94Å; L61-I72 HydrophobicContact CD1-CG2 4.37Å; A69-I72 HydrophobicContact CB-CG1 4.26Å; I72-F74 HydrophobicContact CB-CE2 4.35Å; I72-F74 HydrophobicContact CB-CZ 4.39Å; I72-F74 HydrophobicContact CG2-CE1 4.34Å; I72-F74 HydrophobicContact CG2-CE2 4.09Å; I72-F74 HydrophobicContact CG2-CZ 3.91Å; I72-F74 WeakPolarHBondContact O-CE2 3.45Å; I72-Y97 CarbonylContact O-C 3.51Å; I72-Y97 WeakPolarHBondContact O-CA 3.45Å; I72-Y97 WeakPolarHBondContact O-CB 3.27Å; I72-V98 PolarHBondContact N-O 2.86Å; I72-V98 PolarHBondContact O-N 3.5Å; I72-L100 HydrophobicContact CD1-CD1 3.69Å; I72-L100 HydrophobicContact CG1-CD1 4.06Å; I72-L127 HydrophobicContact CG2-CB 4.47Å; I72-F128 CarbonylContact C-O 3.49Å; I72-F128 VanDerWaalsContact CA-O 3.3Å; I72-F128 WeakPolarHBondContact CA-O 3.34Å; I72-L129 HydrophobicContact CD1-CD2 4.41Å; I72-L129 HydrophobicContact CD1-CG 4.38Å; I72-L129 HydrophobicContact CG1-CG 4.23Å |
| 73 | E | 96.2 | Very high | 89.2 | Confident | 25 Ų | 25 | 39 Ų | 39 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 142.2 | 174.3 | -51.2 | -168.6 | 127.2 | 0 | 0 | 111.2 | K71 F75 R94 G96 L127 F128 H130 | K71-E73 HydrophobicContact CD-CG 4.22Å; K71-E73 WeakPolarHBondContact CE-OE1 3.3Å; K71-E73 HydrophobicContact CG-CG 4.44Å; K71-E73 IonicContact NZ-OE1 3.8Å; K71-E73 PolarHBondContact NZ-OE1 3.15Å; E73-F75 HydrophobicContact CB-CE2 3.96Å; E73-R94 IonicContact OE1-CZ 3.39Å; E73-R94 IonicContact OE1-NH2 2.91Å; E73-R94 PolarHBondContact OE1-NH2 3.47Å; E73-G96 WeakPolarHBondContact CA-O 3.31Å; E73-L127 WeakPolarHBondContact O-CA 3.48Å; E73-F128 HydrophobicContact CB-CB 4.25Å; E73-F128 PolarHBondContact N-O 2.98Å; E73-F128 PolarHBondContact O-N 2.74Å; E73-H130 WeakPolarHBondContact CG-NE2 3.33Å; E73-H130 IonicContact OE2-CE1 3.88Å; E73-H130 IonicContact OE2-NE2 3.71Å; E73-H130 PolarHBondContact OE2-NE2 3.29Å |
| 74 | F | 96.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.9 | -173.5 | -58.8 | -96.9 | 0 | 0 | 0 | 110.7 | I59 L61 I72 L95 G96 V98 V116 L127 | I59-F74 HydrophobicContact CD1-CD1 4.28Å; I59-F74 HydrophobicContact CG2-CE1 4.29Å; L61-F74 HydrophobicContact CD1-CE1 3.77Å; L61-F74 HydrophobicContact CD1-CZ 3.57Å; I72-F74 HydrophobicContact CB-CE2 4.35Å; I72-F74 HydrophobicContact CB-CZ 4.39Å; I72-F74 HydrophobicContact CG2-CE1 4.34Å; I72-F74 HydrophobicContact CG2-CE2 4.09Å; I72-F74 HydrophobicContact CG2-CZ 3.91Å; I72-F74 WeakPolarHBondContact O-CE2 3.45Å; F74-L95 HydrophobicContact CB-CB 4.14Å; F74-L95 HydrophobicContact CB-CD1 4.32Å; F74-L95 PolarHBondContact O-N 3.37Å; F74-G96 PolarHBondContact N-O 3.43Å; F74-V98 HydrophobicContact CE2-CB 3.97Å; F74-V98 HydrophobicContact CE2-CG2 3.65Å; F74-V98 HydrophobicContact CZ-CG2 4.32Å; F74-V116 HydrophobicContact CE2-CG2 4.39Å; F74-V116 HydrophobicContact CZ-CG2 4.01Å; F74-L127 HydrophobicContact CD1-CD2 3.29Å; F74-L127 HydrophobicContact CE1-CD2 3.61Å; F74-L127 HydrophobicContact CG-CD2 4.18Å |
| 75 | F | 95.9 | Very high | 87.1 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.3 | 176.1 | -66.3 | -106.2 | 0 | 0 | 0 | 109.2 | E73 Y92 T93 R94 I125 Q126 F128 | E73-F75 HydrophobicContact CB-CE2 3.96Å; F75-Y92 HydrophobicContact CB-CD1 4.3Å; F75-T93 CarbonylContact C-O 3.59Å; F75-T93 VanDerWaalsContact CA-O 3.22Å; F75-T93 WeakPolarHBondContact CA-O 3.33Å; F75-R94 HydrophobicContact CD1-CB 3.81Å; F75-R94 HydrophobicContact CD1-CG 4.28Å; F75-R94 HydrophobicContact CE1-CB 3.52Å; F75-R94 HydrophobicContact CE1-CG 3.78Å; F75-R94 HydrophobicContact CE2-CG 4.28Å; F75-R94 HydrophobicContact CZ-CB 4.06Å; F75-R94 HydrophobicContact CZ-CG 3.77Å; F75-I125 WeakPolarHBondContact O-CA 3.48Å; F75-Q126 HydrophobicContact CB-CB 4.05Å; F75-Q126 PolarHBondContact N-O 3.27Å; F75-Q126 PolarHBondContact O-N 3.11Å; F75-F128 AromaticContact CD2-CD2 3.72Å; F75-F128 HydrophobicContact CD2-CD2 3.72Å; F75-F128 AromaticContact CD2-CE2 3.98Å; F75-F128 HydrophobicContact CD2-CE2 3.98Å; F75-F128 AromaticContact CE2-CD2 3.43Å; F75-F128 HydrophobicContact CE2-CD2 3.43Å; F75-F128 VanDerWaalsContact CE2-CD2 3.43Å; F75-F128 AromaticContact CE2-CE2 3.72Å; F75-F128 HydrophobicContact CE2-CE2 3.72Å; F75-F128 HydrophobicContact CZ-CD2 4.26Å; F75-F128 HydrophobicContact CZ-CE2 4.18Å |
| 76 | V | 94.5 | Very high | 86.6 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.4 | 171.1 | 67.5 | 0 | 0 | 0 | 0 | 109 | F56 Y92 T93 L95 A120 Y124 | F56-V76 HydrophobicContact CD2-CG2 4.17Å; F56-V76 HydrophobicContact CE2-CG2 3.58Å; V76-Y92 CarbonylContact O-C 3.57Å; V76-Y92 VanDerWaalsContact O-CA 3.32Å; V76-Y92 WeakPolarHBondContact O-CA 3.35Å; V76-T93 PolarHBondContact N-O 2.83Å; V76-T93 PolarHBondContact O-N 2.83Å; V76-L95 HydrophobicContact CB-CD1 4.13Å; V76-L95 HydrophobicContact CB-CD2 4.3Å; V76-L95 HydrophobicContact CB-CG 4.29Å; V76-L95 HydrophobicContact CG1-CD2 3.78Å; V76-L95 HydrophobicContact CG1-CG 4.2Å; V76-A120 HydrophobicContact CG1-CB 4.21Å; V76-Y124 CarbonylContact C-O 3.57Å; V76-Y124 WeakPolarHBondContact CA-O 3.25Å |
| 77 | G | 92.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R91 S123 Y124 | G77-R91 WeakPolarHBondContact CA-O 3.48Å; G77-S123 PolarHBondContact O-N 2.88Å; G77-Y124 PolarHBondContact N-O 2.96Å; G77-Y124 PolarHBondContact O-N 3.36Å |
| 78 | D | 89.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144.7 | 170.8 | -151.8 | 15.4 | 0 | 0 | 0 | 110.5 | K53 A90 R91 S123 | K53-D78 WeakPolarHBondContact CD-OD2 3.47Å; K53-D78 WeakPolarHBondContact CE-OD2 3.36Å; K53-D78 IonicContact NZ-OD2 2.62Å; K53-D78 PolarHBondContact NZ-OD2 3.34Å; D78-A90 CarbonylContact O-C 3.54Å; D78-A90 WeakPolarHBondContact O-CA 3.31Å; D78-R91 PolarHBondContact N-O 3.34Å; D78-R91 PolarHBondContact O-N 3.43Å; D78-S123 PolarHBondContact OD1-OG 3.25Å |
| 79 | T | 84.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -88.5 | 130 | 177.3 | 34.4 | 0 | 0 | 0 | 0 | 109.7 | N89 A90 Y124 | T79-N89 HydrophobicContact CG2-CB 4.32Å; T79-A90 HydrophobicContact CG2-CB 4.06Å; T79-Y124 HydrophobicContact CG2-CE2 3.9Å | ||
| 80 | P | 76.8 | Confident | 85 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | trans | -59.9 | 147.3 | 172.2 | -15.9 | 28.1 | 0 | 0 | 0 | 111 | D82 E83 | P80-D82 PolarHBondContact O-N 3.26Å; P80-E83 PolarHBondContact O-N 3.44Å; P80-E83 VanDerWaalsContact O-N 3.1Å | ||
| 81 | D | 69 | Low | 84.7 | Confident | 171 Ų | 171 | 70.3 Ų | 70.3 | 91% | 0.914 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.8 | -175.3 | -62.9 | -41.5 | 0 | 0 | 0 | 114.3 | ||
| 82 | D | 66.1 | Low | 84.6 | Confident | 166 Ų | 166 | 70.9 Ų | 70.9 | 89% | 0.888 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.2 | -177.7 | -71.6 | -37.1 | 0 | 0 | 0 | 114.5 | P80 | P80-D82 PolarHBondContact O-N 3.26Š|
| 83 | E | 69.6 | Low | 84.5 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -115.2 | 151.5 | -174.6 | -67.2 | -174.9 | -178.3 | 0 | 0 | 112.5 | P80 E85 N89 | P80-E83 PolarHBondContact O-N 3.44Å; P80-E83 VanDerWaalsContact O-N 3.1Å; E83-E85 PolarHBondContact O-N 3.12Å; E83-N89 HydrophobicContact CB-CB 4.43Å; E83-N89 WeakPolarHBondContact OE2-CB 3.41Å |
| 84 | M | 72.6 | Confident | 84.4 | Confident | 147 Ų | 147 | 80.4 Ų | 80.4 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | trans | -61.1 | 128.6 | 177 | -174 | 167.2 | 68.5 | 0 | 0 | 110.3 | H86 N89 | M84-H86 VanDerWaalsContact C-N 3.34Å; M84-H86 PolarHBondContact O-N 2.82Å; M84-N89 PolarHBondContact O-ND2 3.28Å | ||
| 85 | E | 69 | Low | 84.2 | Confident | 160 Ų | 160 | 83.1 Ų | 83.1 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -58.1 | 92 | 178 | -73.5 | -176.7 | 173.3 | 0 | 0 | 110.9 | E83 | E83-E85 PolarHBondContact O-N 3.12Š|
| 86 | H | 82.2 | Confident | 84 | Confident | 70 Ų | 70 | 82.7 Ų | 82.7 | 32% | 0.324 | 41% | 0.405 | S | S | . | . | trans | -149.1 | 139.6 | -179.9 | -160.1 | 55.6 | 0 | 0 | 0 | 109.8 | M84 K88 N89 A90 Y124 | M84-H86 VanDerWaalsContact C-N 3.34Å; M84-H86 PolarHBondContact O-N 2.82Å; H86-K88 PolarHBondContact O-N 3.16Å; H86-N89 PolarHBondContact O-N 3.34Å; H86-A90 PolarHBondContact O-N 2.95Å; H86-Y124 PolarHBondContact N-OH 2.73Å | ||
| 87 | F | 83.9 | Confident | 84 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 13% | 0.132 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.6 | -176.9 | 70.1 | -94.2 | 0 | 0 | 0 | 114.3 | V10 Y11 I47 Y92 Y124 | V10-F87 HydrophobicContact CB-CD1 4.35Å; V10-F87 HydrophobicContact CG2-CB 4.14Å; V10-F87 HydrophobicContact CG2-CD1 4.08Å; V10-F87 HydrophobicContact CG2-CG 4.22Å; Y11-F87 HydrophobicContact CD2-CE2 4.09Å; Y11-F87 HydrophobicContact CD2-CZ 4.18Å; Y11-F87 HydrophobicContact CG-CE2 4.16Å; Y11-F87 HydrophobicContact CG-CZ 4.49Å; I47-F87 HydrophobicContact CD1-CB 4.39Å; I47-F87 HydrophobicContact CD1-CD2 3.53Å; I47-F87 HydrophobicContact CD1-CE2 4.14Å; I47-F87 HydrophobicContact CD1-CG 4.25Å; I47-F87 HydrophobicContact CG2-CB 4.16Å; F87-Y92 WeakPolarHBondContact O-CE2 3.29Å; F87-Y92 PolarHBondContact O-OH 2.65Å; F87-Y124 HydrophobicContact CB-CD1 3.96Å; F87-Y124 HydrophobicContact CB-CE1 3.83Å |
| 88 | K | 86 | Confident | 84.1 | Confident | 153 Ų | 153 | 89.9 Ų | 89.9 | 67% | 0.665 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.5 | 177.1 | -61.3 | -176.7 | -178.1 | 176 | 0 | 113.1 | H86 | H86-K88 PolarHBondContact O-N 3.16Š|
| 89 | N | 86.3 | Confident | 84.2 | Confident | 59 Ų | 59 | 90.7 Ų | 90.7 | 32% | 0.316 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -11.8 | -178.5 | -62.3 | -6.7 | 0 | 0 | 0 | 111.6 | T79 E83 M84 H86 | T79-N89 HydrophobicContact CG2-CB 4.32Å; E83-N89 HydrophobicContact CB-CB 4.43Å; E83-N89 WeakPolarHBondContact OE2-CB 3.41Å; M84-N89 PolarHBondContact O-ND2 3.28Å; H86-N89 PolarHBondContact O-N 3.34Å |
| 90 | A | 87.4 | Confident | 84.5 | Confident | 10 Ų | 10 | 90.5 Ų | 90.5 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | trans | -65.1 | 136.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D78 T79 H86 Y92 Y124 | D78-A90 CarbonylContact O-C 3.54Å; D78-A90 WeakPolarHBondContact O-CA 3.31Å; T79-A90 HydrophobicContact CG2-CB 4.06Å; H86-A90 PolarHBondContact O-N 2.95Å; A90-Y92 HydrophobicContact CB-CD2 4.49Å; A90-Y92 HydrophobicContact CB-CE1 4.49Å; A90-Y92 HydrophobicContact CB-CE2 3.83Å; A90-Y92 VanDerWaalsContact O-CD2 3.22Å; A90-Y92 WeakPolarHBondContact O-CD2 3.5Å; A90-Y92 VanDerWaalsContact O-CE2 3.31Å; A90-Y92 WeakPolarHBondContact O-CE2 3.4Å; A90-Y124 HydrophobicContact CB-CD2 3.69Å; A90-Y124 HydrophobicContact CB-CE2 4.06Å; A90-Y124 HydrophobicContact CB-CG 4.33Å | ||
| 91 | R | 89.4 | Confident | 85.1 | Confident | 192 Ų | 192 | 91.2 Ų | 91.2 | 73% | 0.725 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114 | 171.1 | -73.3 | -176.4 | 170.7 | -177.3 | -1 | 109.7 | G77 D78 | G77-R91 WeakPolarHBondContact CA-O 3.48Å; D78-R91 PolarHBondContact N-O 3.34Å; D78-R91 PolarHBondContact O-N 3.43Å |
| 92 | Y | 92.9 | Very high | 86.1 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 24% | 0.239 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 132.2 | -176.7 | -65.4 | -86.3 | 0 | 0 | 0 | 112.7 | F75 V76 F87 A90 Q126 | F75-Y92 HydrophobicContact CB-CD1 4.3Å; V76-Y92 CarbonylContact O-C 3.57Å; V76-Y92 VanDerWaalsContact O-CA 3.32Å; V76-Y92 WeakPolarHBondContact O-CA 3.35Å; F87-Y92 WeakPolarHBondContact O-CE2 3.29Å; F87-Y92 PolarHBondContact O-OH 2.65Å; A90-Y92 HydrophobicContact CB-CD2 4.49Å; A90-Y92 HydrophobicContact CB-CE1 4.49Å; A90-Y92 HydrophobicContact CB-CE2 3.83Å; A90-Y92 VanDerWaalsContact O-CD2 3.22Å; A90-Y92 WeakPolarHBondContact O-CD2 3.5Å; A90-Y92 VanDerWaalsContact O-CE2 3.31Å; A90-Y92 WeakPolarHBondContact O-CE2 3.4Å; Y92-Q126 HydrophobicContact CD1-CB 3.8Å; Y92-Q126 VanDerWaalsContact CD1-OE1 3.32Å; Y92-Q126 HydrophobicContact CE1-CB 3.62Å; Y92-Q126 VanDerWaalsContact CE1-OE1 3.31Å |
| 93 | T | 93.2 | Very high | 87.1 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | 173.9 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | F75 V76 L95 | F75-T93 CarbonylContact C-O 3.59Å; F75-T93 VanDerWaalsContact CA-O 3.22Å; F75-T93 WeakPolarHBondContact CA-O 3.33Å; V76-T93 PolarHBondContact N-O 2.83Å; V76-T93 PolarHBondContact O-N 2.83Å; T93-L95 PolarHBondContact O-N 3.01Å |
| 94 | R | 94.2 | Very high | 88 | Confident | 136 Ų | 136 | 78.5 Ų | 78.5 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121.9 | 179.4 | -171.1 | -179 | -177.8 | -157 | 7.2 | 110.4 | E73 F75 | E73-R94 IonicContact OE1-CZ 3.39Å; E73-R94 IonicContact OE1-NH2 2.91Å; E73-R94 PolarHBondContact OE1-NH2 3.47Å; F75-R94 HydrophobicContact CD1-CB 3.81Å; F75-R94 HydrophobicContact CD1-CG 4.28Å; F75-R94 HydrophobicContact CE1-CB 3.52Å; F75-R94 HydrophobicContact CE1-CG 3.78Å; F75-R94 HydrophobicContact CE2-CG 4.28Å; F75-R94 HydrophobicContact CZ-CB 4.06Å; F75-R94 HydrophobicContact CZ-CG 3.77Å |
| 95 | L | 91.9 | Very high | 88.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -38.7 | 176.5 | -61.8 | 176.8 | 0 | 0 | 0 | 111.9 | F74 V76 T93 I118 A120 | F74-L95 HydrophobicContact CB-CB 4.14Å; F74-L95 HydrophobicContact CB-CD1 4.32Å; F74-L95 PolarHBondContact O-N 3.37Å; V76-L95 HydrophobicContact CB-CD1 4.13Å; V76-L95 HydrophobicContact CB-CD2 4.3Å; V76-L95 HydrophobicContact CB-CG 4.29Å; V76-L95 HydrophobicContact CG1-CD2 3.78Å; V76-L95 HydrophobicContact CG1-CG 4.2Å; T93-L95 PolarHBondContact O-N 3.01Å; L95-I118 HydrophobicContact CD1-CD1 3.96Å; L95-I118 HydrophobicContact CD1-CG1 4.32Å; L95-I118 HydrophobicContact CD1-CG2 3.69Å; L95-I118 HydrophobicContact CD2-CG2 4.29Å; L95-A120 HydrophobicContact CD2-CB 3.57Å |
| 96 | G | 92.5 | Very high | 89.4 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -159.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E73 F74 | E73-G96 WeakPolarHBondContact CA-O 3.31Å; F74-G96 PolarHBondContact N-O 3.43Å |
| 97 | Y | 94.2 | Very high | 89.6 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 55% | 0.549 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.9 | 177.3 | 72.3 | -92.9 | 0 | 0 | 0 | 112 | K71 I72 | K71-Y97 HydrophobicContact CD-CD2 4.06Å; K71-Y97 HydrophobicContact CD-CG 4.3Å; K71-Y97 HydrophobicContact CG-CD2 3.87Å; K71-Y97 HydrophobicContact CG-CG 4.32Å; I72-Y97 CarbonylContact O-C 3.51Å; I72-Y97 WeakPolarHBondContact O-CA 3.45Å; I72-Y97 WeakPolarHBondContact O-CB 3.27Å |
| 98 | V | 93.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.5 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | K71 I72 F74 K114 V116 | K71-V98 CarbonylContact C-O 3.51Å; K71-V98 WeakPolarHBondContact CA-O 3.41Å; I72-V98 PolarHBondContact N-O 2.86Å; I72-V98 PolarHBondContact O-N 3.5Å; F74-V98 HydrophobicContact CE2-CB 3.97Å; F74-V98 HydrophobicContact CE2-CG2 3.65Å; F74-V98 HydrophobicContact CZ-CG2 4.32Å; V98-K114 HydrophobicContact CG1-CD 3.85Å; V98-K114 VanDerWaalsContact CG1-CE 3.4Å; V98-K114 HydrophobicContact CG1-CG 3.69Å; V98-V116 HydrophobicContact CG2-CG1 4.42Å; V98-V116 HydrophobicContact CG2-CG2 3.73Å |
| 99 | A | 92.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K114 | A99-K114 PolarHBondContact O-NZ 2.95Å |
| 100 | L | 91.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | trans | -104.9 | 153.1 | 176.6 | -58.5 | 173.6 | 0 | 0 | 0 | 109.7 | C63 I68 A69 S70 I72 K114 H133 | C63-L100 HydrophobicContact CB-CD1 4.3Å; C63-L100 WeakPolarHBondContact SG-CD1 3.31Å; I68-L100 HydrophobicContact CG2-CB 3.63Å; I68-L100 HydrophobicContact CG2-CD1 3.86Å; I68-L100 HydrophobicContact CG2-CG 4.4Å; A69-L100 WeakPolarHBondContact O-CB 3.13Å; A69-L100 WeakPolarHBondContact O-CD1 3.39Å; S70-L100 PolarHBondContact O-N 2.59Å; I72-L100 HydrophobicContact CD1-CD1 3.69Å; I72-L100 HydrophobicContact CG1-CD1 4.06Å; L100-K114 HydrophobicContact CD2-CB 4.27Å; L100-K114 HydrophobicContact CD2-CD 4.19Å; L100-K114 HydrophobicContact CD2-CG 4.32Å; L100-H133 PolarHBondContact O-NE2 3.48Å | ||
| 101 | S | 89.3 | Confident | 89.8 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | trans | -74 | 154.3 | 175 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | I68 N103 E112 H133 | I68-S101 WeakPolarHBondContact CG2-O 3.44Å; S101-N103 PolarHBondContact O-N 3.13Å; S101-E112 PolarHBondContact N-OE2 3.11Å; S101-E112 PolarHBondContact OG-OE2 3.49Å; S101-H133 PolarHBondContact O-CD2 3.01Å | ||
| 102 | D | 88.8 | Confident | 89.8 | Confident | 69 Ų | 69 | 69 Ų | 69 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | trans | -72 | -12 | 172.8 | 55.8 | 19.5 | 0 | 0 | 0 | 112.9 | Q104 Y108 H133 | D102-Q104 PolarHBondContact O-N 2.73Å; D102-Q104 PolarHBondContact OD1-N 2.92Å; D102-Y108 WeakPolarHBondContact O-CD1 3.31Å; D102-Y108 VanDerWaalsContact O-CE1 3.29Å; D102-Y108 WeakPolarHBondContact O-CE1 3.33Å; D102-H133 HydrophobicContact CB-CB 4Å | ||
| 103 | N | 88.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | trans | 59.1 | 22 | -178.4 | -162.9 | 38.9 | 0 | 0 | 0 | 114.6 | Q65 I68 S101 A105 T106 Y108 A110 | Q65-N103 PolarHBondContact O-ND2 2.78Å; I68-N103 HydrophobicContact CD1-CB 3.37Å; S101-N103 PolarHBondContact O-N 3.13Å; N103-A105 PolarHBondContact O-N 2.74Å; N103-T106 PolarHBondContact ND2-OG1 2.73Å; N103-T106 PolarHBondContact O-N 2.92Å; N103-T106 PolarHBondContact O-OG1 3.45Å; N103-T106 PolarHBondContact OD1-OG1 3.05Å; N103-Y108 PolarHBondContact O-N 3.09Å; N103-A110 PolarHBondContact ND2-O 3.07Å | ||
| 104 | Q | 87.7 | Confident | 89.7 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64.3 | -31.1 | 177.9 | -171.9 | 172.8 | 6.2 | 0 | 0 | 111.9 | D102 T106 E107 Y108 Y435 | D102-Q104 PolarHBondContact O-N 2.73Å; D102-Q104 PolarHBondContact OD1-N 2.92Å; Q104-T106 PolarHBondContact O-N 3.33Å; Q104-T106 VanDerWaalsContact O-N 3.15Å; Q104-E107 PolarHBondContact O-N 3.35Å; Q104-Y108 HydrophobicContact CB-CE1 4.23Å; Q104-Y435 PolarHBondContact NE2-OH 3.39Å |
| 105 | A | 85.7 | Confident | 89.6 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 87% | 0.868 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -62.5 | -18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N103 | N103-A105 PolarHBondContact O-N 2.74Š|
| 106 | T | 85.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -109.2 | 16.1 | 177.1 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | N103 Q104 Y108 K109 A110 | N103-T106 PolarHBondContact ND2-OG1 2.73Å; N103-T106 PolarHBondContact O-N 2.92Å; N103-T106 PolarHBondContact O-OG1 3.45Å; N103-T106 PolarHBondContact OD1-OG1 3.05Å; Q104-T106 PolarHBondContact O-N 3.33Å; Q104-T106 VanDerWaalsContact O-N 3.15Å; T106-Y108 PolarHBondContact O-N 2.97Å; T106-Y108 VanDerWaalsContact O-N 3.13Å; T106-K109 VanDerWaalsContact O-CB 3.28Å; T106-K109 WeakPolarHBondContact O-CB 3.29Å; T106-K109 WeakPolarHBondContact O-CG 3.47Å; T106-K109 PolarHBondContact O-N 3.33Å; T106-K109 PolarHBondContact OG1-N 2.9Å; T106-A110 HydrophobicContact CG2-CB 3.85Å; T106-A110 PolarHBondContact OG1-N 2.85Å |
| 107 | E | 86.4 | Confident | 89.5 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.6 | -170.3 | -56.7 | 179 | 161.1 | 0 | 0 | 112 | Q104 K109 Q431 | Q104-E107 PolarHBondContact O-N 3.35Å; E107-K109 HydrophobicContact CB-CD 4.35Å; E107-K109 HydrophobicContact CB-CG 4.47Å; E107-K109 PolarHBondContact O-N 3.08Å; E107-K109 WeakPolarHBondContact OE2-CE 3.43Å; E107-K109 IonicContact OE2-NZ 3.13Å; E107-K109 PolarHBondContact OE2-NZ 2.91Å; E107-Q431 PolarHBondContact OE1-NE2 3.47Å; E107-Q431 PolarHBondContact OE1-OE1 3.15Å |
| 108 | Y | 87.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 26.5 | -176.1 | -39.5 | -78 | 0 | 0 | 0 | 115.5 | Q65 D102 N103 Q104 T106 N135 L137 | Q65-Y108 VanDerWaalsContact CB-O 3.3Å; Q65-Y108 WeakPolarHBondContact CB-O 3.37Å; Q65-Y108 WeakPolarHBondContact CG-O 3.4Å; D102-Y108 WeakPolarHBondContact O-CD1 3.31Å; D102-Y108 VanDerWaalsContact O-CE1 3.29Å; D102-Y108 WeakPolarHBondContact O-CE1 3.33Å; N103-Y108 PolarHBondContact O-N 3.09Å; Q104-Y108 HydrophobicContact CB-CE1 4.23Å; T106-Y108 PolarHBondContact O-N 2.97Å; T106-Y108 VanDerWaalsContact O-N 3.13Å; Y108-N135 HydrophobicContact CD1-CB 4.32Å; Y108-N135 HydrophobicContact CE1-CB 3.58Å; Y108-N135 HydrophobicContact CE2-CB 4.06Å; Y108-N135 VanDerWaalsContact CZ-CB 3.43Å; Y108-N135 WeakPolarHBondContact OH-CB 3.35Å; Y108-L137 HydrophobicContact CD2-CD1 3.94Å; Y108-L137 HydrophobicContact CG-CD1 4.17Å |
| 109 | K | 84.9 | Confident | 88.9 | Confident | 156 Ų | 156 | 69 Ų | 69 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | trans | -89.7 | -30.4 | 179.9 | -66.5 | 170.5 | 174.1 | 163.9 | 0 | 113 | T106 E107 | T106-K109 VanDerWaalsContact O-CB 3.28Å; T106-K109 WeakPolarHBondContact O-CB 3.29Å; T106-K109 WeakPolarHBondContact O-CG 3.47Å; T106-K109 PolarHBondContact O-N 3.33Å; T106-K109 PolarHBondContact OG1-N 2.9Å; E107-K109 HydrophobicContact CB-CD 4.35Å; E107-K109 HydrophobicContact CB-CG 4.47Å; E107-K109 PolarHBondContact O-N 3.08Å; E107-K109 WeakPolarHBondContact OE2-CE 3.43Å; E107-K109 IonicContact OE2-NZ 3.13Å; E107-K109 PolarHBondContact OE2-NZ 2.91Å | ||
| 110 | A | 86.1 | Confident | 88.7 | Confident | 41 Ų | 41 | 67 Ų | 67 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.2 | 149.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q65 N103 T106 | Q65-A110 WeakPolarHBondContact CA-O 3.35Å; Q65-A110 WeakPolarHBondContact CB-O 3.39Å; N103-A110 PolarHBondContact ND2-O 3.07Å; T106-A110 HydrophobicContact CG2-CB 3.85Å; T106-A110 PolarHBondContact OG1-N 2.85Å |
| 111 | R | 89.2 | Confident | 88.8 | Confident | 109 Ų | 109 | 69.3 Ų | 69.3 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 141.9 | 169 | -67.8 | 175.1 | 179.3 | 168.9 | -1.4 | 110 | L62 C63 Q65 | L62-R111 HydrophobicContact CD1-CB 3.79Å; L62-R111 HydrophobicContact CG-CB 4.37Å; C63-R111 WeakPolarHBondContact O-CB 3.35Å; Q65-R111 HydrophobicContact CB-CG 4.08Å |
| 112 | E | 89 | Confident | 88.9 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 120.2 | 176.2 | -173.1 | 178 | 162.9 | 0 | 0 | 110.3 | C63 S101 K114 | C63-E112 PolarHBondContact N-O 3.4Å; S101-E112 PolarHBondContact N-OE2 3.11Å; S101-E112 PolarHBondContact OG-OE2 3.49Å; E112-K114 WeakPolarHBondContact OE1-CD 3.25Å; E112-K114 IonicContact OE1-NZ 2.67Å; E112-K114 PolarHBondContact OE1-NZ 3.3Å |
| 113 | L | 92 | Very high | 89.1 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.5 | 169.2 | 179.1 | 64.8 | 0 | 0 | 0 | 110 | Q60 L61 L62 L182 | Q60-L113 HydrophobicContact CB-CD1 4.26Å; L61-L113 CarbonylContact O-C 3.54Å; L61-L113 WeakPolarHBondContact O-CA 3.49Å; L62-L113 HydrophobicContact CB-CD1 4.35Å; L62-L113 HydrophobicContact CD1-CB 4.15Å; L62-L113 HydrophobicContact CD1-CD1 4.48Å; L113-L182 HydrophobicContact CD1-CD2 3.86Å |
| 114 | K | 92.2 | Very high | 89.4 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.9 | 177.5 | -156.8 | 80.2 | -174.2 | -158.4 | 0 | 111.3 | Q60 L61 V98 A99 L100 E112 | Q60-K114 CarbonylContact C-O 3.59Å; Q60-K114 VanDerWaalsContact CA-O 3.31Å; Q60-K114 WeakPolarHBondContact CA-O 3.18Å; L61-K114 HydrophobicContact CB-CB 4.48Å; L61-K114 PolarHBondContact N-O 3.18Å; L61-K114 PolarHBondContact O-N 2.81Å; V98-K114 HydrophobicContact CG1-CD 3.85Å; V98-K114 VanDerWaalsContact CG1-CE 3.4Å; V98-K114 HydrophobicContact CG1-CG 3.69Å; A99-K114 PolarHBondContact O-NZ 2.95Å; L100-K114 HydrophobicContact CD2-CB 4.27Å; L100-K114 HydrophobicContact CD2-CD 4.19Å; L100-K114 HydrophobicContact CD2-CG 4.32Å; E112-K114 WeakPolarHBondContact OE1-CD 3.25Å; E112-K114 IonicContact OE1-NZ 2.67Å; E112-K114 PolarHBondContact OE1-NZ 3.3Å |
| 115 | S | 92.4 | Very high | 89.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.2 | 173.2 | -69.9 | 0 | 0 | 0 | 0 | 110.8 | K58 I59 | K58-S115 VanDerWaalsContact CE-CB 3.43Å; K58-S115 VanDerWaalsContact CE-OG 3.3Å; K58-S115 WeakPolarHBondContact CE-OG 3.4Å; I59-S115 CarbonylContact O-C 3.58Å; I59-S115 WeakPolarHBondContact O-CA 3.41Å |
| 116 | V | 91.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | -179.4 | -168.9 | 0 | 0 | 0 | 0 | 108.5 | K58 I59 F74 V98 I118 | K58-V116 CarbonylContact C-O 3.49Å; K58-V116 VanDerWaalsContact CA-O 3.3Å; K58-V116 WeakPolarHBondContact CA-O 3.17Å; I59-V116 PolarHBondContact N-O 2.67Å; I59-V116 PolarHBondContact O-N 3.19Å; F74-V116 HydrophobicContact CE2-CG2 4.39Å; F74-V116 HydrophobicContact CZ-CG2 4.01Å; V98-V116 HydrophobicContact CG2-CG1 4.42Å; V98-V116 HydrophobicContact CG2-CG2 3.73Å; V116-I118 HydrophobicContact CB-CD1 4.45Å; V116-I118 HydrophobicContact CG1-CD1 4.07Å; V116-I118 HydrophobicContact CG1-CG1 3.99Å |
| 117 | H | 89.9 | Confident | 90.7 | Very high | 145 Ų | 145 | 53.5 Ų | 53.5 | 67% | 0.671 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.6 | 173.8 | -60.9 | 86.3 | 0 | 0 | 0 | 108.7 | R57 | R57-H117 WeakPolarHBondContact O-CA 3.21Å |
| 118 | I | 87.9 | Confident | 91.2 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.5 | -174.6 | -69.9 | 160.9 | 0 | 0 | 0 | 106.9 | F56 R57 I59 L95 V116 A120 | F56-I118 CarbonylContact C-O 3.49Å; F56-I118 HydrophobicContact CB-CG2 4.24Å; R57-I118 CarbonylContact C-O 3.59Å; R57-I118 WeakPolarHBondContact CA-O 3.37Å; R57-I118 PolarHBondContact O-N 3.38Å; I59-I118 HydrophobicContact CB-CD1 4.24Å; I59-I118 HydrophobicContact CD1-CD1 3.21Å; I59-I118 HydrophobicContact CG1-CD1 3.64Å; L95-I118 HydrophobicContact CD1-CD1 3.96Å; L95-I118 HydrophobicContact CD1-CG1 4.32Å; L95-I118 HydrophobicContact CD1-CG2 3.69Å; L95-I118 HydrophobicContact CD2-CG2 4.29Å; V116-I118 HydrophobicContact CB-CD1 4.45Å; V116-I118 HydrophobicContact CG1-CD1 4.07Å; V116-I118 HydrophobicContact CG1-CG1 3.99Å; I118-A120 HydrophobicContact CG2-CB 3.66Å |
| 119 | D | 87.4 | Confident | 91.7 | Very high | 157 Ų | 157 | 49.7 Ų | 49.7 | 84% | 0.84 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 84.2 | 171.2 | -175 | 15.4 | 0 | 0 | 0 | 107.5 | ||
| 120 | A | 90.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F56 V76 L95 I118 | F56-A120 VanDerWaalsContact CD2-O 3.25Å; F56-A120 WeakPolarHBondContact CD2-O 3.41Å; F56-A120 PolarHBondContact N-O 2.87Å; V76-A120 HydrophobicContact CG1-CB 4.21Å; L95-A120 HydrophobicContact CD2-CB 3.57Å; I118-A120 HydrophobicContact CG2-CB 3.66Å |
| 121 | S | 91.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.4 | 177 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | A54 | A54-S121 CarbonylContact O-C 3.58Å; A54-S121 VanDerWaalsContact O-CA 3.24Å; A54-S121 WeakPolarHBondContact O-CA 3.43Å |
| 122 | G | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A54 | A54-G122 PolarHBondContact N-O 3.43Å; A54-G122 PolarHBondContact O-N 3.08Å |
| 123 | S | 92.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -14.2 | -176.9 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | L50 G77 D78 | L50-S123 WeakPolarHBondContact CD1-O 3.43Å; L50-S123 PolarHBondContact N-O 2.93Å; G77-S123 PolarHBondContact O-N 2.88Å; D78-S123 PolarHBondContact OD1-OG 3.25Å |
| 124 | Y | 94.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.7 | -179.8 | -57.9 | -86.4 | 0 | 0 | 0 | 111.4 | I47 L48 S49 V76 G77 T79 H86 F87 A90 | I47-Y124 HydrophobicContact CG2-CD1 4.34Å; L48-Y124 CarbonylContact O-C 3.53Å; L48-Y124 VanDerWaalsContact O-CA 3.31Å; L48-Y124 WeakPolarHBondContact O-CA 3.35Å; S49-Y124 WeakPolarHBondContact OG-CE1 3.48Å; V76-Y124 CarbonylContact C-O 3.57Å; V76-Y124 WeakPolarHBondContact CA-O 3.25Å; G77-Y124 PolarHBondContact N-O 2.96Å; G77-Y124 PolarHBondContact O-N 3.36Å; T79-Y124 HydrophobicContact CG2-CE2 3.9Å; H86-Y124 PolarHBondContact N-OH 2.73Å; F87-Y124 HydrophobicContact CB-CD1 3.96Å; F87-Y124 HydrophobicContact CB-CE1 3.83Å; A90-Y124 HydrophobicContact CB-CD2 3.69Å; A90-Y124 HydrophobicContact CB-CE2 4.06Å; A90-Y124 HydrophobicContact CB-CG 4.33Å |
| 125 | I | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.4 | 165.8 | -68.6 | -163.7 | 0 | 0 | 0 | 109 | I47 L48 F56 I59 F75 L127 L150 | I47-I125 CarbonylContact C-O 3.56Å; I47-I125 WeakPolarHBondContact CA-O 3.46Å; L48-I125 HydrophobicContact CB-CB 4.35Å; L48-I125 HydrophobicContact CD1-CB 4.5Å; L48-I125 HydrophobicContact CD1-CG2 4.39Å; L48-I125 PolarHBondContact N-O 3.45Å; L48-I125 PolarHBondContact O-N 2.65Å; F56-I125 HydrophobicContact CD1-CD1 3.77Å; F56-I125 HydrophobicContact CD2-CD1 4.38Å; F56-I125 HydrophobicContact CE1-CD1 3.46Å; F56-I125 VanDerWaalsContact CE1-CD1 3.46Å; F56-I125 HydrophobicContact CE1-CG1 3.89Å; F56-I125 HydrophobicContact CE2-CD1 4.14Å; F56-I125 HydrophobicContact CE2-CG1 4.12Å; F56-I125 HydrophobicContact CG-CD1 4.22Å; F56-I125 HydrophobicContact CZ-CD1 3.66Å; F56-I125 HydrophobicContact CZ-CG1 3.6Å; I59-I125 HydrophobicContact CD1-CD1 3.5Å; I59-I125 VanDerWaalsContact CD1-CD1 3.5Å; I59-I125 HydrophobicContact CG1-CD1 4.37Å; F75-I125 WeakPolarHBondContact O-CA 3.48Å; I125-L127 HydrophobicContact CG2-CD2 3.86Å; I125-L127 HydrophobicContact CG2-CG 4.26Å; I125-L150 HydrophobicContact CD1-CD1 4.1Å; I125-L150 HydrophobicContact CD1-CD2 3.81Å |
| 126 | Q | 95.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.5 | 175.9 | 172.8 | 179.7 | -14.1 | 0 | 0 | 110.1 | K45 L46 I47 F75 Y92 F128 | K45-Q126 VanDerWaalsContact CE-CD 3.47Å; K45-Q126 HydrophobicContact CG-CG 4.33Å; L46-Q126 WeakPolarHBondContact O-CA 3.33Å; I47-Q126 HydrophobicContact CG1-CB 4.24Å; I47-Q126 HydrophobicContact CG1-CG 4.13Å; F75-Q126 HydrophobicContact CB-CB 4.05Å; F75-Q126 PolarHBondContact N-O 3.27Å; F75-Q126 PolarHBondContact O-N 3.11Å; Y92-Q126 HydrophobicContact CD1-CB 3.8Å; Y92-Q126 VanDerWaalsContact CD1-OE1 3.32Å; Y92-Q126 HydrophobicContact CE1-CB 3.62Å; Y92-Q126 VanDerWaalsContact CE1-OE1 3.31Å; Q126-F128 HydrophobicContact CG-CD2 4.4Å; Q126-F128 HydrophobicContact CG-CE2 4.15Å |
| 127 | L | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.9 | 179.5 | -53.4 | 177.9 | 0 | 0 | 0 | 109.6 | K45 L46 L61 I72 E73 F74 I125 L129 I148 | K45-L127 WeakPolarHBondContact CA-O 3.41Å; L46-L127 HydrophobicContact CB-CB 4.33Å; L46-L127 PolarHBondContact N-O 3.25Å; L46-L127 PolarHBondContact O-N 2.97Å; L61-L127 HydrophobicContact CD2-CD1 4.4Å; I72-L127 HydrophobicContact CG2-CB 4.47Å; E73-L127 WeakPolarHBondContact O-CA 3.48Å; F74-L127 HydrophobicContact CD1-CD2 3.29Å; F74-L127 HydrophobicContact CE1-CD2 3.61Å; F74-L127 HydrophobicContact CG-CD2 4.18Å; I125-L127 HydrophobicContact CG2-CD2 3.86Å; I125-L127 HydrophobicContact CG2-CG 4.26Å; L127-L129 HydrophobicContact CB-CD1 4.42Å; L127-I148 HydrophobicContact CD1-CD1 3.88Å |
| 128 | F | 97 | Very high | 92.6 | Very high | 44 Ų | 44 | 46.1 Ų | 46.1 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.2 | 169.2 | -75.8 | -82.3 | 0 | 0 | 0 | 110.7 | P43 Q44 K45 I72 E73 F75 Q126 | P43-F128 HydrophobicContact CB-CB 4.3Å; P43-F128 HydrophobicContact CB-CD1 4.07Å; P43-F128 HydrophobicContact CG-CD1 3.82Å; P43-F128 HydrophobicContact CG-CE1 4.37Å; Q44-F128 CarbonylContact O-C 3.59Å; Q44-F128 WeakPolarHBondContact O-CA 3.49Å; K45-F128 HydrophobicContact CB-CD1 4.13Å; K45-F128 HydrophobicContact CB-CE1 4.03Å; K45-F128 HydrophobicContact CD-CE1 4.05Å; K45-F128 HydrophobicContact CD-CZ 4.18Å; K45-F128 HydrophobicContact CG-CE1 4.2Å; I72-F128 CarbonylContact C-O 3.49Å; I72-F128 VanDerWaalsContact CA-O 3.3Å; I72-F128 WeakPolarHBondContact CA-O 3.34Å; E73-F128 HydrophobicContact CB-CB 4.25Å; E73-F128 PolarHBondContact N-O 2.98Å; E73-F128 PolarHBondContact O-N 2.74Å; F75-F128 AromaticContact CD2-CD2 3.72Å; F75-F128 HydrophobicContact CD2-CD2 3.72Å; F75-F128 AromaticContact CD2-CE2 3.98Å; F75-F128 HydrophobicContact CD2-CE2 3.98Å; F75-F128 AromaticContact CE2-CD2 3.43Å; F75-F128 HydrophobicContact CE2-CD2 3.43Å; F75-F128 VanDerWaalsContact CE2-CD2 3.43Å; F75-F128 AromaticContact CE2-CE2 3.72Å; F75-F128 HydrophobicContact CE2-CE2 3.72Å; F75-F128 HydrophobicContact CZ-CD2 4.26Å; F75-F128 HydrophobicContact CZ-CE2 4.18Å; Q126-F128 HydrophobicContact CG-CD2 4.4Å; Q126-F128 HydrophobicContact CG-CE2 4.15Å |
| 129 | L | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.3 | 176.5 | -63 | 86.3 | 0 | 0 | 0 | 109.4 | W34 P43 Q44 L46 A69 I72 L127 V143 I145 | W34-L129 HydrophobicContact CH2-CD1 4.41Å; W34-L129 HydrophobicContact CH2-CD2 4.29Å; W34-L129 HydrophobicContact CZ3-CD1 4.29Å; W34-L129 HydrophobicContact CZ3-CD2 3.72Å; P43-L129 CarbonylContact C-O 3.59Å; P43-L129 WeakPolarHBondContact CA-O 3.39Å; P43-L129 WeakPolarHBondContact CB-O 3.19Å; Q44-L129 HydrophobicContact CB-CB 4.28Å; Q44-L129 PolarHBondContact N-O 2.96Å; Q44-L129 PolarHBondContact O-N 3.5Å; L46-L129 HydrophobicContact CD1-CD1 3.96Å; L46-L129 HydrophobicContact CG-CD1 4.46Å; A69-L129 HydrophobicContact CB-CB 4.06Å; A69-L129 HydrophobicContact CB-CD2 4.16Å; A69-L129 HydrophobicContact CB-CG 4.49Å; I72-L129 HydrophobicContact CD1-CD2 4.41Å; I72-L129 HydrophobicContact CD1-CG 4.38Å; I72-L129 HydrophobicContact CG1-CG 4.23Å; L127-L129 HydrophobicContact CB-CD1 4.42Å; L129-V143 HydrophobicContact CB-CG2 4.2Å; L129-V143 HydrophobicContact CD2-CB 4.28Å; L129-V143 HydrophobicContact CD2-CG2 4.07Å; L129-I145 HydrophobicContact CD1-CD1 4.34Å; L129-I145 HydrophobicContact CD2-CD1 3.84Å; L129-I145 HydrophobicContact CD2-CG1 3.97Å; L129-I145 HydrophobicContact CG-CD1 4.47Å |
| 130 | H | 96.6 | Very high | 92.9 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.218 | 25% | 0.25 | C | C | . | . | trans | -83.6 | -173.9 | 178.7 | -70.6 | -99.2 | 0 | 0 | 0 | 111.2 | Y42 K71 E73 | Y42-H130 VanDerWaalsContact CD1-C 3.42Å; Y42-H130 WeakPolarHBondContact CD1-O 3.44Å; Y42-H130 WeakPolarHBondContact CE1-O 3.31Å; K71-H130 HydrophobicContact CB-CB 4.05Å; K71-H130 WeakPolarHBondContact O-CB 3.46Å; K71-H130 PolarHBondContact O-CD2 2.76Å; K71-H130 PolarHBondContact O-N 3.42Å; E73-H130 WeakPolarHBondContact CG-NE2 3.33Å; E73-H130 IonicContact OE2-CE1 3.88Å; E73-H130 IonicContact OE2-NE2 3.71Å; E73-H130 PolarHBondContact OE2-NE2 3.29Å | ||
| 131 | K | 94.3 | Very high | 93.1 | Very high | 139 Ų | 139 | 49.2 Ų | 49.2 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | trans | -44.5 | 144 | -178.7 | 64.1 | 177 | -175.7 | 172.9 | 0 | 113.1 | Y42 S70 | Y42-K131 HydrophobicContact CD2-CB 4.1Å; Y42-K131 HydrophobicContact CE2-CB 4.34Å; Y42-K131 HydrophobicContact CG-CB 4.27Å; S70-K131 VanDerWaalsContact CB-O 3.22Å; S70-K131 WeakPolarHBondContact CB-O 3.43Å; S70-K131 PolarHBondContact N-O 3.05Å; S70-K131 WeakPolarHBondContact OG-CG 3.5Å; S70-K131 PolarHBondContact OG-O 3.37Å; S70-K131 VanDerWaalsContact OG-O 3.12Å | ||
| 132 | N | 94 | Very high | 93.2 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 155.5 | 174 | 66.2 | -68.3 | 0 | 0 | 0 | 112 | Y42 I68 N138 S141 Q142 V143 | Y42-N132 WeakPolarHBondContact OH-CB 3.38Å; Y42-N132 PolarHBondContact OH-N 3.04Å; Y42-N132 PolarHBondContact OH-OD1 2.91Å; I68-N132 CarbonylContact O-C 3.59Å; I68-N132 VanDerWaalsContact O-CA 3.22Å; I68-N132 WeakPolarHBondContact O-CA 3.16Å; N132-N138 PolarHBondContact ND2-ND2 3.48Å; N132-S141 WeakPolarHBondContact OD1-CA 2.98Å; N132-S141 WeakPolarHBondContact OD1-CB 3.46Å; N132-Q142 WeakPolarHBondContact CB-O 3.42Å; N132-V143 HydrophobicContact CB-CG1 3.81Å |
| 133 | H | 92.9 | Very high | 93.4 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 125.8 | 160.5 | -76.3 | -58.3 | 0 | 0 | 0 | 109 | I68 L100 S101 D102 N135 | I68-H133 PolarHBondContact O-N 3.34Å; L100-H133 PolarHBondContact O-NE2 3.48Å; S101-H133 PolarHBondContact O-CD2 3.01Å; D102-H133 HydrophobicContact CB-CB 4Å; H133-N135 PolarHBondContact O-N 3.37Å; H133-N135 PolarHBondContact O-ND2 3.05Å |
| 134 | P | 89 | Confident | 93.5 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 73% | 0.734 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -69.6 | 131.5 | 179.4 | 28.9 | -33.1 | 0 | 0 | 0 | 109.9 | ||
| 135 | N | 90.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | trans | -156 | 163.9 | 172.8 | 63.8 | 72.4 | 0 | 0 | 0 | 110.6 | Y66 Y108 H133 L137 N138 | Y66-N135 PolarHBondContact O-ND2 3.28Å; Y108-N135 HydrophobicContact CD1-CB 4.32Å; Y108-N135 HydrophobicContact CE1-CB 3.58Å; Y108-N135 HydrophobicContact CE2-CB 4.06Å; Y108-N135 VanDerWaalsContact CZ-CB 3.43Å; Y108-N135 WeakPolarHBondContact OH-CB 3.35Å; H133-N135 PolarHBondContact O-N 3.37Å; H133-N135 PolarHBondContact O-ND2 3.05Å; N135-L137 PolarHBondContact O-N 3.19Å; N135-L137 WeakPolarHBondContact OD1-CB 3.4Å; N135-L137 PolarHBondContact OD1-N 3.38Å; N135-L137 VanDerWaalsContact OD1-N 3.07Å; N135-N138 PolarHBondContact O-N 2.87Å; N135-N138 WeakPolarHBondContact OD1-CB 3.28Å; N135-N138 PolarHBondContact OD1-N 3.4Å | ||
| 136 | N | 89.2 | Confident | 93.5 | Very high | 149 Ų | 149 | 45.7 Ų | 45.7 | 80% | 0.797 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17 | -173.1 | -61.8 | -8.4 | 0 | 0 | 0 | 114 | L139 | N136-L139 WeakPolarHBondContact O-CD2 3.43Š|
| 137 | L | 89 | Confident | 93.5 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -27.2 | 179 | -59.9 | 174.8 | 0 | 0 | 0 | 112.1 | Y66 Y108 N135 L139 | Y66-L137 HydrophobicContact CD1-CB 4.22Å; Y66-L137 HydrophobicContact CD1-CD1 3.91Å; Y66-L137 HydrophobicContact CD2-CB 3.77Å; Y66-L137 HydrophobicContact CE2-CB 4.29Å; Y66-L137 HydrophobicContact CG-CB 3.77Å; Y66-L137 HydrophobicContact CG-CD1 4.07Å; Y108-L137 HydrophobicContact CD2-CD1 3.94Å; Y108-L137 HydrophobicContact CG-CD1 4.17Å; N135-L137 PolarHBondContact O-N 3.19Å; N135-L137 WeakPolarHBondContact OD1-CB 3.4Å; N135-L137 PolarHBondContact OD1-N 3.38Å; N135-L137 VanDerWaalsContact OD1-N 3.07Å; L137-L139 PolarHBondContact O-N 3.3Å |
| 138 | N | 91.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | trans | -93 | 64.6 | -179.2 | -169.4 | 0.6 | 0 | 0 | 0 | 111.9 | Y66 L67 N132 N135 Y140 S141 Q142 | Y66-N138 HydrophobicContact CD2-CB 4.39Å; L67-N138 HydrophobicContact CD2-CB 3.86Å; L67-N138 VanDerWaalsContact CD2-OD1 3.23Å; L67-N138 WeakPolarHBondContact CD2-OD1 3.46Å; N132-N138 PolarHBondContact ND2-ND2 3.48Å; N135-N138 PolarHBondContact O-N 2.87Å; N135-N138 WeakPolarHBondContact OD1-CB 3.28Å; N135-N138 PolarHBondContact OD1-N 3.4Å; N138-Y140 PolarHBondContact O-N 3.45Å; N138-Y140 VanDerWaalsContact O-N 3.14Å; N138-S141 PolarHBondContact O-N 3.14Å; N138-S141 PolarHBondContact OD1-N 3.02Å; N138-Q142 PolarHBondContact ND2-O 3.12Å; N138-Q142 PolarHBondContact OD1-N 3.47Å | ||
| 139 | L | 89.4 | Confident | 93.3 | Very high | 123 Ų | 123 | 43.1 Ų | 43.1 | 64% | 0.644 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.8 | -175.4 | -60.8 | 175.6 | 0 | 0 | 0 | 114.1 | N136 L137 | N136-L139 WeakPolarHBondContact O-CD2 3.43Å; L137-L139 PolarHBondContact O-N 3.3Å |
| 140 | Y | 92.6 | Very high | 93.2 | Very high | 89 Ų | 89 | 43.1 Ų | 43.1 | 35% | 0.349 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 9.8 | -172.8 | -55 | -59.1 | 0 | 0 | 0 | 113.6 | R38 F39 N138 Q142 | R38-Y140 HydrophobicContact CB-CG 4.26Å; R38-Y140 HydrophobicContact CG-CD1 4.39Å; R38-Y140 HydrophobicContact CG-CD2 4.12Å; R38-Y140 HydrophobicContact CG-CG 3.87Å; F39-Y140 WeakPolarHBondContact CA-O 3.2Å; F39-Y140 AromaticContact CE2-CD1 3.84Å; F39-Y140 HydrophobicContact CE2-CD1 3.84Å; F39-Y140 AromaticContact CZ-CD1 3.74Å; F39-Y140 HydrophobicContact CZ-CD1 3.74Å; F39-Y140 PolarHBondContact N-O 3.07Å; N138-Y140 PolarHBondContact O-N 3.45Å; N138-Y140 VanDerWaalsContact O-N 3.14Å; Y140-Q142 VanDerWaalsContact C-N 3.32Å; Y140-Q142 PolarHBondContact O-N 3.06Å |
| 141 | S | 92.9 | Very high | 93 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | trans | 49.7 | 52.4 | -177.9 | -62 | 0 | 0 | 0 | 0 | 112 | Y42 N132 N138 | Y42-S141 PolarHBondContact OH-O 3.2Å; N132-S141 WeakPolarHBondContact OD1-CA 2.98Å; N132-S141 WeakPolarHBondContact OD1-CB 3.46Å; N138-S141 PolarHBondContact O-N 3.14Å; N138-S141 PolarHBondContact OD1-N 3.02Å | ||
| 142 | Q | 95.2 | Very high | 92.8 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | trans | -98.3 | 159.8 | -179.9 | -70 | 174.6 | -83.1 | 0 | 0 | 111.4 | D16 V35 S36 L67 N132 N138 Y140 | D16-Q142 PolarHBondContact OD2-NE2 3.39Å; V35-Q142 HydrophobicContact CG1-CB 4.02Å; V35-Q142 HydrophobicContact CG1-CG 4.46Å; S36-Q142 PolarHBondContact O-NE2 3.46Å; S36-Q142 WeakPolarHBondContact OG-CA 3.4Å; L67-Q142 HydrophobicContact CD2-CB 4.13Å; N132-Q142 WeakPolarHBondContact CB-O 3.42Å; N138-Q142 PolarHBondContact ND2-O 3.12Å; N138-Q142 PolarHBondContact OD1-N 3.47Å; Y140-Q142 VanDerWaalsContact C-N 3.32Å; Y140-Q142 PolarHBondContact O-N 3.06Å | ||
| 143 | V | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -123.5 | 144.8 | 169.4 | -68 | 0 | 0 | 0 | 0 | 110.1 | W34 S36 Y42 Q44 L67 A69 L129 N132 | W34-V143 HydrophobicContact CH2-CG2 4.15Å; W34-V143 HydrophobicContact CZ3-CG2 4.4Å; S36-V143 PolarHBondContact N-O 3.4Å; S36-V143 PolarHBondContact OG-N 3.17Å; S36-V143 PolarHBondContact OG-O 2.76Å; Y42-V143 HydrophobicContact CE1-CG1 3.76Å; Y42-V143 HydrophobicContact CE1-CG2 4.19Å; Q44-V143 HydrophobicContact CB-CG2 4.33Å; Q44-V143 HydrophobicContact CG-CG2 4.07Å; L67-V143 CarbonylContact O-C 3.56Å; L67-V143 WeakPolarHBondContact O-CA 3.36Å; A69-V143 HydrophobicContact CB-CB 4.23Å; A69-V143 HydrophobicContact CB-CG1 3.79Å; L129-V143 HydrophobicContact CB-CG2 4.2Å; L129-V143 HydrophobicContact CD2-CB 4.28Å; L129-V143 HydrophobicContact CD2-CG2 4.07Å; N132-V143 HydrophobicContact CB-CG1 3.81Å | ||
| 144 | G | 95 | Very high | 92.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 142.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | W34 H64 L67 | W34-G144 CarbonylContact O-C 3.59Å; W34-G144 WeakPolarHBondContact O-CA 3.5Å; H64-G144 PolarHBondContact N-O 3.2Å; L67-G144 PolarHBondContact O-N 3.34Å |
| 145 | I | 96.2 | Very high | 92 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.9 | 172.7 | -62.2 | 178.3 | 0 | 0 | 0 | 107.5 | L24 G33 W34 L46 L129 I148 | L24-I145 HydrophobicContact CD2-CB 4.38Å; L24-I145 HydrophobicContact CD2-CG2 4Å; L24-I145 WeakPolarHBondContact CD2-O 3.3Å; G33-I145 CarbonylContact C-O 3.51Å; W34-I145 HydrophobicContact CE3-CB 4.33Å; W34-I145 HydrophobicContact CE3-CG1 4.35Å; W34-I145 HydrophobicContact CZ3-CG1 4.47Å; W34-I145 PolarHBondContact N-O 3.35Å; W34-I145 PolarHBondContact O-N 3Å; L46-I145 HydrophobicContact CD1-CD1 4.09Å; L129-I145 HydrophobicContact CD1-CD1 4.34Å; L129-I145 HydrophobicContact CD2-CD1 3.84Å; L129-I145 HydrophobicContact CD2-CG1 3.97Å; L129-I145 HydrophobicContact CG-CD1 4.47Å; I145-I148 HydrophobicContact CD1-CD1 4.15Å; I145-I148 HydrophobicContact CG2-CD1 4.04Å; I145-I148 HydrophobicContact CG2-CG1 3.58Å |
| 146 | V | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -46.7 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | G33 L62 H64 | G33-V146 VanDerWaalsContact CA-O 3.31Å; G33-V146 WeakPolarHBondContact CA-O 3.36Å; L62-V146 HydrophobicContact CB-CB 4.41Å; L62-V146 HydrophobicContact CD2-CB 4.08Å; L62-V146 HydrophobicContact CD2-CG1 3.93Å; L62-V146 HydrophobicContact CG-CB 4.09Å; L62-V146 HydrophobicContact CG-CG1 4.49Å; L62-V146 WeakPolarHBondContact O-CB 3.44Å; L62-V146 PolarHBondContact O-N 3.43Å; H64-V146 HydrophobicContact CB-CG2 4.39Å |
| 147 | A | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 L182 M186 | L62-A147 HydrophobicContact CB-CB 4.2Å; L62-A147 PolarHBondContact N-O 3.44Å; L62-A147 PolarHBondContact O-N 2.96Å; A147-L182 HydrophobicContact CB-CD1 3.79Å; A147-L182 HydrophobicContact CB-CD2 4.03Å; A147-L182 HydrophobicContact CB-CG 4.41Å; A147-M186 HydrophobicContact CB-SD 4.13Å |
| 148 | I | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 124.5 | -178.5 | -58.5 | -177.2 | 0 | 0 | 0 | 109.4 | F7 L24 H27 L48 Q60 L61 L127 I145 L150 | F7-I148 VanDerWaalsContact CE1-O 3.26Å; F7-I148 WeakPolarHBondContact CE1-O 3.44Å; F7-I148 HydrophobicContact CZ-CB 4.08Å; F7-I148 HydrophobicContact CZ-CG2 4.25Å; F7-I148 VanDerWaalsContact CZ-O 3.26Å; F7-I148 WeakPolarHBondContact CZ-O 3.5Å; L24-I148 HydrophobicContact CD1-CD1 3.93Å; L24-I148 HydrophobicContact CD2-CG1 4.33Å; H27-I148 PolarHBondContact NE2-N 3.28Å; H27-I148 PolarHBondContact NE2-O 2.57Å; L48-I148 HydrophobicContact CD1-CD1 4.4Å; L48-I148 HydrophobicContact CD1-CG2 3.97Å; Q60-I148 CarbonylContact O-C 3.52Å; Q60-I148 WeakPolarHBondContact O-CA 3.38Å; L61-I148 HydrophobicContact CD2-CB 4.25Å; L61-I148 HydrophobicContact CD2-CD1 4.1Å; L61-I148 HydrophobicContact CD2-CG1 3.73Å; L61-I148 HydrophobicContact CD2-CG2 3.91Å; L127-I148 HydrophobicContact CD1-CD1 3.88Å; I145-I148 HydrophobicContact CD1-CD1 4.15Å; I145-I148 HydrophobicContact CG2-CD1 4.04Å; I145-I148 HydrophobicContact CG2-CG1 3.58Å; I148-L150 HydrophobicContact CG2-CD2 4.24Å |
| 149 | N | 94.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133 | 174.7 | -160.4 | 25.8 | 0 | 0 | 0 | 111 | K4 I59 Q60 E180 L182 | K4-N149 VanDerWaalsContact CD-OD1 3.27Å; K4-N149 WeakPolarHBondContact CD-OD1 3.4Å; K4-N149 WeakPolarHBondContact CE-OD1 3.35Å; K4-N149 VanDerWaalsContact CG-OD1 3.26Å; K4-N149 WeakPolarHBondContact CG-OD1 3.46Å; I59-N149 CarbonylContact C-O 3.47Å; I59-N149 WeakPolarHBondContact CA-O 3.15Å; Q60-N149 HydrophobicContact CB-CB 4.03Å; Q60-N149 HydrophobicContact CG-CB 4.46Å; Q60-N149 PolarHBondContact N-O 3.14Å; Q60-N149 PolarHBondContact O-N 3.39Å; Q60-N149 PolarHBondContact OE1-ND2 3.39Å; N149-E180 PolarHBondContact ND2-O 2.97Å; N149-L182 HydrophobicContact CB-CB 3.84Å; N149-L182 HydrophobicContact CB-CD1 4.17Å; N149-L182 HydrophobicContact CB-CD2 4.35Å; N149-L182 HydrophobicContact CB-CG 4.34Å; N149-L182 PolarHBondContact ND2-N 3.03Å |
| 150 | L | 94.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.1 | 174.8 | -56.7 | -175.6 | 0 | 0 | 0 | 108.3 | K4 L5 F7 L48 L50 F56 I59 I125 I148 | K4-L150 CarbonylContact C-O 3.52Å; K4-L150 WeakPolarHBondContact CA-O 3.35Å; L5-L150 HydrophobicContact CB-CB 4.21Å; L5-L150 PolarHBondContact N-O 3.42Å; F7-L150 HydrophobicContact CB-CD1 4.03Å; F7-L150 HydrophobicContact CD1-CB 4.41Å; F7-L150 HydrophobicContact CD1-CD1 3.76Å; F7-L150 HydrophobicContact CD1-CG 3.86Å; F7-L150 HydrophobicContact CE1-CD1 4.49Å; F7-L150 HydrophobicContact CE1-CG 4.19Å; F7-L150 HydrophobicContact CG-CD1 3.97Å; L48-L150 HydrophobicContact CD1-CD1 4.17Å; L48-L150 HydrophobicContact CD1-CD2 4.45Å; L50-L150 HydrophobicContact CD2-CD1 4.21Å; F56-L150 HydrophobicContact CE1-CD1 4.45Å; I59-L150 HydrophobicContact CB-CD2 4.34Å; I59-L150 HydrophobicContact CD1-CD2 4.01Å; I59-L150 HydrophobicContact CG1-CD2 3.74Å; I59-L150 HydrophobicContact CG2-CD2 3.97Å; I125-L150 HydrophobicContact CD1-CD1 4.1Å; I125-L150 HydrophobicContact CD1-CD2 3.81Å; I148-L150 HydrophobicContact CG2-CD2 4.24Å |
| 151 | I | 92.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.5 | -178.1 | -62.8 | 160.3 | 0 | 0 | 0 | 109.1 | P2 H3 R57 K58 Q60 I176 | P2-I151 HydrophobicContact CB-CG2 3.91Å; H3-I151 WeakPolarHBondContact O-CA 3.33Å; R57-I151 PolarHBondContact N-O 3.28Å; K58-I151 HydrophobicContact CB-CB 4.22Å; K58-I151 HydrophobicContact CB-CD1 4.38Å; K58-I151 HydrophobicContact CD-CD1 4.24Å; K58-I151 PolarHBondContact N-O 3.1Å; K58-I151 VanDerWaalsContact N-O 3.13Å; K58-I151 PolarHBondContact O-N 3.34Å; Q60-I151 HydrophobicContact CG-CD1 4.42Å; I151-I176 HydrophobicContact CD1-CD1 4.42Å; I151-I176 HydrophobicContact CD1-CG2 4.1Å; I151-I176 HydrophobicContact CG2-CD1 4.12Å; I151-I176 HydrophobicContact CG2-CG1 4.24Å; I151-I176 HydrophobicContact CG2-CG2 4.25Å |
| 152 | G | 90.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -161.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P2 H3 S55 | P2-G152 WeakPolarHBondContact CA-O 3.24Å; H3-G152 PolarHBondContact N-O 2.74Å; H3-G152 PolarHBondContact ND1-O 2.51Å; H3-G152 PolarHBondContact O-N 3.48Å; H3-G152 VanDerWaalsContact O-O 3.13Å; S55-G152 CarbonylContact O-C 3.56Å; S55-G152 WeakPolarHBondContact O-CA 3.11Å |
| 153 | D | 89.1 | Confident | 76.9 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137 | 178.6 | -62.8 | -61.2 | 0 | 0 | 0 | 109.2 | M1 P2 H3 A54 S55 R57 | M1-D153 VanDerWaalsContact C-OD1 3.3Å; M1-D153 VanDerWaalsContact O-OD1 3.11Å; P2-D153 WeakPolarHBondContact CA-OD1 3.32Å; H3-D153 IonicContact ND1-OD1 3.6Å; A54-D153 CarbonylContact C-O 3.52Å; A54-D153 WeakPolarHBondContact CA-O 3.33Å; S55-D153 PolarHBondContact N-O 3.03Å; S55-D153 PolarHBondContact O-N 3.34Å; R57-D153 IonicContact NE-OD2 2.75Å; R57-D153 IonicContact NH2-OD2 3.75Å |
| 154 | F | 88 | Confident | 74.1 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 147.7 | 173.3 | -71.6 | -67.9 | 0 | 0 | 0 | 111.3 | H3 L5 P6 A52 A54 | H3-F154 AromaticContact NE2-CD2 3.62Å; H3-F154 AromaticContact NE2-CE2 3.84Å; L5-F154 HydrophobicContact CD2-CD1 4.31Å; L5-F154 HydrophobicContact CD2-CD2 4.12Å; L5-F154 HydrophobicContact CD2-CE1 4.12Å; L5-F154 HydrophobicContact CD2-CE2 3.92Å; L5-F154 HydrophobicContact CD2-CG 4.33Å; L5-F154 HydrophobicContact CD2-CZ 3.94Å; P6-F154 HydrophobicContact CG-CE2 4.43Å; P6-F154 HydrophobicContact CG-CZ 3.95Å; A52-F154 HydrophobicContact CB-CD1 3.7Å; A52-F154 HydrophobicContact CB-CE1 3.9Å; A54-F154 HydrophobicContact CB-CD1 3.92Å; A54-F154 HydrophobicContact CB-CE1 4.31Å |
| 155 | I | 81.9 | Confident | 71.5 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 27% | 0.272 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -105.2 | 115.4 | 180 | -57 | 174.1 | 0 | 0 | 0 | 108.2 | K53 | K53-I155 HydrophobicContact CG-CD1 4.36Å; K53-I155 PolarHBondContact O-N 3.39Å |
| 156 | D | 68.3 | Low | 68.7 | Low | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | trans | -70 | 157.7 | 174.3 | -84.8 | -21.8 | 0 | 0 | 0 | 112.3 | N158 G159 | D156-N158 PolarHBondContact O-N 2.75Å; D156-G159 PolarHBondContact O-N 3.25Å | ||
| 157 | R | 58 | Low | 65.7 | Low | 260 Ų | 260 | 75.7 Ų | 75.7 | 98% | 0.981 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -17.6 | 179.1 | -84.6 | -176.4 | 162.9 | -164.9 | -5.5 | 114.9 | ||
| 158 | N | 47.5 | Very low | 62.8 | Low | 146 Ų | 146 | 81.2 Ų | 81.2 | 78% | 0.781 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.6 | 176.2 | -75.9 | -9.1 | 0 | 0 | 0 | 114.1 | D156 Q160 | D156-N158 PolarHBondContact O-N 2.75Å; N158-Q160 PolarHBondContact O-N 2.83Å |
| 159 | G | 48.6 | Very low | 60 | Low | 62 Ų | 62 | 85.5 Ų | 85.5 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 68.5 | 9.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D156 | D156-G159 PolarHBondContact O-N 3.25Š|
| 160 | Q | 45.9 | Very low | 57.5 | Low | 139 Ų | 139 | 92.2 Ų | 92.2 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | trans | -92.2 | 122.5 | 171.8 | -76.5 | 173.7 | -7.8 | 0 | 0 | 108.1 | N158 | N158-Q160 PolarHBondContact O-N 2.83Š| ||
| 161 | S | 49 | Very low | 55.1 | Low | 69 Ų | 69 | 100 Ų | 100 | 48% | 0.483 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -58.3 | 135.6 | 166 | 45.9 | 0 | 0 | 0 | 0 | 108.6 | S163 | S161-S163 WeakPolarHBondContact O-CB 3.43Å; S161-S163 PolarHBondContact O-N 3.18Å; S161-S163 PolarHBondContact O-OG 3.36Å; S161-S163 PolarHBondContact OG-OG 3.1Å; S161-S163 VanDerWaalsContact OG-OG 3.06Å |
| 162 | D | 46.5 | Very low | 53.1 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -65.4 | 67.3 | -178 | -147.9 | 7.4 | 0 | 0 | 0 | 111.1 | ||
| 163 | S | 47.9 | Very low | 51.2 | Low | 74 Ų | 74 | 114.2 Ų | 114.2 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | trans | -127.5 | 20.1 | -165.3 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | S161 D165 | S161-S163 WeakPolarHBondContact O-CB 3.43Å; S161-S163 PolarHBondContact O-N 3.18Å; S161-S163 PolarHBondContact O-OG 3.36Å; S161-S163 PolarHBondContact OG-OG 3.1Å; S161-S163 VanDerWaalsContact OG-OG 3.06Å; S163-D165 PolarHBondContact O-N 3.03Å | ||
| 164 | D | 36.9 | Very low | 49.9 | Very low | 164 Ų | 164 | 118.8 Ų | 118.8 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | trans | -83.5 | 63.8 | 173.9 | -120.4 | 7.3 | 0 | 0 | 0 | 110.4 | ||||
| 165 | D | 41.7 | Very low | 49 | Very low | 109 Ų | 109 | 122 Ų | 122 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | trans | -155.3 | 70.7 | 162.5 | -135 | 11.8 | 0 | 0 | 0 | 109.9 | S163 K208 | S163-D165 PolarHBondContact O-N 3.03Å; D165-K208 IonicContact OD1-NZ 3.12Å; D165-K208 PolarHBondContact OD1-NZ 3.05Å; D165-K208 IonicContact OD2-NZ 3.87Å; D165-K208 PolarHBondContact OD2-NZ 2.88Å | ||
| 166 | S | 36.3 | Very low | 48.7 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -143 | 122.5 | 172.4 | -65 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 167 | P | 32.9 | Very low | 49.3 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 71% | 0.708 | 64% | 0.643 | S | S | * | * | -116.3 | 144 | 121.3 | 32.7 | -28 | 0 | 0 | 0 | 110.2 | |||||
| 168 | V | 34.1 | Very low | 50.5 | Low | 115 Ų | 115 | 109.2 Ų | 109.2 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 91.9 | 78.9 | 165 | -156.8 | 0 | 0 | 0 | 0 | 117.9 | L170 | V168-L170 VanDerWaalsContact C-N 3.3Å; V168-L170 HydrophobicContact CG1-CD1 4.28Å; V168-L170 PolarHBondContact O-N 3.11Å |
| 169 | G | 36.1 | Very low | 52.3 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 93% | 0.928 | 59% | 0.586 | S | S | * | * | S | Bend | 54.8 | 2.3 | 113.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||
| 170 | L | 42.6 | Very low | 54 | Low | 141 Ų | 141 | 100.9 Ų | 100.9 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | trans | -115.7 | -4.4 | -169.2 | -87.2 | 153.1 | 0 | 0 | 0 | 116.4 | V168 | V168-L170 VanDerWaalsContact C-N 3.3Å; V168-L170 HydrophobicContact CG1-CD1 4.28Å; V168-L170 PolarHBondContact O-N 3.11Å | ||
| 171 | F | 43.3 | Very low | 56.1 | Low | 164 Ų | 164 | 96.2 Ų | 96.2 | 72% | 0.719 | 54% | 0.542 | S | S | * | . | trans | -112.6 | 125.1 | -177.3 | -69.4 | -79.2 | 0 | 0 | 0 | 112.3 | ||||
| 172 | R | 49.3 | Very low | 58 | Low | 209 Ų | 209 | 93 Ų | 93 | 79% | 0.789 | 52% | 0.519 | S | S | * | . | trans | -61.8 | 133.1 | 172.4 | -74.5 | -173.7 | 179.9 | -169.4 | 0.4 | 108.9 | D174 Y175 | R172-D174 PolarHBondContact O-N 3.47Å; R172-Y175 PolarHBondContact O-N 2.9Å; R172-Y175 VanDerWaalsContact O-N 3.13Å | ||
| 173 | P | 51.5 | Low | 59.9 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -27.4 | 177 | -26.5 | 33.4 | 0 | 0 | 0 | 113.4 | R57 | R57-P173 VanDerWaalsContact NH1-C 3.34Å; R57-P173 PolarHBondContact NH1-O 3.28Å |
| 174 | D | 62.2 | Low | 61.9 | Low | 124 Ų | 124 | 86 Ų | 86 | 66% | 0.663 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.5 | -173.2 | -52.3 | -37.7 | 0 | 0 | 0 | 114.7 | R57 R172 I176 | R57-D174 IonicContact NH1-OD1 3.88Å; R57-D174 PolarHBondContact NH1-OD1 3.3Å; R172-D174 PolarHBondContact O-N 3.47Å; D174-I176 PolarHBondContact O-N 3.03Å |
| 175 | Y | 69 | Low | 64.3 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 46% | 0.459 | 44% | 0.441 | S | S | . | . | trans | -74.6 | 113.4 | 179.3 | -178.2 | -89.8 | 0 | 0 | 0 | 110.9 | M1 R172 P177 | M1-Y175 HydrophobicContact CE-CD1 3.33Å; M1-Y175 HydrophobicContact CE-CE1 3.69Å; R172-Y175 PolarHBondContact O-N 2.9Å; R172-Y175 VanDerWaalsContact O-N 3.13Å; Y175-P177 HydrophobicContact CE1-CB 4.36Å; Y175-P177 HydrophobicContact CE1-CG 4.23Å | ||
| 176 | I | 75.7 | Confident | 66.5 | Low | 38 Ų | 38 | 74.2 Ų | 74.2 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | trans | -98.5 | 120.3 | 171.3 | -60.8 | 170.3 | 0 | 0 | 0 | 107.5 | P2 K58 I151 D174 E180 | P2-I176 HydrophobicContact CG-CG1 4.06Å; K58-I176 HydrophobicContact CB-CD1 4.02Å; K58-I176 HydrophobicContact CD-CD1 3.52Å; K58-I176 HydrophobicContact CG-CD1 4.44Å; I151-I176 HydrophobicContact CD1-CD1 4.42Å; I151-I176 HydrophobicContact CD1-CG2 4.1Å; I151-I176 HydrophobicContact CG2-CD1 4.12Å; I151-I176 HydrophobicContact CG2-CG1 4.24Å; I151-I176 HydrophobicContact CG2-CG2 4.25Å; D174-I176 PolarHBondContact O-N 3.03Å; I176-E180 HydrophobicContact CG2-CB 4.16Å | ||
| 177 | P | 79.4 | Confident | 69 | Low | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.019 | 41% | 0.412 | C | S | . | . | trans | -59.4 | 141.6 | 176.7 | -20.8 | 31.2 | 0 | 0 | 0 | 112.1 | M1 Y175 T179 E180 | M1-P177 HydrophobicContact CE-CG 3.88Å; Y175-P177 HydrophobicContact CE1-CB 4.36Å; Y175-P177 HydrophobicContact CE1-CG 4.23Å; P177-T179 PolarHBondContact O-N 3.33Å; P177-T179 VanDerWaalsContact O-N 3.13Å; P177-E180 HydrophobicContact CB-CG 4.05Å; P177-E180 HydrophobicContact CG-CG 4.05Å; P177-E180 WeakPolarHBondContact O-CB 3.17Å; P177-E180 PolarHBondContact O-N 2.82Å | ||
| 178 | P | 83.6 | Confident | 71.6 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -56.2 | -28.6 | 177.2 | -27 | 35.2 | 0 | 0 | 0 | 114.5 | E180 D181 | P178-E180 PolarHBondContact O-N 3.47Å; P178-D181 WeakPolarHBondContact O-CB 3.34Å; P178-D181 PolarHBondContact O-N 3.26Å |
| 179 | T | 85.6 | Confident | 74.2 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -70 | -14.2 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 114.7 | P177 F184 I196 R197 E200 | P177-T179 PolarHBondContact O-N 3.33Å; P177-T179 VanDerWaalsContact O-N 3.13Å; T179-F184 HydrophobicContact CG2-CE1 4.23Å; T179-F184 HydrophobicContact CG2-CE2 4.32Å; T179-F184 HydrophobicContact CG2-CZ 4.06Å; T179-F184 WeakPolarHBondContact O-CD1 3.22Å; T179-I196 HydrophobicContact CG2-CG2 3.8Å; T179-R197 PolarHBondContact O-NE 3.18Å; T179-R197 PolarHBondContact O-NH2 2.9Å; T179-E200 WeakPolarHBondContact CB-OE2 3.4Å; T179-E200 HydrophobicContact CG2-CG 4.3Å; T179-E200 VanDerWaalsContact CG2-OE1 3.22Å; T179-E200 WeakPolarHBondContact CG2-OE1 3.43Å; T179-E200 VanDerWaalsContact CG2-OE2 3.27Å; T179-E200 WeakPolarHBondContact CG2-OE2 3.22Å; T179-E200 PolarHBondContact OG1-OE2 3.48Å |
| 180 | E | 85.2 | Confident | 76.6 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -98 | -5.7 | 176.9 | -57.4 | -64.2 | 159.1 | 0 | 0 | 112 | K4 N149 I176 P177 P178 | K4-E180 WeakPolarHBondContact CB-OE2 3.4Å; K4-E180 PolarHBondContact N-OE2 3.09Å; N149-E180 PolarHBondContact ND2-O 2.97Å; I176-E180 HydrophobicContact CG2-CB 4.16Å; P177-E180 HydrophobicContact CB-CG 4.05Å; P177-E180 HydrophobicContact CG-CG 4.05Å; P177-E180 WeakPolarHBondContact O-CB 3.17Å; P177-E180 PolarHBondContact O-N 2.82Å; P178-E180 PolarHBondContact O-N 3.47Å |
| 181 | D | 88.4 | Confident | 78.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.214 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -77.5 | 143.4 | 178.1 | -158.1 | -57.4 | 0 | 0 | 0 | 111.3 | K58 Q60 P178 A183 F184 | K58-D181 IonicContact NZ-OD2 3.72Å; Q60-D181 VanDerWaalsContact NE2-CG 3.26Å; Q60-D181 PolarHBondContact NE2-OD1 2.78Å; Q60-D181 PolarHBondContact NE2-OD2 3.17Å; Q60-D181 VanDerWaalsContact NE2-OD2 3.1Å; P178-D181 WeakPolarHBondContact O-CB 3.34Å; P178-D181 PolarHBondContact O-N 3.26Å; D181-A183 PolarHBondContact O-N 3.5Å; D181-A183 PolarHBondContact OD1-N 3.22Å; D181-F184 VanDerWaalsContact O-CB 3.3Å; D181-F184 WeakPolarHBondContact O-CB 3.37Å; D181-F184 PolarHBondContact O-N 3.1Å |
| 182 | L | 89 | Confident | 80.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.4 | -33.7 | 177.7 | -178.3 | 55 | 0 | 0 | 0 | 112.9 | H27 Q60 L62 L113 A147 N149 F184 D185 M186 | H27-L182 WeakPolarHBondContact CD2-CD1 3.38Å; Q60-L182 HydrophobicContact CB-CB 4.26Å; Q60-L182 HydrophobicContact CB-CD2 4.23Å; L62-L182 HydrophobicContact CB-CD2 3.98Å; L113-L182 HydrophobicContact CD1-CD2 3.86Å; A147-L182 HydrophobicContact CB-CD1 3.79Å; A147-L182 HydrophobicContact CB-CD2 4.03Å; A147-L182 HydrophobicContact CB-CG 4.41Å; N149-L182 HydrophobicContact CB-CB 3.84Å; N149-L182 HydrophobicContact CB-CD1 4.17Å; N149-L182 HydrophobicContact CB-CD2 4.35Å; N149-L182 HydrophobicContact CB-CG 4.34Å; N149-L182 PolarHBondContact ND2-N 3.03Å; L182-F184 PolarHBondContact O-N 3.09Å; L182-D185 PolarHBondContact O-N 3.18Å; L182-M186 HydrophobicContact CD1-CG 4.29Å; L182-M186 HydrophobicContact CG-CG 4.41Å; L182-M186 WeakPolarHBondContact O-CG 3.38Å; L182-M186 PolarHBondContact O-N 3.42Å |
| 183 | A | 87.3 | Confident | 82.8 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D181 D185 M186 Y187 | D181-A183 PolarHBondContact O-N 3.5Å; D181-A183 PolarHBondContact OD1-N 3.22Å; A183-D185 PolarHBondContact O-N 3.28Å; A183-M186 PolarHBondContact O-N 3.05Å; A183-Y187 WeakPolarHBondContact O-CD2 3.31Å; A183-Y187 PolarHBondContact O-N 3.38Å |
| 184 | F | 89.3 | Confident | 84.5 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | -179.7 | -176.5 | -108.9 | 0 | 0 | 0 | 111.9 | T179 D181 L182 M186 Y187 Q188 A193 I196 H226 | T179-F184 HydrophobicContact CG2-CE1 4.23Å; T179-F184 HydrophobicContact CG2-CE2 4.32Å; T179-F184 HydrophobicContact CG2-CZ 4.06Å; T179-F184 WeakPolarHBondContact O-CD1 3.22Å; D181-F184 VanDerWaalsContact O-CB 3.3Å; D181-F184 WeakPolarHBondContact O-CB 3.37Å; D181-F184 PolarHBondContact O-N 3.1Å; L182-F184 PolarHBondContact O-N 3.09Å; F184-M186 VanDerWaalsContact C-N 3.29Å; F184-M186 PolarHBondContact O-N 3.14Å; F184-Y187 PolarHBondContact O-N 3.23Å; F184-Q188 HydrophobicContact CE2-CB 4.46Å; F184-Q188 HydrophobicContact CE2-CG 4.27Å; F184-Q188 HydrophobicContact CZ-CG 4.22Å; F184-Q188 WeakPolarHBondContact O-CB 3.14Å; F184-Q188 PolarHBondContact O-N 3.42Å; F184-A193 HydrophobicContact CD1-CB 4.41Å; F184-A193 HydrophobicContact CE1-CB 3.69Å; F184-A193 HydrophobicContact CZ-CB 4.22Å; F184-I196 HydrophobicContact CE2-CD1 4.21Å; F184-I196 HydrophobicContact CE2-CG2 4.48Å; F184-I196 HydrophobicContact CZ-CB 4.04Å; F184-I196 HydrophobicContact CZ-CD1 3.78Å; F184-I196 HydrophobicContact CZ-CG2 3.84Å; F184-H226 AromaticContact CE2-CD2 3.68Å; F184-H226 AromaticContact CE2-NE2 3.48Å; F184-H226 WeakPolarHBondContact CE2-NE2 3.41Å |
| 185 | D | 87.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -27.7 | 178 | -72.7 | -38.5 | 0 | 0 | 0 | 113.4 | K4 H27 H28 L182 A183 R197 | K4-D185 IonicContact NZ-OD2 3.23Å; K4-D185 PolarHBondContact NZ-OD2 2.75Å; H27-D185 HydrophobicContact CB-CB 4Å; H28-D185 WeakPolarHBondContact CA-O 3.31Å; L182-D185 PolarHBondContact O-N 3.18Å; A183-D185 PolarHBondContact O-N 3.28Å; D185-R197 VanDerWaalsContact CG-NH2 3.33Å; D185-R197 IonicContact OD1-CZ 3.62Å; D185-R197 IonicContact OD1-NH1 2.99Å; D185-R197 PolarHBondContact OD1-NH1 3.12Å; D185-R197 IonicContact OD1-NH2 2.74Å; D185-R197 PolarHBondContact OD1-NH2 3.45Å; D185-R197 IonicContact OD2-NH2 3.62Å; D185-R197 PolarHBondContact OD2-NH2 2.82Å |
| 186 | M | 88.3 | Confident | 86.7 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.6 | -19 | -178.1 | -72.4 | -56.6 | -34.2 | 0 | 0 | 114.1 | H27 H28 P29 L62 A147 L182 A183 F184 | H27-M186 HydrophobicContact CB-SD 4.27Å; H28-M186 WeakPolarHBondContact O-CE 3.38Å; P29-M186 VanDerWaalsContact CA-O 3.23Å; P29-M186 WeakPolarHBondContact CA-O 3.48Å; P29-M186 WeakPolarHBondContact CG-O 3.29Å; L62-M186 HydrophobicContact CD2-CG 4.28Å; L62-M186 HydrophobicContact CD2-SD 4.48Å; A147-M186 HydrophobicContact CB-SD 4.13Å; L182-M186 HydrophobicContact CD1-CG 4.29Å; L182-M186 HydrophobicContact CG-CG 4.41Å; L182-M186 WeakPolarHBondContact O-CG 3.38Å; L182-M186 PolarHBondContact O-N 3.42Å; A183-M186 PolarHBondContact O-N 3.05Å; F184-M186 VanDerWaalsContact C-N 3.29Å; F184-M186 PolarHBondContact O-N 3.14Å |
| 187 | Y | 87.6 | Confident | 87.3 | Confident | 166 Ų | 166 | 35 Ų | 35 | 65% | 0.651 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -113.6 | -22.8 | -179.1 | -67.5 | -70.2 | 0 | 0 | 0 | 113.5 | A183 F184 | A183-Y187 WeakPolarHBondContact O-CD2 3.31Å; A183-Y187 PolarHBondContact O-N 3.38Å; F184-Y187 PolarHBondContact O-N 3.23Å |
| 188 | Q | 88.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -91.9 | 147 | -178.2 | -154.6 | 72.6 | 13.6 | 0 | 0 | 112 | P29 F184 V192 A193 I196 L225 H226 | P29-Q188 WeakPolarHBondContact CD-O 3.24Å; F184-Q188 HydrophobicContact CE2-CB 4.46Å; F184-Q188 HydrophobicContact CE2-CG 4.27Å; F184-Q188 HydrophobicContact CZ-CG 4.22Å; F184-Q188 WeakPolarHBondContact O-CB 3.14Å; F184-Q188 PolarHBondContact O-N 3.42Å; Q188-V192 HydrophobicContact CG-CG1 4.43Å; Q188-A193 HydrophobicContact CB-CB 4.18Å; Q188-A193 HydrophobicContact CG-CB 4.07Å; Q188-I196 HydrophobicContact CG-CD1 4.29Å; Q188-L225 PolarHBondContact NE2-O 3.47Å; Q188-H226 PolarHBondContact NE2-O 3.07Å |
| 189 | D | 89.2 | Confident | 87.9 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | trans | -58.6 | 133.9 | 164.9 | 177 | 93.4 | 0 | 0 | 0 | 111.4 | E191 V192 A193 G229 L232 R262 | D189-E191 VanDerWaalsContact C-N 3.29Å; D189-E191 PolarHBondContact O-N 3.21Å; D189-E191 WeakPolarHBondContact OD2-CA 3.43Å; D189-E191 VanDerWaalsContact OD2-CB 3.24Å; D189-E191 WeakPolarHBondContact OD2-CB 3.47Å; D189-E191 PolarHBondContact OD2-N 3.35Å; D189-V192 HydrophobicContact CB-CB 4.21Å; D189-V192 HydrophobicContact CB-CG2 4.08Å; D189-V192 PolarHBondContact O-N 3.26Å; D189-V192 PolarHBondContact OD2-N 2.97Å; D189-A193 WeakPolarHBondContact O-CB 3.36Å; D189-A193 PolarHBondContact O-N 2.95Å; D189-G229 PolarHBondContact N-O 3.38Å; D189-L232 HydrophobicContact CB-CB 3.74Å; D189-L232 HydrophobicContact CB-CD1 4.39Å; D189-R262 IonicContact OD1-CZ 2.66Å; D189-R262 IonicContact OD1-NE 3.62Å; D189-R262 IonicContact OD1-NH2 3.28Å; D189-R262 PolarHBondContact OD1-NH2 3.45Å; D189-R262 IonicContact OD2-NH2 3.8Å; D189-R262 PolarHBondContact OD2-NH2 2.69Å | ||
| 190 | P | 86.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 38% | 0.383 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59 | -34.2 | -175.1 | -27.3 | 35.2 | 0 | 0 | 0 | 115 | H28 N194 | H28-P190 HydrophobicContact CB-CG 3.68Å; P190-N194 PolarHBondContact O-N 3.06Å; P190-N194 PolarHBondContact O-ND2 3.1Å |
| 191 | E | 86.1 | Confident | 88.1 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.2 | -45.5 | -178.7 | -161.1 | 174.5 | 164.2 | 0 | 0 | 109.6 | D189 N194 I195 R262 Y266 | D189-E191 VanDerWaalsContact C-N 3.29Å; D189-E191 PolarHBondContact O-N 3.21Å; D189-E191 WeakPolarHBondContact OD2-CA 3.43Å; D189-E191 VanDerWaalsContact OD2-CB 3.24Å; D189-E191 WeakPolarHBondContact OD2-CB 3.47Å; D189-E191 PolarHBondContact OD2-N 3.35Å; E191-N194 PolarHBondContact O-N 3.37Å; E191-I195 WeakPolarHBondContact O-CG1 3.09Å; E191-I195 PolarHBondContact O-N 3.34Å; E191-I195 VanDerWaalsContact O-N 3.14Å; E191-R262 IonicContact OE2-CZ 3.26Å; E191-R262 VanDerWaalsContact OE2-CZ 3.28Å; E191-R262 IonicContact OE2-NH1 2.83Å; E191-R262 PolarHBondContact OE2-NH1 2.88Å; E191-R262 IonicContact OE2-NH2 3.91Å; E191-Y266 WeakPolarHBondContact CG-OH 3.5Å; E191-Y266 PolarHBondContact OE1-OH 3.17Å |
| 192 | V | 88.9 | Confident | 88 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 176 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | Q188 D189 N194 I195 I196 L225 L232 L265 | Q188-V192 HydrophobicContact CG-CG1 4.43Å; D189-V192 HydrophobicContact CB-CB 4.21Å; D189-V192 HydrophobicContact CB-CG2 4.08Å; D189-V192 PolarHBondContact O-N 3.26Å; D189-V192 PolarHBondContact OD2-N 2.97Å; V192-N194 VanDerWaalsContact C-N 3.31Å; V192-N194 PolarHBondContact O-N 3.32Å; V192-I195 WeakPolarHBondContact O-CB 3.45Å; V192-I195 PolarHBondContact O-N 3.34Å; V192-I195 VanDerWaalsContact O-N 3.15Å; V192-I196 HydrophobicContact CG1-CD1 3.75Å; V192-I196 HydrophobicContact CG1-CG1 4.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.4Å; V192-I196 PolarHBondContact O-N 2.91Å; V192-L225 HydrophobicContact CG1-CB 4.01Å; V192-L225 HydrophobicContact CG1-CD2 3.86Å; V192-L225 VanDerWaalsContact CG1-O 3.26Å; V192-L225 WeakPolarHBondContact CG1-O 3.42Å; V192-L232 HydrophobicContact CG2-CD1 3.85Å; V192-L265 HydrophobicContact CG2-CD2 3.86Å |
| 193 | A | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F184 Q188 D189 I196 R197 | F184-A193 HydrophobicContact CD1-CB 4.41Å; F184-A193 HydrophobicContact CE1-CB 3.69Å; F184-A193 HydrophobicContact CZ-CB 4.22Å; Q188-A193 HydrophobicContact CB-CB 4.18Å; Q188-A193 HydrophobicContact CG-CB 4.07Å; D189-A193 WeakPolarHBondContact O-CB 3.36Å; D189-A193 PolarHBondContact O-N 2.95Å; A193-I196 PolarHBondContact O-N 3.29Å; A193-R197 WeakPolarHBondContact O-CG 3.35Å; A193-R197 PolarHBondContact O-N 3.21Å |
| 194 | N | 87.5 | Confident | 88 | Confident | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -37.2 | 177 | -73.3 | -26.5 | 0 | 0 | 0 | 112.6 | P190 E191 V192 R197 R198 | P190-N194 PolarHBondContact O-N 3.06Å; P190-N194 PolarHBondContact O-ND2 3.1Å; E191-N194 PolarHBondContact O-N 3.37Å; V192-N194 VanDerWaalsContact C-N 3.31Å; V192-N194 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact OD1-NH1 2.83Å; N194-R198 PolarHBondContact O-N 2.86Å; N194-R198 VanDerWaalsContact O-N 3.15Å |
| 195 | I | 88 | Confident | 88 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 174 | -66.4 | 166 | 0 | 0 | 0 | 110.3 | E191 V192 R197 R198 L199 L225 Y266 L271 | E191-I195 WeakPolarHBondContact O-CG1 3.09Å; E191-I195 PolarHBondContact O-N 3.34Å; E191-I195 VanDerWaalsContact O-N 3.14Å; V192-I195 WeakPolarHBondContact O-CB 3.45Å; V192-I195 PolarHBondContact O-N 3.34Å; V192-I195 VanDerWaalsContact O-N 3.15Å; I195-R197 PolarHBondContact O-N 3.12Å; I195-R198 WeakPolarHBondContact O-CB 3.04Å; I195-R198 PolarHBondContact O-N 3.15Å; I195-R198 VanDerWaalsContact O-N 3.14Å; I195-L199 HydrophobicContact CG2-CD1 4Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CG 3.41Å; I195-L199 PolarHBondContact O-N 3.22Å; I195-L225 HydrophobicContact CG2-CD1 3.72Å; I195-L225 HydrophobicContact CG2-CD2 4.31Å; I195-Y266 HydrophobicContact CD1-CE1 3.85Å; I195-L271 HydrophobicContact CD1-CD1 4.41Å; I195-L271 HydrophobicContact CG2-CD2 3.84Å |
| 196 | I | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 178.8 | -69.7 | 161 | 0 | 0 | 0 | 110.9 | T179 F184 Q188 V192 A193 R198 L199 E200 I222 L225 H226 | T179-I196 HydrophobicContact CG2-CG2 3.8Å; F184-I196 HydrophobicContact CE2-CD1 4.21Å; F184-I196 HydrophobicContact CE2-CG2 4.48Å; F184-I196 HydrophobicContact CZ-CB 4.04Å; F184-I196 HydrophobicContact CZ-CD1 3.78Å; F184-I196 HydrophobicContact CZ-CG2 3.84Å; Q188-I196 HydrophobicContact CG-CD1 4.29Å; V192-I196 HydrophobicContact CG1-CD1 3.75Å; V192-I196 HydrophobicContact CG1-CG1 4.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.4Å; V192-I196 PolarHBondContact O-N 2.91Å; A193-I196 PolarHBondContact O-N 3.29Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 3.17Å; I196-L199 PolarHBondContact O-N 2.8Å; I196-E200 PolarHBondContact O-N 3.27Å; I196-I222 HydrophobicContact CG2-CG2 4.16Å; I196-L225 HydrophobicContact CD1-CB 3.93Å; I196-L225 HydrophobicContact CG1-CB 3.66Å; I196-L225 HydrophobicContact CG1-CD1 4.23Å; I196-H226 VanDerWaalsContact CD1-CD2 3.47Å; I196-H226 WeakPolarHBondContact CD1-CD2 3.23Å |
| 197 | R | 88.4 | Confident | 87.9 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 175.8 | -73.3 | 176.8 | -179.5 | 127.5 | 5.3 | 112.4 | T179 D185 A193 N194 I195 E200 K201 | T179-R197 PolarHBondContact O-NE 3.18Å; T179-R197 PolarHBondContact O-NH2 2.9Å; D185-R197 VanDerWaalsContact CG-NH2 3.33Å; D185-R197 IonicContact OD1-CZ 3.62Å; D185-R197 IonicContact OD1-NH1 2.99Å; D185-R197 PolarHBondContact OD1-NH1 3.12Å; D185-R197 IonicContact OD1-NH2 2.74Å; D185-R197 PolarHBondContact OD1-NH2 3.45Å; D185-R197 IonicContact OD2-NH2 3.62Å; D185-R197 PolarHBondContact OD2-NH2 2.82Å; A193-R197 WeakPolarHBondContact O-CG 3.35Å; A193-R197 PolarHBondContact O-N 3.21Å; N194-R197 PolarHBondContact OD1-NH1 2.83Å; I195-R197 PolarHBondContact O-N 3.12Å; R197-E200 PolarHBondContact O-N 3.45Å; R197-K201 PolarHBondContact O-N 3.48Å; R197-K201 VanDerWaalsContact O-N 3.11Å |
| 198 | R | 87.2 | Confident | 87.7 | Confident | 143 Ų | 143 | 54.4 Ų | 54.4 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.5 | -171.1 | 170.7 | -178.7 | 178.6 | -2.1 | 111.8 | N194 I195 I196 K201 Q202 L275 | N194-R198 PolarHBondContact O-N 2.86Å; N194-R198 VanDerWaalsContact O-N 3.15Å; I195-R198 WeakPolarHBondContact O-CB 3.04Å; I195-R198 PolarHBondContact O-N 3.15Å; I195-R198 VanDerWaalsContact O-N 3.14Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 3.17Å; R198-K201 PolarHBondContact O-N 2.96Å; R198-Q202 PolarHBondContact O-N 3.44Å; R198-L275 HydrophobicContact CG-CD2 3.89Å |
| 199 | L | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.7 | -74.3 | 178.9 | 0 | 0 | 0 | 111.7 | I195 I196 K201 Q202 K203 I218 A221 I222 L225 L274 L275 | I195-L199 HydrophobicContact CG2-CD1 4Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CG 3.41Å; I195-L199 PolarHBondContact O-N 3.22Å; I196-L199 PolarHBondContact O-N 2.8Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.36Å; L199-Q202 CarbonylContact O-C 3.59Å; L199-Q202 PolarHBondContact O-N 3.21Å; L199-Q202 VanDerWaalsContact O-N 3.16Å; L199-K203 WeakPolarHBondContact O-CB 3.49Å; L199-K203 PolarHBondContact O-N 3.44Å; L199-I218 HydrophobicContact CB-CG2 3.84Å; L199-I218 HydrophobicContact CD2-CG2 4.15Å; L199-I218 HydrophobicContact CG-CG2 4.5Å; L199-I218 VanDerWaalsContact O-CG2 3.26Å; L199-I218 WeakPolarHBondContact O-CG2 3.45Å; L199-A221 HydrophobicContact CD1-CB 4.35Å; L199-I222 HydrophobicContact CB-CD1 3.96Å; L199-I222 HydrophobicContact CB-CG1 3.73Å; L199-I222 HydrophobicContact CD1-CG1 4.15Å; L199-L225 HydrophobicContact CD1-CD1 3.27Å; L199-L274 HydrophobicContact CD2-CB 4.21Å; L199-L275 HydrophobicContact CD2-CD2 4.26Å |
| 200 | E | 88.8 | Confident | 87.6 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.2 | -79.3 | -162.2 | 157 | 0 | 0 | 112.3 | T179 I196 R197 K203 R204 I222 | T179-E200 WeakPolarHBondContact CB-OE2 3.4Å; T179-E200 HydrophobicContact CG2-CG 4.3Å; T179-E200 VanDerWaalsContact CG2-OE1 3.22Å; T179-E200 WeakPolarHBondContact CG2-OE1 3.43Å; T179-E200 VanDerWaalsContact CG2-OE2 3.27Å; T179-E200 WeakPolarHBondContact CG2-OE2 3.22Å; T179-E200 PolarHBondContact OG1-OE2 3.48Å; I196-E200 PolarHBondContact O-N 3.27Å; R197-E200 PolarHBondContact O-N 3.45Å; E200-K203 PolarHBondContact O-N 2.97Å; E200-R204 WeakPolarHBondContact O-CG 3.39Å; E200-R204 PolarHBondContact O-N 3.41Å; E200-R204 IonicContact OE2-NH2 2.73Å; E200-I222 HydrophobicContact CG-CD1 3.86Å |
| 201 | K | 87.1 | Confident | 87.6 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 64% | 0.639 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 174 | -174.1 | 174.5 | -179.4 | 174.4 | 0 | 111 | R197 R198 L199 R204 L205 | R197-K201 PolarHBondContact O-N 3.48Å; R197-K201 VanDerWaalsContact O-N 3.11Å; R198-K201 PolarHBondContact O-N 2.96Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.36Å; K201-R204 PolarHBondContact O-N 3.39Å; K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 2.93Å; K201-L205 VanDerWaalsContact O-N 3.07Å |
| 202 | Q | 86 | Confident | 87.7 | Confident | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.3 | -73.3 | -174.2 | -25.2 | 0 | 0 | 113 | R198 L199 R204 L205 A206 I218 L274 L275 | R198-Q202 PolarHBondContact O-N 3.44Å; L199-Q202 CarbonylContact O-C 3.59Å; L199-Q202 PolarHBondContact O-N 3.21Å; L199-Q202 VanDerWaalsContact O-N 3.16Å; Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 2.94Å; Q202-L205 PolarHBondContact O-N 3.47Å; Q202-A206 WeakPolarHBondContact O-CB 3.5Å; Q202-A206 PolarHBondContact O-N 2.91Å; Q202-I218 HydrophobicContact CB-CD1 3.9Å; Q202-L274 PolarHBondContact OE1-O 3.15Å; Q202-L274 VanDerWaalsContact OE1-O 3.07Å; Q202-L275 PolarHBondContact NE2-O 3.41Å |
| 203 | K | 89.4 | Confident | 87.5 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.1 | 179.7 | -177.9 | 166.3 | -175 | 0 | 110.7 | L199 E200 L205 A206 V207 A215 I218 I222 | L199-K203 WeakPolarHBondContact O-CB 3.49Å; L199-K203 PolarHBondContact O-N 3.44Å; E200-K203 PolarHBondContact O-N 2.97Å; K203-L205 VanDerWaalsContact C-N 3.34Å; K203-L205 PolarHBondContact O-N 3.12Å; K203-A206 PolarHBondContact O-N 2.84Å; K203-V207 VanDerWaalsContact O-CG2 3.29Å; K203-V207 WeakPolarHBondContact O-CG2 3.39Å; K203-V207 PolarHBondContact O-N 2.88Å; K203-A215 HydrophobicContact CG-CB 4.46Å; K203-I218 HydrophobicContact CB-CB 4.34Å; K203-I218 HydrophobicContact CB-CG2 3.73Å; K203-I222 HydrophobicContact CD-CD1 4.35Å |
| 204 | R | 85.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 78 Ų | 78 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.5 | -68.2 | 176.4 | -155.3 | 172.6 | 9.8 | 111.3 | M1 E200 K201 Q202 V207 K208 | M1-R204 PolarHBondContact SD-NH1 3.33Å; M1-R204 VanDerWaalsContact SD-NH1 3.37Å; E200-R204 WeakPolarHBondContact O-CG 3.39Å; E200-R204 PolarHBondContact O-N 3.41Å; E200-R204 IonicContact OE2-NH2 2.73Å; K201-R204 PolarHBondContact O-N 3.39Å; Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 2.94Å; R204-V207 PolarHBondContact O-N 2.97Å; R204-K208 WeakPolarHBondContact O-CB 3.23Å; R204-K208 PolarHBondContact O-N 3.21Å |
| 205 | L | 88.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.7 | -66.8 | 173.7 | 0 | 0 | 0 | 112.3 | K201 Q202 K203 K208 A209 | K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 2.93Å; K201-L205 VanDerWaalsContact O-N 3.07Å; Q202-L205 PolarHBondContact O-N 3.47Å; K203-L205 VanDerWaalsContact C-N 3.34Å; K203-L205 PolarHBondContact O-N 3.12Å; L205-K208 PolarHBondContact O-N 3.17Å; L205-A209 VanDerWaalsContact O-CB 3.26Å; L205-A209 WeakPolarHBondContact O-CB 3.44Å; L205-A209 PolarHBondContact O-N 3.41Å |
| 206 | A | 87.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q202 K203 A209 E210 R211 Q214 A215 I218 | Q202-A206 WeakPolarHBondContact O-CB 3.5Å; Q202-A206 PolarHBondContact O-N 2.91Å; K203-A206 PolarHBondContact O-N 2.84Å; A206-A209 CarbonylContact O-C 3.49Å; A206-A209 PolarHBondContact O-N 3.13Å; A206-E210 PolarHBondContact O-N 3.37Å; A206-E210 VanDerWaalsContact O-N 3.16Å; A206-R211 HydrophobicContact CB-CB 4.38Å; A206-R211 PolarHBondContact O-N 2.99Å; A206-Q214 HydrophobicContact CB-CB 4.32Å; A206-Q214 HydrophobicContact CB-CG 4.31Å; A206-A215 HydrophobicContact CB-CB 3.98Å; A206-I218 HydrophobicContact CB-CD1 4.48Å |
| 207 | V | 87.5 | Confident | 87.2 | Confident | 71 Ų | 71 | 77 Ų | 77 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | K203 R204 A209 E210 A215 | K203-V207 VanDerWaalsContact O-CG2 3.29Å; K203-V207 WeakPolarHBondContact O-CG2 3.39Å; K203-V207 PolarHBondContact O-N 2.88Å; R204-V207 PolarHBondContact O-N 2.97Å; V207-A209 VanDerWaalsContact C-N 3.27Å; V207-A209 PolarHBondContact O-N 3.17Å; V207-E210 PolarHBondContact O-N 2.84Å; V207-E210 VanDerWaalsContact O-N 3.12Å; V207-A215 HydrophobicContact CG2-CB 3.72Å |
| 208 | K | 83 | Confident | 87.2 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 176.9 | -169.3 | -174 | -177.2 | -165.4 | 0 | 112.3 | D165 R204 L205 E210 | D165-K208 IonicContact OD1-NZ 3.12Å; D165-K208 PolarHBondContact OD1-NZ 3.05Å; D165-K208 IonicContact OD2-NZ 3.87Å; D165-K208 PolarHBondContact OD2-NZ 2.88Å; R204-K208 WeakPolarHBondContact O-CB 3.23Å; R204-K208 PolarHBondContact O-N 3.21Å; L205-K208 PolarHBondContact O-N 3.17Å; K208-E210 VanDerWaalsContact C-N 3.28Å |
| 209 | A | 88.7 | Confident | 87.3 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 8.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L205 A206 V207 R211 | L205-A209 VanDerWaalsContact O-CB 3.26Å; L205-A209 WeakPolarHBondContact O-CB 3.44Å; L205-A209 PolarHBondContact O-N 3.41Å; A206-A209 CarbonylContact O-C 3.49Å; A206-A209 PolarHBondContact O-N 3.13Å; V207-A209 VanDerWaalsContact C-N 3.27Å; V207-A209 PolarHBondContact O-N 3.17Å; A209-R211 HydrophobicContact CB-CG 4.16Å; A209-R211 PolarHBondContact O-N 2.87Å; A209-R211 VanDerWaalsContact O-N 3.11Å |
| 210 | E | 86.8 | Confident | 87.3 | Confident | 151 Ų | 151 | 75.7 Ų | 75.7 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 24.6 | -177.7 | -56 | -175.3 | 154.5 | 0 | 0 | 114.2 | A206 V207 K208 F212 | A206-E210 PolarHBondContact O-N 3.37Å; A206-E210 VanDerWaalsContact O-N 3.16Å; V207-E210 PolarHBondContact O-N 2.84Å; V207-E210 VanDerWaalsContact O-N 3.12Å; K208-E210 VanDerWaalsContact C-N 3.28Å; E210-F212 VanDerWaalsContact C-N 3.35Å; E210-F212 HydrophobicContact CB-CE2 3.91Å; E210-F212 HydrophobicContact CB-CZ 4Å; E210-F212 HydrophobicContact CG-CE2 4.49Å; E210-F212 HydrophobicContact CG-CZ 4.2Å; E210-F212 WeakPolarHBondContact O-CD2 3.29Å; E210-F212 PolarHBondContact O-N 3.15Å |
| 211 | R | 87.4 | Confident | 87.3 | Confident | 143 Ų | 143 | 74.3 Ų | 74.3 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | trans | -90.4 | 69.5 | 175.5 | -61.7 | -179.1 | -173.1 | 167.5 | 1.9 | 109.6 | A206 A209 D213 Q214 A215 | A206-R211 HydrophobicContact CB-CB 4.38Å; A206-R211 PolarHBondContact O-N 2.99Å; A209-R211 HydrophobicContact CB-CG 4.16Å; A209-R211 PolarHBondContact O-N 2.87Å; A209-R211 VanDerWaalsContact O-N 3.11Å; R211-D213 PolarHBondContact O-N 3Å; R211-Q214 HydrophobicContact CB-CB 4.13Å; R211-Q214 PolarHBondContact O-N 2.67Å; R211-A215 PolarHBondContact O-N 3.26Å | ||
| 212 | F | 87 | Confident | 87.4 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 54% | 0.544 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -171.3 | -57.6 | -64.3 | 0 | 0 | 0 | 113.7 | E210 Q214 A215 Q216 | E210-F212 VanDerWaalsContact C-N 3.35Å; E210-F212 HydrophobicContact CB-CE2 3.91Å; E210-F212 HydrophobicContact CB-CZ 4Å; E210-F212 HydrophobicContact CG-CE2 4.49Å; E210-F212 HydrophobicContact CG-CZ 4.2Å; E210-F212 WeakPolarHBondContact O-CD2 3.29Å; E210-F212 PolarHBondContact O-N 3.15Å; F212-Q214 VanDerWaalsContact C-N 3.3Å; F212-Q214 PolarHBondContact O-N 2.93Å; F212-A215 CarbonylContact O-C 3.58Å; F212-A215 WeakPolarHBondContact O-CA 3.38Å; F212-A215 WeakPolarHBondContact O-CB 3.47Å; F212-A215 PolarHBondContact O-N 3.49Å; F212-Q216 WeakPolarHBondContact O-CB 3.41Å; F212-Q216 PolarHBondContact O-N 3.41Å |
| 213 | D | 85.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.2 | -42.3 | 176.8 | -50.3 | -23.7 | 0 | 0 | 0 | 111.3 | R211 Q216 G217 | R211-D213 PolarHBondContact O-N 3Å; D213-Q216 PolarHBondContact O-N 3.39Å; D213-G217 PolarHBondContact O-N 3.49Å |
| 214 | Q | 83.8 | Confident | 87.6 | Confident | 50 Ų | 50 | 71 Ų | 71 | 23% | 0.234 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -42 | 174.6 | -171.4 | -177.9 | 16.1 | 0 | 0 | 110.9 | A206 R211 F212 Q216 G217 I218 S277 | A206-Q214 HydrophobicContact CB-CB 4.32Å; A206-Q214 HydrophobicContact CB-CG 4.31Å; R211-Q214 HydrophobicContact CB-CB 4.13Å; R211-Q214 PolarHBondContact O-N 2.67Å; F212-Q214 VanDerWaalsContact C-N 3.3Å; F212-Q214 PolarHBondContact O-N 2.93Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.28Å; Q214-G217 PolarHBondContact O-N 3.39Å; Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CB 3.32Å; Q214-I218 WeakPolarHBondContact O-CD1 3.36Å; Q214-I218 WeakPolarHBondContact O-CG1 3.4Å; Q214-I218 PolarHBondContact O-N 3.09Å; Q214-S277 PolarHBondContact NE2-OG 3.02Å |
| 215 | A | 88.2 | Confident | 87.7 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K203 A206 V207 R211 F212 R219 | K203-A215 HydrophobicContact CG-CB 4.46Å; A206-A215 HydrophobicContact CB-CB 3.98Å; V207-A215 HydrophobicContact CG2-CB 3.72Å; R211-A215 PolarHBondContact O-N 3.26Å; F212-A215 CarbonylContact O-C 3.58Å; F212-A215 WeakPolarHBondContact O-CA 3.38Å; F212-A215 WeakPolarHBondContact O-CB 3.47Å; F212-A215 PolarHBondContact O-N 3.49Å; A215-R219 WeakPolarHBondContact O-CB 3.33Å; A215-R219 PolarHBondContact O-N 2.97Å |
| 216 | Q | 88.1 | Confident | 87.8 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -51.5 | 174.2 | 173.8 | 156.3 | -8.5 | 0 | 0 | 110.9 | F212 D213 Q214 I218 R219 D220 E888 | F212-Q216 WeakPolarHBondContact O-CB 3.41Å; F212-Q216 PolarHBondContact O-N 3.41Å; D213-Q216 PolarHBondContact O-N 3.39Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.28Å; Q216-I218 VanDerWaalsContact C-N 3.27Å; Q216-I218 PolarHBondContact O-N 3.36Å; Q216-R219 WeakPolarHBondContact O-CB 3.5Å; Q216-R219 PolarHBondContact O-N 3.21Å; Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 2.98Å; Q216-E888 PolarHBondContact NE2-OE1 3.39Å; Q216-E888 PolarHBondContact NE2-OE2 3.03Å |
| 217 | G | 87.5 | Confident | 88 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D213 Q214 A221 | D213-G217 PolarHBondContact O-N 3.49Å; Q214-G217 PolarHBondContact O-N 3.39Å; G217-A221 WeakPolarHBondContact O-CB 3.26Å; G217-A221 PolarHBondContact O-N 2.84Å |
| 218 | I | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.5 | -66.7 | 166.1 | 0 | 0 | 0 | 111.7 | L199 Q202 K203 A206 Q214 Q216 D220 A221 I222 L274 | L199-I218 HydrophobicContact CB-CG2 3.84Å; L199-I218 HydrophobicContact CD2-CG2 4.15Å; L199-I218 HydrophobicContact CG-CG2 4.5Å; L199-I218 VanDerWaalsContact O-CG2 3.26Å; L199-I218 WeakPolarHBondContact O-CG2 3.45Å; Q202-I218 HydrophobicContact CB-CD1 3.9Å; K203-I218 HydrophobicContact CB-CB 4.34Å; K203-I218 HydrophobicContact CB-CG2 3.73Å; A206-I218 HydrophobicContact CB-CD1 4.48Å; Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CB 3.32Å; Q214-I218 WeakPolarHBondContact O-CD1 3.36Å; Q214-I218 WeakPolarHBondContact O-CG1 3.4Å; Q214-I218 PolarHBondContact O-N 3.09Å; Q216-I218 VanDerWaalsContact C-N 3.27Å; Q216-I218 PolarHBondContact O-N 3.36Å; I218-D220 VanDerWaalsContact C-N 3.33Å; I218-D220 PolarHBondContact O-N 2.66Å; I218-A221 PolarHBondContact O-N 2.92Å; I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 2.91Å; I218-L274 HydrophobicContact CG1-CD2 4.12Å |
| 219 | R | 90.4 | Very high | 88.4 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 177.4 | 178.1 | -162.6 | 68 | -164.4 | -1.8 | 111.3 | A215 Q216 I222 T223 | A215-R219 WeakPolarHBondContact O-CB 3.33Å; A215-R219 PolarHBondContact O-N 2.97Å; Q216-R219 WeakPolarHBondContact O-CB 3.5Å; Q216-R219 PolarHBondContact O-N 3.21Å; R219-I222 PolarHBondContact O-N 3.4Å; R219-T223 PolarHBondContact O-N 2.89Å; R219-T223 VanDerWaalsContact O-N 3.1Å; R219-T223 PolarHBondContact O-OG1 2.87Å |
| 220 | D | 88.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -177.2 | -58.7 | -14.4 | 0 | 0 | 0 | 110.2 | Q216 I218 T223 Q224 | Q216-D220 VanDerWaalsContact O-CG 3.28Å; Q216-D220 PolarHBondContact O-N 2.98Å; I218-D220 VanDerWaalsContact C-N 3.33Å; I218-D220 PolarHBondContact O-N 2.66Å; D220-T223 WeakPolarHBondContact O-CB 3.25Å; D220-T223 PolarHBondContact O-N 2.92Å; D220-Q224 PolarHBondContact O-N 3.31Å; D220-Q224 VanDerWaalsContact O-N 3.16Å |
| 221 | A | 87.9 | Confident | 88.7 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | L199 G217 I218 T223 Q224 L225 L274 | L199-A221 HydrophobicContact CD1-CB 4.35Å; G217-A221 WeakPolarHBondContact O-CB 3.26Å; G217-A221 PolarHBondContact O-N 2.84Å; I218-A221 PolarHBondContact O-N 2.92Å; A221-T223 VanDerWaalsContact C-N 3.27Å; A221-T223 PolarHBondContact O-N 3Å; A221-Q224 PolarHBondContact O-N 2.95Å; A221-L225 WeakPolarHBondContact O-CB 3.46Å; A221-L225 WeakPolarHBondContact O-CD1 3.36Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.38Å; A221-L274 HydrophobicContact CB-CD1 3.64Å |
| 222 | I | 90.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 175.2 | -72.4 | 164.1 | 0 | 0 | 0 | 111 | I196 L199 E200 K203 I218 R219 L225 H226 | I196-I222 HydrophobicContact CG2-CG2 4.16Å; L199-I222 HydrophobicContact CB-CD1 3.96Å; L199-I222 HydrophobicContact CB-CG1 3.73Å; L199-I222 HydrophobicContact CD1-CG1 4.15Å; E200-I222 HydrophobicContact CG-CD1 3.86Å; K203-I222 HydrophobicContact CD-CD1 4.35Å; I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 2.91Å; R219-I222 PolarHBondContact O-N 3.4Å; I222-L225 PolarHBondContact O-N 3.41Å; I222-H226 PolarHBondContact O-N 3.19Å |
| 223 | T | 89.3 | Confident | 89 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -43 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | R219 D220 A221 H226 Q227 | R219-T223 PolarHBondContact O-N 2.89Å; R219-T223 VanDerWaalsContact O-N 3.1Å; R219-T223 PolarHBondContact O-OG1 2.87Å; D220-T223 WeakPolarHBondContact O-CB 3.25Å; D220-T223 PolarHBondContact O-N 2.92Å; A221-T223 VanDerWaalsContact C-N 3.27Å; A221-T223 PolarHBondContact O-N 3Å; T223-H226 PolarHBondContact O-N 3.18Å; T223-Q227 PolarHBondContact O-N 2.94Å |
| 224 | Q | 88.3 | Confident | 89.3 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.8 | -65.2 | 178.7 | 29.7 | 0 | 0 | 111.7 | D220 A221 H226 Q227 V228 | D220-Q224 PolarHBondContact O-N 3.31Å; D220-Q224 VanDerWaalsContact O-N 3.16Å; A221-Q224 PolarHBondContact O-N 2.95Å; Q224-H226 VanDerWaalsContact C-N 3.31Å; Q224-H226 PolarHBondContact O-N 3.49Å; Q224-Q227 PolarHBondContact O-N 3.37Å; Q224-V228 WeakPolarHBondContact O-CG2 3.37Å; Q224-V228 PolarHBondContact O-N 3.42Å |
| 225 | L | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 177.5 | -76.7 | 162.1 | 0 | 0 | 0 | 112.6 | Q188 V192 I195 I196 L199 A221 I222 G229 L265 I269 | Q188-L225 PolarHBondContact NE2-O 3.47Å; V192-L225 HydrophobicContact CG1-CB 4.01Å; V192-L225 HydrophobicContact CG1-CD2 3.86Å; V192-L225 VanDerWaalsContact CG1-O 3.26Å; V192-L225 WeakPolarHBondContact CG1-O 3.42Å; I195-L225 HydrophobicContact CG2-CD1 3.72Å; I195-L225 HydrophobicContact CG2-CD2 4.31Å; I196-L225 HydrophobicContact CD1-CB 3.93Å; I196-L225 HydrophobicContact CG1-CB 3.66Å; I196-L225 HydrophobicContact CG1-CD1 4.23Å; L199-L225 HydrophobicContact CD1-CD1 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.46Å; A221-L225 WeakPolarHBondContact O-CD1 3.36Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.38Å; I222-L225 PolarHBondContact O-N 3.41Å; L225-G229 PolarHBondContact O-N 2.9Å; L225-L265 HydrophobicContact CD2-CD1 3.93Å; L225-L265 HydrophobicContact CD2-CD2 3.97Å; L225-L265 HydrophobicContact CD2-CG 4.23Å; L225-I269 HydrophobicContact CD1-CD1 4.19Å; L225-I269 HydrophobicContact CD2-CD1 3.56Å; L225-I269 HydrophobicContact CG-CD1 3.54Å |
| 226 | H | 90.7 | Very high | 89.7 | Confident | 66 Ų | 66 | 48 Ų | 48 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.1 | -53.2 | 173.6 | -78.8 | 151.9 | 0 | 0 | 0 | 111.2 | F184 Q188 I196 I222 T223 Q224 V228 G229 E230 | F184-H226 AromaticContact CE2-CD2 3.68Å; F184-H226 AromaticContact CE2-NE2 3.48Å; F184-H226 WeakPolarHBondContact CE2-NE2 3.41Å; Q188-H226 PolarHBondContact NE2-O 3.07Å; I196-H226 VanDerWaalsContact CD1-CD2 3.47Å; I196-H226 WeakPolarHBondContact CD1-CD2 3.23Å; I222-H226 PolarHBondContact O-N 3.19Å; T223-H226 PolarHBondContact O-N 3.18Å; Q224-H226 VanDerWaalsContact C-N 3.31Å; Q224-H226 PolarHBondContact O-N 3.49Å; H226-V228 PolarHBondContact O-N 3.42Å; H226-G229 PolarHBondContact O-N 2.83Å; H226-E230 WeakPolarHBondContact O-CB 3.43Å; H226-E230 PolarHBondContact O-N 2.83Å |
| 227 | Q | 90 | Very high | 89.8 | Confident | 135 Ų | 135 | 48.8 Ų | 48.8 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61 | -46.8 | -178.2 | -65.2 | 176.2 | 1.1 | 0 | 0 | 112.2 | T223 Q224 H231 | T223-Q227 PolarHBondContact O-N 2.94Å; Q224-Q227 PolarHBondContact O-N 3.37Å; Q227-H231 PolarHBondContact O-N 3.27Å |
| 228 | V | 89.4 | Confident | 90 | Very high | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.4 | -40 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | Q224 H226 H231 L232 L265 | Q224-V228 WeakPolarHBondContact O-CG2 3.37Å; Q224-V228 PolarHBondContact O-N 3.42Å; H226-V228 PolarHBondContact O-N 3.42Å; V228-H231 PolarHBondContact O-N 3.35Å; V228-L232 HydrophobicContact CG1-CD1 4.02Å; V228-L232 HydrophobicContact CG1-CG 4.3Å; V228-L232 WeakPolarHBondContact O-CG 3.37Å; V228-L232 PolarHBondContact O-N 3.31Å; V228-L265 HydrophobicContact CB-CD1 3.83Å; V228-L265 HydrophobicContact CG1-CB 4.24Å; V228-L265 HydrophobicContact CG1-CD1 3.83Å; V228-L265 HydrophobicContact CG1-CD2 3.95Å; V228-L265 HydrophobicContact CG1-CG 4.23Å; V228-L265 HydrophobicContact CG2-CD1 3.94Å |
| 229 | G | 90.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72 | -28.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D189 L225 H226 G233 | D189-G229 PolarHBondContact N-O 3.38Å; L225-G229 PolarHBondContact O-N 2.9Å; H226-G229 PolarHBondContact O-N 2.83Å; G229-G233 PolarHBondContact O-N 3.32Å |
| 230 | E | 90.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 169 | -170.2 | -170.5 | 147.8 | 0 | 0 | 110.7 | H226 G233 R234 | H226-E230 WeakPolarHBondContact O-CB 3.43Å; H226-E230 PolarHBondContact O-N 2.83Å; E230-G233 PolarHBondContact O-N 2.96Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE1-CZ 2.6Å; E230-R234 IonicContact OE1-NH1 3.37Å; E230-R234 PolarHBondContact OE1-NH1 2.92Å; E230-R234 IonicContact OE1-NH2 3.43Å |
| 231 | H | 91.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 177.1 | -170 | 33.7 | 0 | 0 | 0 | 112.7 | Q227 V228 G233 R234 L235 M261 | Q227-H231 PolarHBondContact O-N 3.27Å; V228-H231 PolarHBondContact O-N 3.35Å; H231-G233 VanDerWaalsContact C-N 3.29Å; H231-G233 PolarHBondContact O-N 3.21Å; H231-R234 PolarHBondContact O-N 2.95Å; H231-L235 PolarHBondContact O-N 3.21Å; H231-M261 PolarHBondContact CD2-SD 3.16Å; H231-M261 PolarHBondContact NE2-SD 3.01Å; H231-M261 VanDerWaalsContact NE2-SD 3.43Å |
| 232 | L | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 172 | -75.7 | 169.5 | 0 | 0 | 0 | 111.6 | D189 V192 V228 L235 A236 I258 M261 R262 L265 | D189-L232 HydrophobicContact CB-CB 3.74Å; D189-L232 HydrophobicContact CB-CD1 4.39Å; V192-L232 HydrophobicContact CG2-CD1 3.85Å; V228-L232 HydrophobicContact CG1-CD1 4.02Å; V228-L232 HydrophobicContact CG1-CG 4.3Å; V228-L232 WeakPolarHBondContact O-CG 3.37Å; V228-L232 PolarHBondContact O-N 3.31Å; L232-L235 PolarHBondContact O-N 3.17Å; L232-A236 WeakPolarHBondContact O-CB 3.34Å; L232-A236 PolarHBondContact O-N 3.27Å; L232-I258 HydrophobicContact CD2-CB 4.48Å; L232-I258 HydrophobicContact CD2-CG2 4.08Å; L232-M261 HydrophobicContact CD2-CB 4.08Å; L232-M261 HydrophobicContact CD2-CE 3.49Å; L232-M261 VanDerWaalsContact CD2-CE 3.49Å; L232-M261 HydrophobicContact CG-CE 3.91Å; L232-R262 HydrophobicContact CD1-CG 3.91Å; L232-R262 HydrophobicContact CD2-CG 3.84Å; L232-L265 HydrophobicContact CD1-CD2 4.43Å |
| 233 | G | 89 | Confident | 90.5 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | G229 E230 H231 A236 L237 | G229-G233 PolarHBondContact O-N 3.32Å; E230-G233 PolarHBondContact O-N 2.96Å; H231-G233 VanDerWaalsContact C-N 3.29Å; H231-G233 PolarHBondContact O-N 3.21Å; G233-A236 PolarHBondContact O-N 3.47Å; G233-L237 PolarHBondContact O-N 3.37Å |
| 234 | R | 91.8 | Very high | 90.4 | Very high | 117 Ų | 117 | 58.8 Ų | 58.8 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 175 | -76.4 | -168 | -78.8 | -94.6 | -3.9 | 112.9 | E230 H231 A236 L237 E238 | E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE1-CZ 2.6Å; E230-R234 IonicContact OE1-NH1 3.37Å; E230-R234 PolarHBondContact OE1-NH1 2.92Å; E230-R234 IonicContact OE1-NH2 3.43Å; H231-R234 PolarHBondContact O-N 2.95Å; R234-A236 PolarHBondContact O-N 3.25Å; R234-L237 WeakPolarHBondContact O-CB 3.42Å; R234-L237 PolarHBondContact O-N 2.83Å; R234-L237 VanDerWaalsContact O-N 3.12Å; R234-E238 WeakPolarHBondContact O-CG 3.45Å; R234-E238 PolarHBondContact O-N 2.84Å |
| 235 | L | 91 | Very high | 90.4 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -33.8 | 178.6 | -70.2 | -175.1 | 0 | 0 | 0 | 112.3 | H231 L232 L237 E238 K239 K254 Q257 I258 M261 | H231-L235 PolarHBondContact O-N 3.21Å; L232-L235 PolarHBondContact O-N 3.17Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L235-E238 PolarHBondContact O-N 3.38Å; L235-K239 VanDerWaalsContact O-CB 3.24Å; L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 PolarHBondContact O-N 3.13Å; L235-K254 HydrophobicContact CD2-CD 3.98Å; L235-Q257 HydrophobicContact CD1-CB 3.85Å; L235-I258 HydrophobicContact CB-CD1 4.01Å; L235-I258 HydrophobicContact CB-CG1 3.6Å; L235-I258 HydrophobicContact CD1-CG1 4.03Å; L235-M261 HydrophobicContact CD1-CE 3.19Å; L235-M261 HydrophobicContact CD1-SD 4.06Å; L235-M261 HydrophobicContact CG-CE 4.17Å |
| 236 | A | 89.6 | Confident | 90.5 | Very high | 30 Ų | 30 | 66 Ų | 66 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L232 G233 R234 Q240 I258 | L232-A236 WeakPolarHBondContact O-CB 3.34Å; L232-A236 PolarHBondContact O-N 3.27Å; G233-A236 PolarHBondContact O-N 3.47Å; R234-A236 PolarHBondContact O-N 3.25Å; A236-Q240 PolarHBondContact O-N 3.07Å; A236-I258 HydrophobicContact CB-CD1 4.41Å |
| 237 | L | 90 | Very high | 90.5 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 173.2 | -81.8 | 172 | 0 | 0 | 0 | 112.1 | P29 G233 R234 L235 K239 Q240 Q241 | P29-L237 HydrophobicContact CB-CD1 3.91Å; P29-L237 HydrophobicContact CB-CD2 4.45Å; P29-L237 HydrophobicContact CB-CG 3.89Å; P29-L237 WeakPolarHBondContact O-CD2 3.38Å; G233-L237 PolarHBondContact O-N 3.37Å; R234-L237 WeakPolarHBondContact O-CB 3.42Å; R234-L237 PolarHBondContact O-N 2.83Å; R234-L237 VanDerWaalsContact O-N 3.12Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L237-K239 VanDerWaalsContact C-N 3.27Å; L237-K239 PolarHBondContact O-N 3.48Å; L237-Q240 WeakPolarHBondContact O-CA 3.3Å; L237-Q240 WeakPolarHBondContact O-CB 3.39Å; L237-Q240 PolarHBondContact O-N 3.49Å; L237-Q241 PolarHBondContact O-N 2.99Å |
| 238 | E | 91.4 | Very high | 90.6 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 177.3 | -68.9 | 171.5 | -168.2 | 0 | 0 | 111.7 | R234 L235 Q240 Q241 A242 K254 | R234-E238 WeakPolarHBondContact O-CG 3.45Å; R234-E238 PolarHBondContact O-N 2.84Å; L235-E238 PolarHBondContact O-N 3.38Å; E238-Q240 VanDerWaalsContact C-N 3.34Å; E238-Q241 PolarHBondContact O-N 3.27Å; E238-A242 WeakPolarHBondContact O-CB 3.46Å; E238-A242 PolarHBondContact O-N 3.15Å; E238-K254 HydrophobicContact CB-CD 4.21Å; E238-K254 WeakPolarHBondContact OE2-CD 3.16Å; E238-K254 VanDerWaalsContact OE2-CE 3.23Å; E238-K254 WeakPolarHBondContact OE2-CE 3.48Å; E238-K254 IonicContact OE2-NZ 2.81Å; E238-K254 PolarHBondContact OE2-NZ 3.49Å |
| 239 | K | 93 | Very high | 90.6 | Very high | 76 Ų | 76 | 71 Ų | 71 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.2 | -175.8 | -162.4 | 70.8 | -178.3 | 0 | 111.2 | L235 L237 A242 V243 K254 K255 I258 | L235-K239 VanDerWaalsContact O-CB 3.24Å; L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 PolarHBondContact O-N 3.13Å; L237-K239 VanDerWaalsContact C-N 3.27Å; L237-K239 PolarHBondContact O-N 3.48Å; K239-A242 PolarHBondContact O-N 2.81Å; K239-V243 VanDerWaalsContact O-CG2 3.29Å; K239-V243 WeakPolarHBondContact O-CG2 3.48Å; K239-V243 PolarHBondContact O-N 2.91Å; K239-K254 HydrophobicContact CB-CB 3.88Å; K239-K254 HydrophobicContact CG-CB 4.33Å; K239-K255 HydrophobicContact CD-CB 4.22Å; K239-I258 HydrophobicContact CB-CD1 4.44Å; K239-I258 HydrophobicContact CD-CD1 4.16Å |
| 240 | Q | 89.7 | Confident | 90.5 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178.4 | -178.8 | 175.2 | -20.2 | 0 | 0 | 111.3 | G30 A236 L237 E238 A242 V243 E244 | G30-Q240 PolarHBondContact O-OE1 2.85Å; A236-Q240 PolarHBondContact O-N 3.07Å; L237-Q240 WeakPolarHBondContact O-CA 3.3Å; L237-Q240 WeakPolarHBondContact O-CB 3.39Å; L237-Q240 PolarHBondContact O-N 3.49Å; E238-Q240 VanDerWaalsContact C-N 3.34Å; Q240-A242 PolarHBondContact O-N 2.81Å; Q240-V243 WeakPolarHBondContact O-CB 3.22Å; Q240-V243 PolarHBondContact O-N 3.2Å; Q240-V243 VanDerWaalsContact O-N 3.16Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.45Å; Q240-E244 PolarHBondContact O-N 3.31Å |
| 241 | Q | 90.6 | Very high | 90.5 | Very high | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.8 | -177.6 | 178.4 | -5.5 | 0 | 0 | 111.5 | L237 E238 V243 E244 E245 | L237-Q241 PolarHBondContact O-N 2.99Å; E238-Q241 PolarHBondContact O-N 3.27Å; Q241-V243 PolarHBondContact O-N 2.92Å; Q241-E244 CarbonylContact O-C 3.54Å; Q241-E244 PolarHBondContact O-N 3.06Å; Q241-E245 HydrophobicContact CG-CG 4.41Å; Q241-E245 VanDerWaalsContact CG-OE1 3.3Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.47Å; Q241-E245 PolarHBondContact NE2-OE1 3.1Å; Q241-E245 WeakPolarHBondContact O-CG 3.33Å; Q241-E245 PolarHBondContact O-N 3.37Å |
| 242 | A | 91.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -31.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E238 K239 Q240 E246 N247 Q250 A251 | E238-A242 WeakPolarHBondContact O-CB 3.46Å; E238-A242 PolarHBondContact O-N 3.15Å; K239-A242 PolarHBondContact O-N 2.81Å; Q240-A242 PolarHBondContact O-N 2.81Å; A242-E246 PolarHBondContact O-N 3.28Å; A242-N247 CarbonylContact O-C 3.58Å; A242-N247 WeakPolarHBondContact O-CA 3.47Å; A242-N247 PolarHBondContact O-N 3.08Å; A242-Q250 HydrophobicContact CB-CB 4.06Å; A242-A251 HydrophobicContact CB-CB 4Å |
| 243 | V | 90.3 | Very high | 90.7 | Very high | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 172.6 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K239 Q240 Q241 E245 E246 A251 | K239-V243 VanDerWaalsContact O-CG2 3.29Å; K239-V243 WeakPolarHBondContact O-CG2 3.48Å; K239-V243 PolarHBondContact O-N 2.91Å; Q240-V243 WeakPolarHBondContact O-CB 3.22Å; Q240-V243 PolarHBondContact O-N 3.2Å; Q240-V243 VanDerWaalsContact O-N 3.16Å; Q241-V243 PolarHBondContact O-N 2.92Å; V243-E245 VanDerWaalsContact C-N 3.35Å; V243-E246 PolarHBondContact O-N 2.87Å; V243-A251 HydrophobicContact CG2-CB 3.67Å |
| 244 | E | 86.9 | Confident | 90.9 | Very high | 111 Ų | 111 | 81.3 Ų | 81.3 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.8 | -32.6 | 177.7 | -71.2 | 177.3 | 173.8 | 0 | 0 | 112.3 | K32 Q240 Q241 E246 | K32-E244 WeakPolarHBondContact CE-OE1 3.5Å; K32-E244 IonicContact NZ-OE1 3.79Å; K32-E244 PolarHBondContact NZ-OE1 3.05Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.45Å; Q240-E244 PolarHBondContact O-N 3.31Å; Q241-E244 CarbonylContact O-C 3.54Å; Q241-E244 PolarHBondContact O-N 3.06Å; E244-E246 PolarHBondContact O-N 2.84Å |
| 245 | E | 90.3 | Very high | 90.9 | Very high | 111 Ų | 111 | 81.8 Ų | 81.8 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 4.9 | 172.9 | -67.5 | 173.2 | -172.5 | 0 | 0 | 113.4 | Q241 V243 N247 | Q241-E245 HydrophobicContact CG-CG 4.41Å; Q241-E245 VanDerWaalsContact CG-OE1 3.3Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.47Å; Q241-E245 PolarHBondContact NE2-OE1 3.1Å; Q241-E245 WeakPolarHBondContact O-CG 3.33Å; Q241-E245 PolarHBondContact O-N 3.37Å; V243-E245 VanDerWaalsContact C-N 3.35Å; E245-N247 PolarHBondContact O-N 3.17Å; E245-N247 VanDerWaalsContact O-N 3.07Å |
| 246 | E | 90.2 | Very high | 91 | Very high | 141 Ų | 141 | 85.7 Ų | 85.7 | 66% | 0.659 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 19.6 | -175.4 | -56.6 | -173.9 | 160.9 | 0 | 0 | 114.3 | A242 V243 E244 Y248 | A242-E246 PolarHBondContact O-N 3.28Å; V243-E246 PolarHBondContact O-N 2.87Å; E244-E246 PolarHBondContact O-N 2.84Å; E246-Y248 VanDerWaalsContact C-N 3.35Å; E246-Y248 HydrophobicContact CB-CE2 4.33Å; E246-Y248 WeakPolarHBondContact O-CD2 3.25Å; E246-Y248 PolarHBondContact O-N 3.49Å; E246-Y248 VanDerWaalsContact O-N 3.1Å |
| 247 | N | 91.3 | Very high | 91 | Very high | 54 Ų | 54 | 87.4 Ų | 87.4 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | trans | -87.1 | 72.8 | 176 | -166.3 | -20.8 | 0 | 0 | 0 | 111 | A242 E245 E249 Q250 A251 | A242-N247 CarbonylContact O-C 3.58Å; A242-N247 WeakPolarHBondContact O-CA 3.47Å; A242-N247 PolarHBondContact O-N 3.08Å; E245-N247 PolarHBondContact O-N 3.17Å; E245-N247 VanDerWaalsContact O-N 3.07Å; N247-E249 VanDerWaalsContact C-N 3.26Å; N247-E249 PolarHBondContact O-N 2.92Å; N247-Q250 HydrophobicContact CB-CB 4.43Å; N247-Q250 WeakPolarHBondContact ND2-CG 3.5Å; N247-Q250 PolarHBondContact ND2-NE2 2.89Å; N247-Q250 PolarHBondContact ND2-OE1 3.24Å; N247-Q250 PolarHBondContact O-N 2.91Å; N247-Q250 WeakPolarHBondContact OD1-CG 3.31Å; N247-Q250 PolarHBondContact OD1-N 3.32Å; N247-A251 PolarHBondContact O-N 2.97Å | ||
| 248 | Y | 92 | Very high | 91 | Very high | 148 Ų | 148 | 84.5 Ų | 84.5 | 58% | 0.58 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.3 | -28.2 | -175.1 | -55.5 | -61.5 | 0 | 0 | 0 | 114 | E246 A251 K252 | E246-Y248 VanDerWaalsContact C-N 3.35Å; E246-Y248 HydrophobicContact CB-CE2 4.33Å; E246-Y248 WeakPolarHBondContact O-CD2 3.25Å; E246-Y248 PolarHBondContact O-N 3.49Å; E246-Y248 VanDerWaalsContact O-N 3.1Å; Y248-A251 PolarHBondContact O-N 2.65Å; Y248-K252 VanDerWaalsContact O-CB 3.3Å; Y248-K252 WeakPolarHBondContact O-CB 3.3Å; Y248-K252 PolarHBondContact O-N 2.91Å |
| 249 | E | 89.8 | Confident | 90.9 | Very high | 143 Ų | 143 | 84.2 Ų | 84.2 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -47.8 | 176.1 | -71.8 | -60.7 | 138.2 | 0 | 0 | 111.1 | N247 K252 L253 | N247-E249 VanDerWaalsContact C-N 3.26Å; N247-E249 PolarHBondContact O-N 2.92Å; E249-K252 PolarHBondContact O-N 3.46Å; E249-L253 PolarHBondContact O-N 3.36Å |
| 250 | Q | 89.3 | Confident | 90.7 | Very high | 98 Ų | 98 | 86.2 Ų | 86.2 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 174 | -73.3 | -170.9 | 0.6 | 0 | 0 | 111.7 | A242 N247 K252 L253 K254 | A242-Q250 HydrophobicContact CB-CB 4.06Å; N247-Q250 HydrophobicContact CB-CB 4.43Å; N247-Q250 WeakPolarHBondContact ND2-CG 3.5Å; N247-Q250 PolarHBondContact ND2-NE2 2.89Å; N247-Q250 PolarHBondContact ND2-OE1 3.24Å; N247-Q250 PolarHBondContact O-N 2.91Å; N247-Q250 WeakPolarHBondContact OD1-CG 3.31Å; N247-Q250 PolarHBondContact OD1-N 3.32Å; Q250-K252 VanDerWaalsContact C-N 3.26Å; Q250-K252 PolarHBondContact O-N 2.9Å; Q250-L253 PolarHBondContact O-N 3.49Å; Q250-L253 VanDerWaalsContact O-N 3.16Å; Q250-K254 VanDerWaalsContact O-CG 3.29Å; Q250-K254 WeakPolarHBondContact O-CG 3.39Å; Q250-K254 PolarHBondContact O-N 3.01Å |
| 251 | A | 91.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 85.5 Ų | 85.5 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.6 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A242 V243 N247 Y248 K255 | A242-A251 HydrophobicContact CB-CB 4Å; V243-A251 HydrophobicContact CG2-CB 3.67Å; N247-A251 PolarHBondContact O-N 2.97Å; Y248-A251 PolarHBondContact O-N 2.65Å; A251-K255 WeakPolarHBondContact O-CB 3.31Å; A251-K255 PolarHBondContact O-N 3.06Å |
| 252 | K | 92.8 | Very high | 90.3 | Very high | 128 Ų | 128 | 83.8 Ų | 83.8 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -44.4 | 175.2 | -174.8 | -178.9 | 178.6 | -174 | 0 | 111.8 | Y248 E249 Q250 K255 N256 | Y248-K252 VanDerWaalsContact O-CB 3.3Å; Y248-K252 WeakPolarHBondContact O-CB 3.3Å; Y248-K252 PolarHBondContact O-N 2.91Å; E249-K252 PolarHBondContact O-N 3.46Å; Q250-K252 VanDerWaalsContact C-N 3.26Å; Q250-K252 PolarHBondContact O-N 2.9Å; K252-K255 WeakPolarHBondContact O-CB 3.47Å; K252-K255 PolarHBondContact O-N 2.6Å; K252-N256 VanDerWaalsContact O-CG 3.3Å; K252-N256 PolarHBondContact O-N 3.49Å; K252-N256 PolarHBondContact O-OD1 2.72Å |
| 253 | L | 94 | Very high | 89.9 | Confident | 97 Ų | 97 | 85.4 Ų | 85.4 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.2 | -178.8 | 63.2 | 0 | 0 | 0 | 111.5 | E249 Q250 K255 N256 Q257 | E249-L253 PolarHBondContact O-N 3.36Å; Q250-L253 PolarHBondContact O-N 3.49Å; Q250-L253 VanDerWaalsContact O-N 3.16Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.2Å; L253-N256 WeakPolarHBondContact O-CB 3.27Å; L253-N256 PolarHBondContact O-N 3.41Å; L253-N256 VanDerWaalsContact O-N 3.14Å; L253-Q257 WeakPolarHBondContact O-CG 3.27Å; L253-Q257 PolarHBondContact O-N 2.95Å |
| 254 | K | 92 | Very high | 89.5 | Confident | 50 Ų | 50 | 84.6 Ų | 84.6 | 22% | 0.217 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 178 | -63.9 | -70.2 | 171.9 | 179.2 | 0 | 111.9 | L235 E238 K239 Q250 N256 Q257 I258 | L235-K254 HydrophobicContact CD2-CD 3.98Å; E238-K254 HydrophobicContact CB-CD 4.21Å; E238-K254 WeakPolarHBondContact OE2-CD 3.16Å; E238-K254 VanDerWaalsContact OE2-CE 3.23Å; E238-K254 WeakPolarHBondContact OE2-CE 3.48Å; E238-K254 IonicContact OE2-NZ 2.81Å; E238-K254 PolarHBondContact OE2-NZ 3.49Å; K239-K254 HydrophobicContact CB-CB 3.88Å; K239-K254 HydrophobicContact CG-CB 4.33Å; Q250-K254 VanDerWaalsContact O-CG 3.29Å; Q250-K254 WeakPolarHBondContact O-CG 3.39Å; Q250-K254 PolarHBondContact O-N 3.01Å; K254-N256 PolarHBondContact O-N 2.93Å; K254-Q257 PolarHBondContact O-N 3.19Å; K254-I258 VanDerWaalsContact O-CG1 3.31Å; K254-I258 WeakPolarHBondContact O-CG1 3.45Å; K254-I258 PolarHBondContact O-N 2.88Å |
| 255 | K | 92.4 | Very high | 89 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59 | -45.5 | 172.1 | -178.5 | -176.7 | 176.8 | -176.6 | 0 | 111.7 | K239 A251 K252 L253 I258 T259 | K239-K255 HydrophobicContact CD-CB 4.22Å; A251-K255 WeakPolarHBondContact O-CB 3.31Å; A251-K255 PolarHBondContact O-N 3.06Å; K252-K255 WeakPolarHBondContact O-CB 3.47Å; K252-K255 PolarHBondContact O-N 2.6Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 3.2Å; K255-I258 PolarHBondContact O-N 3.14Å; K255-T259 PolarHBondContact O-N 3.22Å; K255-T259 PolarHBondContact O-OG1 2.91Å |
| 256 | N | 91.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 178.6 | -68.3 | -11.4 | 0 | 0 | 0 | 111.5 | K252 L253 K254 I258 T259 E260 | K252-N256 VanDerWaalsContact O-CG 3.3Å; K252-N256 PolarHBondContact O-N 3.49Å; K252-N256 PolarHBondContact O-OD1 2.72Å; L253-N256 WeakPolarHBondContact O-CB 3.27Å; L253-N256 PolarHBondContact O-N 3.41Å; L253-N256 VanDerWaalsContact O-N 3.14Å; K254-N256 PolarHBondContact O-N 2.93Å; N256-I258 PolarHBondContact O-N 3.49Å; N256-T259 PolarHBondContact O-N 2.93Å; N256-E260 WeakPolarHBondContact O-CB 3.31Å; N256-E260 PolarHBondContact O-N 2.95Å |
| 257 | Q | 90.9 | Very high | 87.3 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 174.9 | -70.4 | 178.4 | -25.9 | 0 | 0 | 112.1 | L235 L253 K254 T259 E260 M261 | L235-Q257 HydrophobicContact CD1-CB 3.85Å; L253-Q257 WeakPolarHBondContact O-CG 3.27Å; L253-Q257 PolarHBondContact O-N 2.95Å; K254-Q257 PolarHBondContact O-N 3.19Å; Q257-T259 VanDerWaalsContact C-N 3.35Å; Q257-T259 PolarHBondContact O-N 3.41Å; Q257-E260 PolarHBondContact O-N 3.35Å; Q257-M261 WeakPolarHBondContact O-CB 3.4Å; Q257-M261 WeakPolarHBondContact O-CG 3.29Å; Q257-M261 PolarHBondContact O-N 3.34Å |
| 258 | I | 89.8 | Confident | 86 | Confident | 17 Ų | 17 | 82.5 Ų | 82.5 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 175 | -69.5 | 165.6 | 0 | 0 | 0 | 110.9 | L232 L235 A236 K239 K254 K255 N256 R262 | L232-I258 HydrophobicContact CD2-CB 4.48Å; L232-I258 HydrophobicContact CD2-CG2 4.08Å; L235-I258 HydrophobicContact CB-CD1 4.01Å; L235-I258 HydrophobicContact CB-CG1 3.6Å; L235-I258 HydrophobicContact CD1-CG1 4.03Å; A236-I258 HydrophobicContact CB-CD1 4.41Å; K239-I258 HydrophobicContact CB-CD1 4.44Å; K239-I258 HydrophobicContact CD-CD1 4.16Å; K254-I258 VanDerWaalsContact O-CG1 3.31Å; K254-I258 WeakPolarHBondContact O-CG1 3.45Å; K254-I258 PolarHBondContact O-N 2.88Å; K255-I258 PolarHBondContact O-N 3.14Å; N256-I258 PolarHBondContact O-N 3.49Å; I258-R262 WeakPolarHBondContact O-CB 3.44Å; I258-R262 VanDerWaalsContact O-CG 3.3Å; I258-R262 WeakPolarHBondContact O-CG 3.26Å; I258-R262 PolarHBondContact O-N 3.37Å |
| 259 | T | 89.6 | Confident | 84.7 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | K255 N256 Q257 T263 | K255-T259 PolarHBondContact O-N 3.22Å; K255-T259 PolarHBondContact O-OG1 2.91Å; N256-T259 PolarHBondContact O-N 2.93Å; Q257-T259 VanDerWaalsContact C-N 3.35Å; Q257-T259 PolarHBondContact O-N 3.41Å; T259-T263 WeakPolarHBondContact O-CB 3.41Å; T259-T263 PolarHBondContact O-N 2.89Å; T259-T263 PolarHBondContact O-OG1 2.69Å |
| 260 | E | 89.2 | Confident | 83.4 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -51 | 178.5 | -177.9 | 175.1 | -168.6 | 0 | 0 | 111.5 | N256 Q257 R262 T263 N264 | N256-E260 WeakPolarHBondContact O-CB 3.31Å; N256-E260 PolarHBondContact O-N 2.95Å; Q257-E260 PolarHBondContact O-N 3.35Å; E260-R262 PolarHBondContact O-N 3.45Å; E260-T263 WeakPolarHBondContact O-CB 3.31Å; E260-T263 PolarHBondContact O-N 3.5Å; E260-T263 VanDerWaalsContact O-N 3.09Å; E260-N264 PolarHBondContact O-N 3.4Å |
| 261 | M | 86.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -39 | -179.9 | -69.3 | -165.7 | -37.5 | 0 | 0 | 112.9 | H231 L232 L235 Q257 T263 N264 L265 | H231-M261 PolarHBondContact CD2-SD 3.16Å; H231-M261 PolarHBondContact NE2-SD 3.01Å; H231-M261 VanDerWaalsContact NE2-SD 3.43Å; L232-M261 HydrophobicContact CD2-CB 4.08Å; L232-M261 HydrophobicContact CD2-CE 3.49Å; L232-M261 VanDerWaalsContact CD2-CE 3.49Å; L232-M261 HydrophobicContact CG-CE 3.91Å; L235-M261 HydrophobicContact CD1-CE 3.19Å; L235-M261 HydrophobicContact CD1-SD 4.06Å; L235-M261 HydrophobicContact CG-CE 4.17Å; Q257-M261 WeakPolarHBondContact O-CB 3.4Å; Q257-M261 WeakPolarHBondContact O-CG 3.29Å; Q257-M261 PolarHBondContact O-N 3.34Å; M261-T263 VanDerWaalsContact C-N 3.29Å; M261-T263 PolarHBondContact O-N 2.98Å; M261-N264 PolarHBondContact O-N 3.4Å; M261-L265 WeakPolarHBondContact O-CB 3.25Å; M261-L265 PolarHBondContact O-N 3.39Å |
| 262 | R | 85.6 | Confident | 80.1 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 172.8 | -76.8 | 176.7 | 174.8 | -149.1 | -5.9 | 111.3 | D189 E191 L232 I258 E260 N264 L265 Y266 | D189-R262 IonicContact OD1-CZ 2.66Å; D189-R262 IonicContact OD1-NE 3.62Å; D189-R262 IonicContact OD1-NH2 3.28Å; D189-R262 PolarHBondContact OD1-NH2 3.45Å; D189-R262 IonicContact OD2-NH2 3.8Å; D189-R262 PolarHBondContact OD2-NH2 2.69Å; E191-R262 IonicContact OE2-CZ 3.26Å; E191-R262 VanDerWaalsContact OE2-CZ 3.28Å; E191-R262 IonicContact OE2-NH1 2.83Å; E191-R262 PolarHBondContact OE2-NH1 2.88Å; E191-R262 IonicContact OE2-NH2 3.91Å; L232-R262 HydrophobicContact CD1-CG 3.91Å; L232-R262 HydrophobicContact CD2-CG 3.84Å; I258-R262 WeakPolarHBondContact O-CB 3.44Å; I258-R262 VanDerWaalsContact O-CG 3.3Å; I258-R262 WeakPolarHBondContact O-CG 3.26Å; I258-R262 PolarHBondContact O-N 3.37Å; E260-R262 PolarHBondContact O-N 3.45Å; R262-N264 VanDerWaalsContact C-N 3.35Å; R262-L265 PolarHBondContact O-N 3.31Å; R262-Y266 HydrophobicContact CB-CE2 4.28Å; R262-Y266 WeakPolarHBondContact O-CD2 3.32Å; R262-Y266 PolarHBondContact O-N 2.95Å; R262-Y266 VanDerWaalsContact O-N 3.09Å |
| 263 | T | 81.7 | Confident | 78.6 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.9 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | T259 E260 M261 R267 | T259-T263 WeakPolarHBondContact O-CB 3.41Å; T259-T263 PolarHBondContact O-N 2.89Å; T259-T263 PolarHBondContact O-OG1 2.69Å; E260-T263 WeakPolarHBondContact O-CB 3.31Å; E260-T263 PolarHBondContact O-N 3.5Å; E260-T263 VanDerWaalsContact O-N 3.09Å; M261-T263 VanDerWaalsContact C-N 3.29Å; M261-T263 PolarHBondContact O-N 2.98Å; T263-R267 VanDerWaalsContact CG2-NH2 3.25Å; T263-R267 WeakPolarHBondContact O-CG 3.47Å; T263-R267 PolarHBondContact O-N 3.37Å |
| 264 | N | 82.6 | Confident | 76.9 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.3 | -65.5 | -18.9 | 0 | 0 | 0 | 111.4 | E260 M261 R262 Y266 R267 D268 | E260-N264 PolarHBondContact O-N 3.4Å; M261-N264 PolarHBondContact O-N 3.4Å; R262-N264 VanDerWaalsContact C-N 3.35Å; N264-Y266 VanDerWaalsContact C-N 3.29Å; N264-Y266 PolarHBondContact O-N 3.05Å; N264-R267 PolarHBondContact O-N 2.87Å; N264-R267 PolarHBondContact OD1-NH1 2.86Å; N264-D268 WeakPolarHBondContact O-CB 3.21Å; N264-D268 PolarHBondContact O-N 3.19Å |
| 265 | L | 76.8 | Confident | 75.2 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -53.5 | -44.4 | 176 | -178.6 | 67.2 | 0 | 0 | 0 | 112.6 | V192 L225 V228 L232 M261 R262 R267 I269 | V192-L265 HydrophobicContact CG2-CD2 3.86Å; L225-L265 HydrophobicContact CD2-CD1 3.93Å; L225-L265 HydrophobicContact CD2-CD2 3.97Å; L225-L265 HydrophobicContact CD2-CG 4.23Å; V228-L265 HydrophobicContact CB-CD1 3.83Å; V228-L265 HydrophobicContact CG1-CB 4.24Å; V228-L265 HydrophobicContact CG1-CD1 3.83Å; V228-L265 HydrophobicContact CG1-CD2 3.95Å; V228-L265 HydrophobicContact CG1-CG 4.23Å; V228-L265 HydrophobicContact CG2-CD1 3.94Å; L232-L265 HydrophobicContact CD1-CD2 4.43Å; M261-L265 WeakPolarHBondContact O-CB 3.25Å; M261-L265 PolarHBondContact O-N 3.39Å; R262-L265 PolarHBondContact O-N 3.31Å; L265-R267 VanDerWaalsContact C-N 3.33Å; L265-I269 HydrophobicContact CD1-CD1 3.38Å; L265-I269 HydrophobicContact CD1-CG1 4.19Å; L265-I269 HydrophobicContact CG-CD1 4.13Å; L265-I269 WeakPolarHBondContact O-CB 3.4Å; L265-I269 WeakPolarHBondContact O-CG1 3.23Å; L265-I269 PolarHBondContact O-N 2.89Å; L265-I269 VanDerWaalsContact O-N 3.11Å |
| 266 | Y | 73.1 | Confident | 73.2 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.4 | -20 | 179.6 | -65.6 | -44.1 | 0 | 0 | 0 | 114.3 | E191 I195 R262 N264 L271 | E191-Y266 WeakPolarHBondContact CG-OH 3.5Å; E191-Y266 PolarHBondContact OE1-OH 3.17Å; I195-Y266 HydrophobicContact CD1-CE1 3.85Å; R262-Y266 HydrophobicContact CB-CE2 4.28Å; R262-Y266 WeakPolarHBondContact O-CD2 3.32Å; R262-Y266 PolarHBondContact O-N 2.95Å; R262-Y266 VanDerWaalsContact O-N 3.09Å; N264-Y266 VanDerWaalsContact C-N 3.29Å; N264-Y266 PolarHBondContact O-N 3.05Å; Y266-L271 HydrophobicContact CD1-CD1 3.7Å; Y266-L271 HydrophobicContact CE1-CD1 4.04Å |
| 267 | R | 70.9 | Confident | 70.9 | Confident | 175 Ų | 175 | 65.8 Ų | 65.8 | 66% | 0.66 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -83.3 | -42.3 | 172.4 | -71 | -178.3 | -153.7 | 149.2 | 2.4 | 111.7 | T263 N264 L265 | T263-R267 VanDerWaalsContact CG2-NH2 3.25Å; T263-R267 WeakPolarHBondContact O-CG 3.47Å; T263-R267 PolarHBondContact O-N 3.37Å; N264-R267 PolarHBondContact O-N 2.87Å; N264-R267 PolarHBondContact OD1-NH1 2.86Å; L265-R267 VanDerWaalsContact C-N 3.33Å |
| 268 | D | 64.6 | Low | 68.3 | Low | 125 Ų | 125 | 65.5 Ų | 65.5 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74.5 | -32.9 | -173.2 | -64.6 | -18.5 | 0 | 0 | 0 | 111.5 | N264 | N264-D268 WeakPolarHBondContact O-CB 3.21Å; N264-D268 PolarHBondContact O-N 3.19Å |
| 269 | I | 64.5 | Low | 65.7 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -93.5 | 115.4 | 173 | -55.8 | 178.6 | 0 | 0 | 0 | 107.4 | L225 L265 L271 L274 | L225-I269 HydrophobicContact CD1-CD1 4.19Å; L225-I269 HydrophobicContact CD2-CD1 3.56Å; L225-I269 HydrophobicContact CG-CD1 3.54Å; L265-I269 HydrophobicContact CD1-CD1 3.38Å; L265-I269 HydrophobicContact CD1-CG1 4.19Å; L265-I269 HydrophobicContact CG-CD1 4.13Å; L265-I269 WeakPolarHBondContact O-CB 3.4Å; L265-I269 WeakPolarHBondContact O-CG1 3.23Å; L265-I269 PolarHBondContact O-N 2.89Å; L265-I269 VanDerWaalsContact O-N 3.11Å; I269-L271 HydrophobicContact CB-CD1 4.19Å; I269-L271 HydrophobicContact CB-CG 4.37Å; I269-L271 HydrophobicContact CG2-CB 4.17Å; I269-L271 HydrophobicContact CG2-CD1 3.99Å; I269-L271 HydrophobicContact CG2-CG 3.71Å; I269-L271 PolarHBondContact O-N 2.96Å; I269-L274 HydrophobicContact CG2-CD1 4.18Å |
| 270 | D | 62.3 | Low | 62.7 | Low | 93 Ų | 93 | 72 Ų | 72 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | trans | -69.6 | 61.3 | 168.6 | -164.8 | -2.1 | 0 | 0 | 0 | 110 | M272 K273 L274 | D270-M272 PolarHBondContact O-N 3.12Å; D270-K273 HydrophobicContact CB-CB 4.15Å; D270-K273 PolarHBondContact O-N 3.48Å; D270-K273 WeakPolarHBondContact OD1-CB 3.33Å; D270-K273 PolarHBondContact OD1-N 3.36Å; D270-K273 WeakPolarHBondContact OD2-CB 3.49Å; D270-K273 WeakPolarHBondContact OD2-CD 3.32Å; D270-L274 PolarHBondContact O-N 3.24Å | ||
| 271 | L | 58.8 | Low | 59.8 | Low | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.1 | -32.6 | -174.4 | -118.2 | 151.8 | 0 | 0 | 0 | 110 | I195 Y266 I269 L275 | I195-L271 HydrophobicContact CD1-CD1 4.41Å; I195-L271 HydrophobicContact CG2-CD2 3.84Å; Y266-L271 HydrophobicContact CD1-CD1 3.7Å; Y266-L271 HydrophobicContact CE1-CD1 4.04Å; I269-L271 HydrophobicContact CB-CD1 4.19Å; I269-L271 HydrophobicContact CB-CG 4.37Å; I269-L271 HydrophobicContact CG2-CB 4.17Å; I269-L271 HydrophobicContact CG2-CD1 3.99Å; I269-L271 HydrophobicContact CG2-CG 3.71Å; I269-L271 PolarHBondContact O-N 2.96Å; L271-L275 HydrophobicContact CD2-CD1 3.37Å; L271-L275 HydrophobicContact CD2-CG 3.9Å; L271-L275 WeakPolarHBondContact O-CB 3.4Å; L271-L275 VanDerWaalsContact O-CG 3.23Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 3.27Å |
| 272 | M | 53 | Low | 57.1 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 53% | 0.532 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 171.3 | -74.2 | -73.8 | -77.6 | 0 | 0 | 110.7 | D270 L274 S276 F313 | D270-M272 PolarHBondContact O-N 3.12Å; M272-L274 PolarHBondContact O-N 3.39Å; M272-S276 WeakPolarHBondContact O-CB 3.29Å; M272-S276 PolarHBondContact O-N 3.26Å; M272-S276 PolarHBondContact O-OG 3.18Å; M272-F313 HydrophobicContact CG-CE1 3.88Å; M272-F313 HydrophobicContact CG-CZ 4.34Å; M272-F313 HydrophobicContact SD-CD1 4.21Å; M272-F313 HydrophobicContact SD-CE1 3.93Å; M272-F313 HydrophobicContact SD-CZ 4.31Å |
| 273 | K | 60 | Low | 54.3 | Low | 151 Ų | 151 | 86 Ų | 86 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.9 | -37.4 | 179.2 | -170.3 | 176.6 | 179 | -173.2 | 0 | 113.2 | D270 S277 | D270-K273 HydrophobicContact CB-CB 4.15Å; D270-K273 PolarHBondContact O-N 3.48Å; D270-K273 WeakPolarHBondContact OD1-CB 3.33Å; D270-K273 PolarHBondContact OD1-N 3.36Å; D270-K273 WeakPolarHBondContact OD2-CB 3.49Å; D270-K273 WeakPolarHBondContact OD2-CD 3.32Å; K273-S277 PolarHBondContact O-OG 2.62Å |
| 274 | L | 58.1 | Low | 51.7 | Low | 32 Ų | 32 | 89.7 Ų | 89.7 | 17% | 0.168 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 178.7 | -65.6 | 173.7 | 0 | 0 | 0 | 112.4 | L199 Q202 I218 A221 I269 D270 M272 S277 | L199-L274 HydrophobicContact CD2-CB 4.21Å; Q202-L274 PolarHBondContact OE1-O 3.15Å; Q202-L274 VanDerWaalsContact OE1-O 3.07Å; I218-L274 HydrophobicContact CG1-CD2 4.12Å; A221-L274 HydrophobicContact CB-CD1 3.64Å; I269-L274 HydrophobicContact CG2-CD1 4.18Å; D270-L274 PolarHBondContact O-N 3.24Å; M272-L274 PolarHBondContact O-N 3.39Å; L274-S277 PolarHBondContact O-OG 3.14Å |
| 275 | L | 57.2 | Low | 49.2 | Very low | 28 Ų | 28 | 96.2 Ų | 96.2 | 15% | 0.147 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -82 | -29.4 | -179 | -66.8 | 176.6 | 0 | 0 | 0 | 114 | R198 L199 Q202 L271 | R198-L275 HydrophobicContact CG-CD2 3.89Å; L199-L275 HydrophobicContact CD2-CD2 4.26Å; Q202-L275 PolarHBondContact NE2-O 3.41Å; L271-L275 HydrophobicContact CD2-CD1 3.37Å; L271-L275 HydrophobicContact CD2-CG 3.9Å; L271-L275 WeakPolarHBondContact O-CB 3.4Å; L271-L275 VanDerWaalsContact O-CG 3.23Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 3.27Å |
| 276 | S | 51.4 | Low | 47 | Very low | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -81 | -13.3 | -171.6 | -54.7 | 0 | 0 | 0 | 0 | 114.8 | M272 G278 T279 | M272-S276 WeakPolarHBondContact O-CB 3.29Å; M272-S276 PolarHBondContact O-N 3.26Å; M272-S276 PolarHBondContact O-OG 3.18Å; S276-G278 PolarHBondContact O-N 3.11Å; S276-T279 PolarHBondContact O-N 3.4Å |
| 277 | S | 42.4 | Very low | 44.9 | Very low | 59 Ų | 59 | 108.2 Ų | 108.2 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 7.7 | 175.9 | 21.6 | 0 | 0 | 0 | 0 | 115.2 | Q214 K273 L274 | Q214-S277 PolarHBondContact NE2-OG 3.02Å; K273-S277 PolarHBondContact O-OG 2.62Å; L274-S277 PolarHBondContact O-OG 3.14Å |
| 278 | G | 36.8 | Very low | 43 | Very low | 59 Ų | 59 | 110.8 Ų | 110.8 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 1.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | S276 | S276-G278 PolarHBondContact O-N 3.11Š|
| 279 | T | 33.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -137.8 | 59.3 | -177.4 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | S276 | S276-T279 PolarHBondContact O-N 3.4Š|
| 280 | S | 28.3 | Very low | 39.8 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -161.8 | 128.2 | 165.3 | -66.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 281 | T | 27.7 | Very low | 38.5 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 87% | 0.871 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 88.9 | 61.8 | 172.4 | -16.7 | 0 | 0 | 0 | 0 | 117.2 | ||
| 282 | E | 29.4 | Very low | 37.1 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 90% | 0.902 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -160.5 | 30 | 153.9 | -115.3 | 172.4 | -136.4 | 0 | 0 | 113.3 | ||
| 283 | Q | 27.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -149.9 | 62.1 | 169.9 | -70.5 | -170 | 3.1 | 0 | 0 | 110.5 | ||
| 284 | S | 27.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -156.1 | 124.8 | 166.8 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 285 | E | 28.2 | Very low | 33.5 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | trans | 85.7 | 68.9 | 167.6 | -53.3 | -175.4 | 152.6 | 0 | 0 | 118.4 | ||||
| 286 | Q | 30.8 | Very low | 32.4 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -138 | 103.8 | 132.4 | -72.9 | -166.4 | 10.5 | 0 | 0 | 111.7 | ||||
| 287 | L | 29.2 | Very low | 31.3 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 59.2 | 109.7 | 142.4 | -68.5 | 113.6 | 0 | 0 | 0 | 122.1 | ||||
| 288 | Y | 30.6 | Very low | 30.9 | Very low | 229 Ų | 229 | 146.8 Ų | 146.8 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | 48.4 | 123.4 | 134.7 | -71.2 | -90.5 | 0 | 0 | 0 | 121.2 | ||||
| 289 | G | 30.2 | Very low | 30.5 | Very low | 74 Ų | 74 | 151.3 Ų | 151.3 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 143.4 | 61.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 290 | R | 33.1 | Very low | 30.3 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | 64.4 | 148.4 | 147.2 | -90 | -170.9 | 176.4 | -163.1 | -0.2 | 123 | ||||
| 291 | P | 34.5 | Very low | 30.4 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -116.3 | -179.1 | -167.6 | 41.7 | -26.3 | 0 | 0 | 0 | 115.3 | ||||
| 292 | N | 30.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 159.9 Ų | 159.9 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | 84.2 | 114.6 | 163.5 | -75.1 | -4 | 0 | 0 | 0 | 118.8 | ||||
| 293 | N | 32.6 | Very low | 30.5 | Very low | 145 Ų | 145 | 158 Ų | 158 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | -171.3 | 155.7 | 95.1 | -102.3 | -12.7 | 0 | 0 | 0 | 114.4 | |||||
| 294 | Q | 29.7 | Very low | 30.4 | Very low | 141 Ų | 141 | 158.9 Ų | 158.9 | 66% | 0.659 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 155.2 | -173.4 | -65.4 | 131.1 | -11 | 0 | 0 | 115.3 | ||||
| 295 | F | 31.7 | Very low | 30.5 | Very low | 180 Ų | 180 | 161.4 Ų | 161.4 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | 154.1 | 160.6 | 114.7 | -90.4 | -61.4 | 0 | 0 | 0 | 113.5 | |||||
| 296 | P | 34.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 159 Ų | 159 | 60% | 0.604 | 80% | 0.801 | S | S | * | * | -127.8 | 179.2 | -123.7 | 42.6 | -24 | 0 | 0 | 0 | 115.3 | |||||
| 297 | D | 29.1 | Very low | 30.3 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 55.6 | 118.4 | 154.2 | -60.7 | -28.3 | 0 | 0 | 0 | 120.3 | ||||
| 298 | T | 32.7 | Very low | 30.3 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | -167.3 | 137.2 | 112.9 | 29.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 299 | N | 28.5 | Very low | 30 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -42.1 | 139.5 | -178.7 | -62.8 | -42 | 0 | 0 | 0 | 117.7 | ||||
| 300 | N | 30.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | -163.1 | 132 | 121.6 | -117.3 | -18.1 | 0 | 0 | 0 | 113 | |||||
| 301 | D | 30.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -59.5 | 138.9 | -179.5 | -72 | -61.4 | 0 | 0 | 0 | 114 | ||||
| 302 | R | 28.4 | Very low | 29.2 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | 171.4 | 131.4 | 125.9 | -91 | 158.9 | 177.6 | -169.8 | -1.3 | 112.3 | |||||
| 303 | N | 30.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 70.5 | 88.8 | 159.4 | -60.5 | -10.7 | 0 | 0 | 0 | 118.8 | ||||
| 304 | K | 26.6 | Very low | 29.1 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -119.8 | 104 | 151.8 | -90.1 | -179.2 | 176.9 | 175.9 | 0 | 109.1 | ||||
| 305 | I | 29.9 | Very low | 29.1 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 132.3 | 163.1 | -66.2 | 174.4 | 0 | 0 | 0 | 106.8 | ||
| 306 | N | 28.3 | Very low | 29 | Very low | 139 Ų | 139 | 144 Ų | 144 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 144.6 | -168.3 | -64.5 | -39.5 | 0 | 0 | 0 | 113.6 | I308 | N306-I308 PolarHBondContact O-N 3.26Š|
| 307 | P | 25.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.2 | 162.9 | 29 | -29.8 | 0 | 0 | 0 | 108.2 | ||
| 308 | I | 29.1 | Very low | 28.8 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52 | 125.3 | 168.9 | -61.1 | 165.9 | 0 | 0 | 0 | 106.9 | N306 | N306-I308 PolarHBondContact O-N 3.26Š|
| 309 | P | 24.6 | Very low | 28.5 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 150.6 | -174.9 | 27.2 | -32.7 | 0 | 0 | 0 | 109.7 | I311 | P309-I311 PolarHBondContact O-N 3.5Š|
| 310 | P | 25.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59 | 135.3 | 173.7 | 27 | -31.7 | 0 | 0 | 0 | 108.2 | H312 | P310-H312 PolarHBondContact O-N 3.11Š|
| 311 | I | 29.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | -52.4 | 111.7 | 170.4 | -62.2 | 169.9 | 0 | 0 | 0 | 106.4 | P309 F313 | P309-I311 PolarHBondContact O-N 3.5Å; I311-F313 VanDerWaalsContact C-N 3.28Å; I311-F313 PolarHBondContact O-N 3Å | ||
| 312 | H | 27.3 | Very low | 28.5 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -70.7 | 87.5 | -175.4 | -165 | -89.3 | 0 | 0 | 0 | 108.6 | P310 Q314 S315 | P310-H312 PolarHBondContact O-N 3.11Å; H312-Q314 PolarHBondContact O-N 2.94Å; H312-S315 PolarHBondContact CE1-OG 2.96Å; H312-S315 PolarHBondContact ND1-OG 2.92Å | ||
| 313 | F | 32 | Very low | 28.4 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 55% | 0.553 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 2.7 | -176.2 | -130.4 | -95.1 | 0 | 0 | 0 | 113.9 | M272 I311 | M272-F313 HydrophobicContact CG-CE1 3.88Å; M272-F313 HydrophobicContact CG-CZ 4.34Å; M272-F313 HydrophobicContact SD-CD1 4.21Å; M272-F313 HydrophobicContact SD-CE1 3.93Å; M272-F313 HydrophobicContact SD-CZ 4.31Å; I311-F313 VanDerWaalsContact C-N 3.28Å; I311-F313 PolarHBondContact O-N 3Å |
| 314 | Q | 27.7 | Very low | 28.3 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 6.1 | -164.7 | -146.8 | 106.9 | 16.3 | 0 | 0 | 115.4 | H312 | H312-Q314 PolarHBondContact O-N 2.94Š|
| 315 | S | 29.4 | Very low | 28.3 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -104.3 | 2.7 | -174.4 | -92 | 0 | 0 | 0 | 0 | 117.2 | H312 | H312-S315 PolarHBondContact CE1-OG 2.96Å; H312-S315 PolarHBondContact ND1-OG 2.92Å |
| 316 | L | 30.1 | Very low | 28.2 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -106.8 | 15.5 | 179.6 | -69.4 | 173.1 | 0 | 0 | 0 | 114.1 | ||
| 317 | L | 28.6 | Very low | 28 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -119.8 | 49.2 | 171.8 | -64.8 | 174.5 | 0 | 0 | 0 | 110.4 | ||
| 318 | I | 30 | Very low | 28.1 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -138.3 | 112.7 | 162.3 | -58.7 | -178.3 | 0 | 0 | 0 | 107.3 | ||||
| 319 | T | 27 | Very low | 28.1 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -56.2 | 143.1 | 164.2 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 320 | D | 27.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 62.5 | 108.6 | 157.7 | -56.1 | -36.8 | 0 | 0 | 0 | 118.5 | ||||
| 321 | D | 32.4 | Very low | 28.6 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | -161.7 | 94.8 | 136.4 | -91.8 | -28.1 | 0 | 0 | 0 | 109.9 | ||||
| 322 | L | 28.9 | Very low | 28.8 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 144.3 | 159.8 | -76.4 | 166.2 | 0 | 0 | 0 | 109.1 | ||||
| 323 | N | 27.1 | Very low | 28.9 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 70.9 | 137.6 | 171.6 | -74.9 | -17.2 | 0 | 0 | 0 | 116.6 | ||||
| 324 | G | 28.2 | Very low | 29 | Very low | 62 Ų | 62 | 148.4 Ų | 148.4 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | 162.7 | 134 | 6.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 325 | N | 26.5 | Very low | 29.2 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -110.7 | 62.2 | 166.7 | -144.1 | 12.9 | 0 | 0 | 0 | 108.1 | ||||
| 326 | W | 26.4 | Very low | 29.3 | Very low | 239 Ų | 239 | 150 Ų | 150 | 91% | 0.905 | 80% | 0.802 | S | S | * | * | trans | -99.5 | 136.5 | 160.5 | -75.2 | 98.1 | 0 | 0 | 0 | 108 | ||||
| 327 | R | 25.1 | Very low | 29.4 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -54 | 142.2 | -171.4 | -63.7 | 169.9 | 169.9 | -168.9 | -4.3 | 113.3 | ||||
| 328 | N | 27.4 | Very low | 29.5 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 116.4 | 149 | -68.9 | -12.6 | 0 | 0 | 0 | 120.8 | ||||
| 329 | N | 28.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 71.4 | 116 | 136.6 | -65.8 | -14.3 | 0 | 0 | 0 | 121.5 | ||||
| 330 | G | 27.9 | Very low | 29.8 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 121 | 108.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 331 | P | 32.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | trans | -97.9 | 153.4 | 178.3 | 36.9 | -29.6 | 0 | 0 | 0 | 112 | ||||
| 332 | Y | 34.2 | Very low | 30 | Very low | 238 Ų | 238 | 147 Ų | 147 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | trans | -169.1 | 153.5 | 132.9 | -81.3 | -57.9 | 0 | 0 | 0 | 111 | ||||
| 333 | S | 30.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -99.2 | 167 | -154.2 | -174.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 334 | V | 33.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 151.5 | 118.3 | 119.7 | 174 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 335 | N | 30.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -7.4 | 147.6 | 148.4 | -72.5 | -8.6 | 0 | 0 | 0 | 122.1 | ||||
| 336 | N | 32.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | 167.9 | 134.1 | 93.9 | -103.1 | -25.4 | 0 | 0 | 0 | 115.7 | |||||
| 337 | N | 30.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -7.1 | 147.9 | 150.7 | -63.3 | -23.8 | 0 | 0 | 0 | 123.3 | ||||
| 338 | S | 32.1 | Very low | 31 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 155.2 | 116.1 | 115 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 339 | S | 29.5 | Very low | 31.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 72.3 | 116.5 | 92.2 | -55.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 340 | N | 32.9 | Very low | 31.1 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | 168.6 | 140.7 | 113.2 | -85.5 | -21.6 | 0 | 0 | 0 | 115 | |||||
| 341 | N | 29.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -64.4 | 163.4 | 171.9 | -74.7 | -37.2 | 0 | 0 | 0 | 113.9 | ||||
| 342 | D | 34.8 | Very low | 31.3 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | -163.7 | 150.4 | 122.5 | -102 | -28.9 | 0 | 0 | 0 | 115.6 | |||||
| 343 | N | 30.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -91.8 | 165.6 | -168.9 | -64 | -71.5 | 0 | 0 | 0 | 114.6 | ||||
| 344 | N | 31.3 | Very low | 30.9 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 145.5 | 121.2 | 132.1 | -91.8 | -13.5 | 0 | 0 | 0 | 112.8 | ||||
| 345 | Q | 31.8 | Very low | 30.6 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | 95.6 | 133.9 | 66.7 | -84.4 | -173.6 | 30.1 | 0 | 0 | 114.3 | |||||
| 346 | G | 30.7 | Very low | 30.6 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 118.5 | 90.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 347 | A | 28.5 | Very low | 30.6 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 76.2 | 126.4 | 68 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 348 | D | 30.6 | Very low | 30.8 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 115.9 | 115.1 | 135.5 | -75.8 | -12.2 | 0 | 0 | 0 | 123 | ||||
| 349 | Y | 32.5 | Very low | 31 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 97.3 | 106.1 | 142.3 | -84.7 | -110.4 | 0 | 0 | 0 | 123.6 | ||||
| 350 | F | 26.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.833 | 72% | 0.719 | S | S | * | * | trans | -62 | -173.7 | 153.6 | -87.8 | -85.2 | 0 | 0 | 0 | 113.6 | ||||
| 351 | P | 34.5 | Very low | 32.4 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | cis | -146.6 | -176.2 | 2.9 | 17.7 | 12.6 | 0 | 0 | 0 | 118 | ||||
| 352 | F | 29.5 | Very low | 33.2 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 75% | 0.746 | 67% | 0.67 | S | S | * | * | trans | 114 | 93.6 | 141.2 | -83 | -74.6 | 0 | 0 | 0 | 122.2 | ||||
| 353 | R | 25.4 | Very low | 33.8 | Very low | 223 Ų | 223 | 124.7 Ų | 124.7 | 84% | 0.842 | 64% | 0.642 | S | S | * | * | 47.3 | 124 | 127.1 | -66.1 | -172.1 | -171.1 | -152.1 | 0.1 | 122.4 | |||||
| 354 | R | 30.4 | Very low | 34.7 | Very low | 246 Ų | 246 | 127.8 Ų | 127.8 | 93% | 0.928 | 64% | 0.644 | S | S | * | * | -162.5 | 149.6 | 111.4 | -106.2 | 177.3 | -164.6 | 177.3 | 5.3 | 112.1 | |||||
| 355 | A | 27.2 | Very low | 35.3 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 63% | 0.628 | S | S | * | * | trans | -73 | 150.7 | -158 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 356 | Y | 31.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | trans | -125.8 | 140.7 | 157.1 | -72.2 | -81.5 | 0 | 0 | 0 | 109.4 | ||||
| 357 | P | 33.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 71% | 0.714 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 153.4 | -168.8 | 31.9 | -34 | 0 | 0 | 0 | 113.8 | ||
| 358 | S | 33.4 | Very low | 37.1 | Very low | 64 Ų | 64 | 116.8 Ų | 116.8 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 126.9 | 179.8 | -172.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 359 | N | 36.7 | Very low | 37.8 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 144.6 | 160.8 | -67.4 | -46.4 | 0 | 0 | 0 | 108.6 | E865 | N359-E865 VanDerWaalsContact C-CD 3.5Å; N359-E865 VanDerWaalsContact CB-OE1 3.3Å; N359-E865 WeakPolarHBondContact CB-OE1 3.44Å; N359-E865 VanDerWaalsContact O-CD 3.25Å; N359-E865 WeakPolarHBondContact O-CG 3.17Å |
| 360 | D | 43.1 | Very low | 38.2 | Very low | 13 Ų | 13 | 109.1 Ų | 109.1 | 7% | 0.07 | 54% | 0.544 | C | S | . | . | trans | -119 | 141.9 | 165.7 | -172.3 | 18.1 | 0 | 0 | 0 | 108.5 | D362 E363 R735 E865 | D360-D362 PolarHBondContact O-N 3.2Å; D360-D362 VanDerWaalsContact O-N 3.16Å; D360-E363 HydrophobicContact CB-CB 4.39Å; D360-E363 HydrophobicContact CB-CG 4.08Å; D360-E363 WeakPolarHBondContact O-CA 3.49Å; D360-E363 VanDerWaalsContact O-CB 3.27Å; D360-E363 WeakPolarHBondContact O-CB 3.46Å; D360-E363 PolarHBondContact O-N 3.08Å; D360-R735 IonicContact OD2-CZ 3.79Å; D360-R735 IonicContact OD2-NE 3.1Å; D360-R735 IonicContact OD2-NH1 2.99Å; D360-R735 IonicContact OD2-NH2 3Å; D360-R735 PolarHBondContact OD2-NH2 3.36Å; D360-E865 WeakPolarHBondContact CA-OE1 3.21Å; D360-E865 PolarHBondContact N-OE1 2.69Å | ||
| 361 | P | 47.6 | Very low | 38.7 | Very low | 40 Ų | 40 | 106.1 Ų | 106.1 | 26% | 0.26 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -64.8 | -25.2 | -178 | -17.2 | 32.1 | 0 | 0 | 0 | 111.5 | E363 R364 E865 L869 | P361-E363 PolarHBondContact O-N 2.89Å; P361-R364 PolarHBondContact O-N 3.29Å; P361-E865 WeakPolarHBondContact CD-OE1 3.42Å; P361-E865 HydrophobicContact CG-CB 3.68Å; P361-E865 HydrophobicContact CG-CG 4.04Å; P361-L869 HydrophobicContact CB-CD1 3.86Å; P361-L869 HydrophobicContact CG-CD1 3.62Å; P361-L869 HydrophobicContact CG-CG 4.09Å |
| 362 | D | 47.7 | Very low | 39.1 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 37% | 0.369 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -69.6 | -10.9 | 171.4 | -76.9 | -17.1 | 0 | 0 | 0 | 112.5 | D360 R731 | D360-D362 PolarHBondContact O-N 3.2Å; D360-D362 VanDerWaalsContact O-N 3.16Å; D362-R731 IonicContact OD2-CZ 3.64Å; D362-R731 IonicContact OD2-NH1 2.64Å; D362-R731 PolarHBondContact OD2-NH1 3.31Å |
| 363 | E | 47.4 | Very low | 39.5 | Very low | 61 Ų | 61 | 107.3 Ų | 107.3 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -90.9 | -0.9 | 175.9 | -77.6 | -165.3 | 165.8 | 0 | 0 | 114.8 | D360 P361 P365 R698 R735 | D360-E363 HydrophobicContact CB-CB 4.39Å; D360-E363 HydrophobicContact CB-CG 4.08Å; D360-E363 WeakPolarHBondContact O-CA 3.49Å; D360-E363 VanDerWaalsContact O-CB 3.27Å; D360-E363 WeakPolarHBondContact O-CB 3.46Å; D360-E363 PolarHBondContact O-N 3.08Å; P361-E363 PolarHBondContact O-N 2.89Å; E363-P365 WeakPolarHBondContact O-CD 3.48Å; E363-R698 VanDerWaalsContact CA-NH1 3.3Å; E363-R698 VanDerWaalsContact CG-NH2 3.31Å; E363-R698 PolarHBondContact O-NH1 3.01Å; E363-R698 PolarHBondContact O-NH2 2.71Å; E363-R698 IonicContact OE1-NH2 2.59Å; E363-R735 IonicContact OE1-CZ 3.46Å; E363-R735 IonicContact OE1-NH1 2.93Å; E363-R735 PolarHBondContact OE1-NH1 3.47Å; E363-R735 IonicContact OE2-NH1 2.67Å |
| 364 | R | 48.1 | Very low | 39.8 | Very low | 199 Ų | 199 | 107.9 Ų | 107.9 | 75% | 0.751 | 54% | 0.536 | S | S | * | . | trans | -63.9 | 113.3 | 178.9 | -160.3 | 175.8 | -75.4 | 179.6 | -1.8 | 109.7 | P361 | P361-R364 PolarHBondContact O-N 3.29Š| ||
| 365 | P | 45.6 | Very low | 39.8 | Very low | 58 Ų | 58 | 102.9 Ų | 102.9 | 38% | 0.377 | 53% | 0.527 | S | S | . | . | trans | -62.4 | 152.4 | 176.7 | 26.1 | -31.8 | 0 | 0 | 0 | 109.3 | E363 L369 | E363-P365 WeakPolarHBondContact O-CD 3.48Å; P365-L369 HydrophobicContact CB-CB 3.9Å; P365-L369 HydrophobicContact CB-CD1 4.47Å | ||
| 366 | L | 42.5 | Very low | 39.9 | Very low | 25 Ų | 25 | 105.9 Ų | 105.9 | 13% | 0.131 | 53% | 0.53 | C | S | . | . | trans | -42.5 | 138.6 | 171.9 | -68.4 | 169.1 | 0 | 0 | 0 | 108.7 | A368 L369 T641 Y644 N691 A695 | L366-A368 PolarHBondContact O-N 3.08Å; L366-L369 HydrophobicContact CB-CB 4.47Å; L366-L369 HydrophobicContact CB-CD1 3.98Å; L366-L369 HydrophobicContact CB-CG 4.2Å; L366-L369 HydrophobicContact CD1-CD1 4.04Å; L366-L369 HydrophobicContact CG-CD1 4.18Å; L366-L369 WeakPolarHBondContact O-CB 3.35Å; L366-L369 PolarHBondContact O-N 3.17Å; L366-T641 HydrophobicContact CD1-CG2 3.72Å; L366-T641 HydrophobicContact CD2-CG2 3.92Å; L366-T641 HydrophobicContact CG-CG2 4.4Å; L366-Y644 HydrophobicContact CD1-CD1 4.1Å; L366-Y644 HydrophobicContact CD1-CE1 4.29Å; L366-N691 HydrophobicContact CD2-CB 4.45Å; L366-A695 HydrophobicContact CD1-CB 3.57Å; L366-A695 HydrophobicContact CD2-CB 4.44Å; L366-A695 HydrophobicContact CG-CB 3.92Å | ||
| 367 | P | 43.7 | Very low | 39.9 | Very low | 123 Ų | 123 | 103.2 Ų | 103.2 | 80% | 0.799 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -47.4 | -34.4 | -176 | -29.8 | 34.3 | 0 | 0 | 0 | 113.6 | ||
| 368 | A | 41.6 | Very low | 39.8 | Very low | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -77.4 | -13.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L366 A645 | L366-A368 PolarHBondContact O-N 3.08Å; A368-A645 HydrophobicContact CB-CB 3.3Å |
| 369 | L | 46.2 | Very low | 39.6 | Very low | 41 Ų | 41 | 107.5 Ų | 107.5 | 22% | 0.215 | 55% | 0.553 | C | S | . | * | G | 310 helix | trans | -83.9 | -5 | -180 | -82.3 | 171.1 | 0 | 0 | 0 | 113.8 | P365 L366 N371 A645 | P365-L369 HydrophobicContact CB-CB 3.9Å; P365-L369 HydrophobicContact CB-CD1 4.47Å; L366-L369 HydrophobicContact CB-CB 4.47Å; L366-L369 HydrophobicContact CB-CD1 3.98Å; L366-L369 HydrophobicContact CB-CG 4.2Å; L366-L369 HydrophobicContact CD1-CD1 4.04Å; L366-L369 HydrophobicContact CG-CD1 4.18Å; L366-L369 WeakPolarHBondContact O-CB 3.35Å; L366-L369 PolarHBondContact O-N 3.17Å; L369-N371 PolarHBondContact O-N 3.41Å; L369-A645 HydrophobicContact CD2-CB 4.15Å; L369-A645 HydrophobicContact CG-CB 3.9Å |
| 370 | K | 40.7 | Very low | 39.4 | Very low | 157 Ų | 157 | 109.8 Ų | 109.8 | 68% | 0.683 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -63.3 | -19.2 | -179.8 | -99.5 | -178.9 | 174.5 | -179.9 | 0 | 114.4 | ||
| 371 | N | 36.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 67% | 0.674 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -91.8 | -5.1 | -170.4 | -77.4 | -3.3 | 0 | 0 | 0 | 116.4 | L369 | L369-N371 PolarHBondContact O-N 3.41Š|
| 372 | K | 41.6 | Very low | 38.3 | Very low | 106 Ų | 106 | 120 Ų | 120 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -91 | -9.3 | -173.6 | -106.8 | 176 | 175.5 | 172.4 | 0 | 116.6 | S646 R647 | K372-S646 WeakPolarHBondContact CE-O 3.15Å; K372-S646 PolarHBondContact NZ-O 3Å; K372-S646 VanDerWaalsContact NZ-O 3.1Å; K372-R647 PolarHBondContact NZ-O 3.21Å |
| 373 | H | 38.4 | Very low | 37.6 | Very low | 186 Ų | 186 | 120.4 Ų | 120.4 | 86% | 0.861 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -100.1 | 10.1 | -174.7 | -87.6 | -66.7 | 0 | 0 | 0 | 116.4 | ||
| 374 | R | 32.6 | Very low | 37 | Very low | 236 Ų | 236 | 124.8 Ų | 124.8 | 89% | 0.891 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -123.2 | -8.6 | 179.3 | -96.6 | -176.1 | 167 | -173.1 | -3.9 | 118.1 | ||
| 375 | N | 29.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | trans | -118.8 | 80.4 | -179.5 | -70.6 | -12.2 | 0 | 0 | 0 | 111.1 | ||||
| 376 | N | 30.6 | Very low | 35.8 | Very low | 160 Ų | 160 | 130 Ų | 130 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | trans | -157.3 | 85.8 | 162 | -95.9 | -21.6 | 0 | 0 | 0 | 109.3 | ||||
| 377 | S | 31.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -152.7 | 137.2 | 149.3 | -75.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 378 | P | 31.2 | Very low | 35 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -100.1 | 148.8 | -157.5 | 7.4 | 14.9 | 0 | 0 | 0 | 113.4 | ||||
| 379 | I | 28.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | 65.1 | 122.7 | 135.8 | -57.1 | 164.4 | 0 | 0 | 0 | 117.4 | ||||
| 380 | V | 32.3 | Very low | 33.7 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | 169 | 105.9 | 115.8 | 168.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 381 | D | 30.5 | Very low | 33.3 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 161.8 | 154.6 | -84.7 | -39.3 | 0 | 0 | 0 | 110.2 | ||||
| 382 | P | 36.9 | Very low | 33 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | -161.9 | 160.6 | 57.8 | 42.8 | -19.2 | 0 | 0 | 0 | 120.7 | |||||
| 383 | A | 33.2 | Very low | 32.6 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | 70.7 | 140.6 | 126 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 384 | D | 35.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 79.5 | 106.2 | 148.7 | -51.2 | -29.1 | 0 | 0 | 0 | 119.9 | ||||
| 385 | E | 36.3 | Very low | 32.1 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | -170.5 | 137.6 | 103.4 | -97 | -170.4 | 179.8 | 0 | 0 | 112.9 | |||||
| 386 | E | 31.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 150.3 | -179.3 | -55 | 176.2 | 144.8 | 0 | 0 | 111.7 | ||||
| 387 | H | 36 | Very low | 32.1 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 160.8 | 118.7 | 122.3 | -85.8 | -1.8 | 0 | 0 | 0 | 114.4 | |||||
| 388 | H | 33 | Very low | 32.1 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | trans | 60.7 | 112.3 | 130.9 | -81.8 | -12.9 | 0 | 0 | 0 | 124 | ||||
| 389 | T | 30.7 | Very low | 31.9 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | 76 | 109.2 | 121.5 | 59.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 390 | S | 30 | Very low | 32.1 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 75 | 133.1 | 114 | -126.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 391 | E | 33.3 | Very low | 31.9 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 114.4 | 97.1 | 148.9 | -64.7 | -173.5 | 156.1 | 0 | 0 | 118.7 | ||||
| 392 | L | 30.2 | Very low | 31.8 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 11.2 | 125.2 | 137.4 | -68.1 | 150.2 | 0 | 0 | 0 | 119 | ||||
| 393 | Q | 32 | Very low | 31.5 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | -178.1 | 132.4 | 118.4 | -98.6 | 168.4 | 5.9 | 0 | 0 | 111.9 | |||||
| 394 | V | 27.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -95.6 | 177.9 | 164.4 | -132.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 395 | P | 33.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 157.1 Ų | 157.1 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -143.6 | -173.8 | -12.1 | 29.2 | -3.2 | 0 | 0 | 0 | 116 | ||||
| 396 | V | 30.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | trans | 87.3 | 130.2 | 146.1 | -109.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 397 | H | 30.3 | Very low | 31 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 70.4 | 116.4 | 148.6 | -68.9 | -63.8 | 0 | 0 | 0 | 121.2 | ||||
| 398 | H | 31.6 | Very low | 30.9 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -170.8 | 135.8 | 101.8 | -140.1 | -63.3 | 0 | 0 | 0 | 112.8 | |||||
| 399 | E | 26.1 | Very low | 30.7 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -62.9 | 147.6 | 170.4 | -64.8 | 160.9 | 112.8 | 0 | 0 | 113.2 | ||||
| 400 | Q | 33.3 | Very low | 31 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | -168.6 | 139.1 | 127.4 | -103.9 | 165.3 | 21.1 | 0 | 0 | 113.2 | |||||
| 401 | S | 28.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 159.9 Ų | 159.9 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | trans | -80.3 | 151.4 | -168.8 | 39.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 402 | F | 28.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 155 Ų | 155 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | 156.5 | 142.5 | 113.9 | -97.9 | -81.5 | 0 | 0 | 0 | 114.1 | |||||
| 403 | E | 31 | Very low | 32.6 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 95.9 | 97.7 | 150.4 | -73.4 | 174.1 | -165.7 | 0 | 0 | 122.1 | ||||
| 404 | N | 29.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | 49.1 | 107.4 | 126.6 | -72.5 | -16.1 | 0 | 0 | 0 | 120.2 | |||||
| 405 | Y | 32.3 | Very low | 34.5 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -150.1 | 127.5 | 137.4 | -94.3 | -78.9 | 0 | 0 | 0 | 111.7 | ||||
| 406 | N | 28.4 | Very low | 35.2 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -51.2 | 137.2 | 163.7 | -82 | -34.5 | 0 | 0 | 0 | 111.3 | ||||
| 407 | H | 35 | Very low | 36.3 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -156.7 | 135 | 148.3 | -100.2 | -62.4 | 0 | 0 | 0 | 113.1 | ||||
| 408 | S | 34.6 | Very low | 37.3 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -48.1 | 152.8 | 180 | -63.2 | 0 | 0 | 0 | 0 | 116.4 | H410 | S408-H410 PolarHBondContact O-N 2.95Å; S408-H410 VanDerWaalsContact O-N 3.15Å | ||
| 409 | E | 29.3 | Very low | 38.8 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 95% | 0.949 | 69% | 0.685 | S | S | * | * | trans | -43.8 | 111.6 | 161.9 | -65.6 | 177.5 | 146.6 | 0 | 0 | 111.5 | ||||
| 410 | H | 35.6 | Very low | 40.5 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | trans | -117.9 | 112.4 | 169.6 | -152.3 | -47.9 | 0 | 0 | 0 | 108.5 | S408 | S408-H410 PolarHBondContact O-N 2.95Å; S408-H410 VanDerWaalsContact O-N 3.15Å | ||
| 411 | I | 41.4 | Very low | 41.9 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.8 | 171.4 | -61.1 | 168 | 0 | 0 | 0 | 107.9 | ||
| 412 | P | 39.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 149.7 | 178.2 | -13.1 | 27.2 | 0 | 0 | 0 | 111.4 | A416 | P412-A416 HydrophobicContact CB-CB 3.93Š|
| 413 | P | 46.3 | Very low | 45.7 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.3 | 172.2 | -16.8 | 29.6 | 0 | 0 | 0 | 111.9 | D415 A416 | P413-D415 PolarHBondContact O-N 2.92Å; P413-D415 VanDerWaalsContact O-N 3.08Å; P413-A416 WeakPolarHBondContact O-CB 3.46Å; P413-A416 PolarHBondContact O-N 2.9Å |
| 414 | L | 47.9 | Very low | 47.4 | Very low | 132 Ų | 132 | 121 Ų | 121 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -50.4 | -33.8 | 179.8 | -95.2 | 126.5 | 0 | 0 | 0 | 114.2 | A416 V417 E418 | L414-A416 PolarHBondContact O-N 3.22Å; L414-V417 PolarHBondContact O-N 3.39Å; L414-V417 VanDerWaalsContact O-N 3.13Å; L414-E418 PolarHBondContact O-N 3.43Å |
| 415 | D | 51.5 | Low | 49 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.4 | -28.5 | 177.3 | -65.5 | -19.2 | 0 | 0 | 0 | 113.1 | P413 A419 | P413-D415 PolarHBondContact O-N 2.92Å; P413-D415 VanDerWaalsContact O-N 3.08Å; D415-A419 WeakPolarHBondContact O-CB 3.44Å; D415-A419 PolarHBondContact O-N 3.42Å; D415-A419 VanDerWaalsContact O-N 3.08Å |
| 416 | A | 48.4 | Very low | 50.9 | Low | 35 Ų | 35 | 110.2 Ų | 110.2 | 29% | 0.289 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75 | -32.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P412 P413 L414 A419 I420 | P412-A416 HydrophobicContact CB-CB 3.93Å; P413-A416 WeakPolarHBondContact O-CB 3.46Å; P413-A416 PolarHBondContact O-N 2.9Å; L414-A416 PolarHBondContact O-N 3.22Å; A416-A419 PolarHBondContact O-N 3.31Å; A416-I420 WeakPolarHBondContact O-CB 3.27Å; A416-I420 WeakPolarHBondContact O-CD1 3.33Å; A416-I420 WeakPolarHBondContact O-CG1 3.26Å; A416-I420 PolarHBondContact O-N 2.99Å |
| 417 | V | 53.4 | Low | 52.8 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.4 | -40.1 | 176.2 | -177 | 0 | 0 | 0 | 0 | 110.5 | L414 I420 Q421 | L414-V417 PolarHBondContact O-N 3.39Å; L414-V417 VanDerWaalsContact O-N 3.13Å; V417-I420 PolarHBondContact O-N 2.92Å; V417-Q421 PolarHBondContact O-N 2.94Å |
| 418 | E | 52 | Low | 54.2 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 173.2 | -72 | -174.7 | 178.2 | 0 | 0 | 112.9 | L414 R422 | L414-E418 PolarHBondContact O-N 3.43Å; E418-R422 WeakPolarHBondContact O-CB 3.35Å; E418-R422 PolarHBondContact O-N 3.27Å |
| 419 | A | 62.5 | Low | 55.6 | Low | 33 Ų | 33 | 104.2 Ų | 104.2 | 27% | 0.273 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D415 A416 Q421 R422 D423 | D415-A419 WeakPolarHBondContact O-CB 3.44Å; D415-A419 PolarHBondContact O-N 3.42Å; D415-A419 VanDerWaalsContact O-N 3.08Å; A416-A419 PolarHBondContact O-N 3.31Å; A419-Q421 VanDerWaalsContact C-N 3.34Å; A419-Q421 PolarHBondContact O-N 2.89Å; A419-R422 PolarHBondContact O-N 3Å; A419-D423 VanDerWaalsContact O-CG 3.25Å; A419-D423 PolarHBondContact O-N 2.99Å |
| 420 | I | 62.7 | Low | 57.6 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.7 | -69 | 161.8 | 0 | 0 | 0 | 111.1 | A416 V417 D423 I424 | A416-I420 WeakPolarHBondContact O-CB 3.27Å; A416-I420 WeakPolarHBondContact O-CD1 3.33Å; A416-I420 WeakPolarHBondContact O-CG1 3.26Å; A416-I420 PolarHBondContact O-N 2.99Å; V417-I420 PolarHBondContact O-N 2.92Å; I420-D423 PolarHBondContact O-N 3.37Å; I420-I424 HydrophobicContact CG2-CD1 3.87Å; I420-I424 HydrophobicContact CG2-CG1 4.45Å; I420-I424 VanDerWaalsContact O-CG1 3.27Å; I420-I424 WeakPolarHBondContact O-CG1 3.5Å; I420-I424 PolarHBondContact O-N 2.78Å |
| 421 | Q | 63 | Low | 59 | Low | 98 Ų | 98 | 94.6 Ų | 94.6 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 177.5 | -170.9 | 61.1 | 54.5 | 0 | 0 | 111.8 | V417 A419 D423 I424 D425 | V417-Q421 PolarHBondContact O-N 2.94Å; A419-Q421 VanDerWaalsContact C-N 3.34Å; A419-Q421 PolarHBondContact O-N 2.89Å; Q421-D423 VanDerWaalsContact C-N 3.33Å; Q421-D423 PolarHBondContact O-N 2.89Å; Q421-I424 PolarHBondContact O-N 2.96Å; Q421-D425 PolarHBondContact NE2-OD1 3.34Å; Q421-D425 WeakPolarHBondContact O-CB 3.44Å; Q421-D425 VanDerWaalsContact O-CG 3.25Å; Q421-D425 PolarHBondContact O-N 2.88Å |
| 422 | R | 66.5 | Low | 60.1 | Low | 147 Ų | 147 | 91.3 Ų | 91.3 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 172.6 | -88.6 | -175.5 | -91.2 | 130.2 | -6.7 | 112.1 | E418 A419 D425 T426 | E418-R422 WeakPolarHBondContact O-CB 3.35Å; E418-R422 PolarHBondContact O-N 3.27Å; A419-R422 PolarHBondContact O-N 3Å; R422-D425 PolarHBondContact O-N 3.1Å; R422-T426 WeakPolarHBondContact O-CB 3.4Å; R422-T426 PolarHBondContact O-N 2.94Å; R422-T426 PolarHBondContact O-OG1 3.05Å |
| 423 | D | 68.9 | Low | 61.3 | Low | 108 Ų | 108 | 92.9 Ų | 92.9 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 178 | -68.4 | -15.8 | 0 | 0 | 0 | 111.3 | A419 I420 Q421 T426 Y427 | A419-D423 VanDerWaalsContact O-CG 3.25Å; A419-D423 PolarHBondContact O-N 2.99Å; I420-D423 PolarHBondContact O-N 3.37Å; Q421-D423 VanDerWaalsContact C-N 3.33Å; Q421-D423 PolarHBondContact O-N 2.89Å; D423-T426 PolarHBondContact O-N 3.18Å; D423-Y427 VanDerWaalsContact O-CB 3.25Å; D423-Y427 WeakPolarHBondContact O-CB 3.39Å; D423-Y427 PolarHBondContact O-N 3.47Å |
| 424 | I | 67 | Low | 62.5 | Low | 74 Ų | 74 | 94.8 Ų | 94.8 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 173.2 | -69.1 | 165.6 | 0 | 0 | 0 | 110.6 | I420 Q421 T426 Y427 E428 | I420-I424 HydrophobicContact CG2-CD1 3.87Å; I420-I424 HydrophobicContact CG2-CG1 4.45Å; I420-I424 VanDerWaalsContact O-CG1 3.27Å; I420-I424 WeakPolarHBondContact O-CG1 3.5Å; I420-I424 PolarHBondContact O-N 2.78Å; Q421-I424 PolarHBondContact O-N 2.96Å; I424-T426 VanDerWaalsContact C-N 3.31Å; I424-T426 PolarHBondContact O-N 3.46Å; I424-Y427 PolarHBondContact O-N 3.47Å; I424-E428 WeakPolarHBondContact O-CG 3.43Å; I424-E428 PolarHBondContact O-N 3.44Å |
| 425 | D | 63.9 | Low | 63.2 | Low | 76 Ų | 76 | 94.9 Ų | 94.9 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | -179.5 | -68.4 | -11.3 | 0 | 0 | 0 | 111.2 | Q421 R422 D429 | Q421-D425 PolarHBondContact NE2-OD1 3.34Å; Q421-D425 WeakPolarHBondContact O-CB 3.44Å; Q421-D425 VanDerWaalsContact O-CG 3.25Å; Q421-D425 PolarHBondContact O-N 2.88Å; R422-D425 PolarHBondContact O-N 3.1Å; D425-D429 WeakPolarHBondContact O-CB 3.4Å; D425-D429 PolarHBondContact O-N 3.46Å |
| 426 | T | 70.7 | Confident | 63.5 | Low | 73 Ų | 73 | 93.5 Ų | 93.5 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.4 | -51 | 0 | 0 | 0 | 0 | 111.2 | R422 D423 I424 D429 E430 | R422-T426 WeakPolarHBondContact O-CB 3.4Å; R422-T426 PolarHBondContact O-N 2.94Å; R422-T426 PolarHBondContact O-OG1 3.05Å; D423-T426 PolarHBondContact O-N 3.18Å; I424-T426 VanDerWaalsContact C-N 3.31Å; I424-T426 PolarHBondContact O-N 3.46Å; T426-D429 PolarHBondContact O-N 2.89Å; T426-E430 WeakPolarHBondContact O-CB 3.5Å; T426-E430 WeakPolarHBondContact O-CG 3.32Å; T426-E430 PolarHBondContact O-N 2.74Å |
| 427 | Y | 69 | Low | 64.5 | Low | 136 Ų | 136 | 97.7 Ų | 97.7 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 176.5 | -177.9 | -94.5 | 0 | 0 | 0 | 112.2 | D423 I424 E430 Q431 | D423-Y427 VanDerWaalsContact O-CB 3.25Å; D423-Y427 WeakPolarHBondContact O-CB 3.39Å; D423-Y427 PolarHBondContact O-N 3.47Å; I424-Y427 PolarHBondContact O-N 3.47Å; Y427-E430 PolarHBondContact O-N 3.1Å; Y427-Q431 HydrophobicContact CD1-CG 4.3Å; Y427-Q431 VanDerWaalsContact CE1-CD 3.45Å; Y427-Q431 HydrophobicContact CE1-CG 3.79Å; Y427-Q431 WeakPolarHBondContact O-CB 3.38Å; Y427-Q431 PolarHBondContact O-N 2.6Å; Y427-Q431 PolarHBondContact OH-NE2 3.07Å; Y427-Q431 VanDerWaalsContact OH-NE2 3.1Å |
| 428 | E | 64.8 | Low | 64.9 | Low | 100 Ų | 100 | 99.6 Ų | 99.6 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 173.8 | -73.9 | -169.3 | 167.1 | 0 | 0 | 111.7 | I424 Q431 T432 | I424-E428 WeakPolarHBondContact O-CG 3.43Å; I424-E428 PolarHBondContact O-N 3.44Å; E428-Q431 PolarHBondContact O-N 2.94Å; E428-T432 WeakPolarHBondContact O-CB 3.34Å; E428-T432 PolarHBondContact O-N 3.28Å; E428-T432 PolarHBondContact O-OG1 3.32Å |
| 429 | D | 63.9 | Low | 65.1 | Low | 86 Ų | 86 | 96 Ų | 96 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.6 | -87.2 | -1.6 | 0 | 0 | 0 | 111.5 | D425 T426 T432 M433 | D425-D429 WeakPolarHBondContact O-CB 3.4Å; D425-D429 PolarHBondContact O-N 3.46Å; T426-D429 PolarHBondContact O-N 2.89Å; D429-T432 PolarHBondContact O-N 3.27Å; D429-M433 WeakPolarHBondContact O-CG 3.49Å; D429-M433 PolarHBondContact O-N 2.71Å |
| 430 | E | 69.8 | Low | 64.8 | Low | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 176 | -78.4 | -172.7 | 176.4 | 0 | 0 | 112.7 | T426 Y427 T432 M433 K434 | T426-E430 WeakPolarHBondContact O-CB 3.5Å; T426-E430 WeakPolarHBondContact O-CG 3.32Å; T426-E430 PolarHBondContact O-N 2.74Å; Y427-E430 PolarHBondContact O-N 3.1Å; E430-T432 VanDerWaalsContact C-N 3.34Å; E430-M433 PolarHBondContact O-N 2.92Å; E430-K434 PolarHBondContact O-N 3.01Å |
| 431 | Q | 66.4 | Low | 64.5 | Low | 66 Ų | 66 | 97.9 Ų | 97.9 | 31% | 0.308 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.5 | -85.6 | -161.2 | -26.4 | 0 | 0 | 111.4 | E107 Y427 E428 M433 K434 Y435 | E107-Q431 PolarHBondContact OE1-NE2 3.47Å; E107-Q431 PolarHBondContact OE1-OE1 3.15Å; Y427-Q431 HydrophobicContact CD1-CG 4.3Å; Y427-Q431 VanDerWaalsContact CE1-CD 3.45Å; Y427-Q431 HydrophobicContact CE1-CG 3.79Å; Y427-Q431 WeakPolarHBondContact O-CB 3.38Å; Y427-Q431 PolarHBondContact O-N 2.6Å; Y427-Q431 PolarHBondContact OH-NE2 3.07Å; Y427-Q431 VanDerWaalsContact OH-NE2 3.1Å; E428-Q431 PolarHBondContact O-N 2.94Å; Q431-M433 VanDerWaalsContact C-N 3.34Å; Q431-M433 PolarHBondContact O-N 3.43Å; Q431-K434 PolarHBondContact O-N 3Å; Q431-Y435 WeakPolarHBondContact O-CB 3.32Å; Q431-Y435 PolarHBondContact O-N 3.36Å |
| 432 | T | 65.1 | Low | 64.1 | Low | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 178 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | E428 D429 E430 Y435 L436 | E428-T432 WeakPolarHBondContact O-CB 3.34Å; E428-T432 PolarHBondContact O-N 3.28Å; E428-T432 PolarHBondContact O-OG1 3.32Å; D429-T432 PolarHBondContact O-N 3.27Å; E430-T432 VanDerWaalsContact C-N 3.34Å; T432-Y435 PolarHBondContact O-N 3.12Å; T432-L436 HydrophobicContact CG2-CD1 4.34Å; T432-L436 VanDerWaalsContact O-CG 3.32Å; T432-L436 WeakPolarHBondContact O-CG 3.24Å; T432-L436 PolarHBondContact O-N 2.83Å |
| 433 | M | 64.2 | Low | 63.5 | Low | 108 Ų | 108 | 100.6 Ų | 100.6 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 175.1 | -75.5 | -60.1 | -60.8 | 0 | 0 | 112.5 | D429 E430 Q431 Y435 L436 E437 | D429-M433 WeakPolarHBondContact O-CG 3.49Å; D429-M433 PolarHBondContact O-N 2.71Å; E430-M433 PolarHBondContact O-N 2.92Å; Q431-M433 VanDerWaalsContact C-N 3.34Å; Q431-M433 PolarHBondContact O-N 3.43Å; M433-Y435 VanDerWaalsContact C-N 3.32Å; M433-Y435 PolarHBondContact O-N 3.27Å; M433-L436 PolarHBondContact O-N 3.15Å; M433-E437 PolarHBondContact O-N 3.22Å |
| 434 | K | 70.7 | Confident | 62.6 | Low | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 174.6 | -83.8 | -178.8 | 178.6 | 169.7 | 0 | 111.8 | E430 Q431 L436 E437 Q438 | E430-K434 PolarHBondContact O-N 3.01Å; Q431-K434 PolarHBondContact O-N 3Å; K434-L436 VanDerWaalsContact C-N 3.3Å; K434-L436 PolarHBondContact O-N 3.4Å; K434-E437 PolarHBondContact O-N 2.87Å; K434-Q438 VanDerWaalsContact O-CB 3.29Å; K434-Q438 WeakPolarHBondContact O-CB 3.46Å; K434-Q438 PolarHBondContact O-N 3.1Å |
| 435 | Y | 63.3 | Low | 61.9 | Low | 135 Ų | 135 | 105.2 Ų | 105.2 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 178.1 | -166.9 | -88.2 | 0 | 0 | 0 | 111.8 | Q104 Q431 T432 M433 A439 | Q104-Y435 PolarHBondContact NE2-OH 3.39Å; Q431-Y435 WeakPolarHBondContact O-CB 3.32Å; Q431-Y435 PolarHBondContact O-N 3.36Å; T432-Y435 PolarHBondContact O-N 3.12Å; M433-Y435 VanDerWaalsContact C-N 3.32Å; M433-Y435 PolarHBondContact O-N 3.27Å; Y435-A439 VanDerWaalsContact O-CB 3.25Å; Y435-A439 WeakPolarHBondContact O-CB 3.39Å; Y435-A439 PolarHBondContact O-N 2.94Å |
| 436 | L | 57.7 | Low | 61 | Low | 78 Ų | 78 | 109 Ų | 109 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72 | -38.6 | 175.9 | -70.4 | 169.7 | 0 | 0 | 0 | 112.9 | T432 M433 K434 A439 A440 | T432-L436 HydrophobicContact CG2-CD1 4.34Å; T432-L436 VanDerWaalsContact O-CG 3.32Å; T432-L436 WeakPolarHBondContact O-CG 3.24Å; T432-L436 PolarHBondContact O-N 2.83Å; M433-L436 PolarHBondContact O-N 3.15Å; K434-L436 VanDerWaalsContact C-N 3.3Å; K434-L436 PolarHBondContact O-N 3.4Å; L436-A439 PolarHBondContact O-N 3.25Å; L436-A440 WeakPolarHBondContact O-CB 3.37Å; L436-A440 PolarHBondContact O-N 3.12Å |
| 437 | E | 68.9 | Low | 59.3 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 172.8 | -77 | -178.3 | 167 | 0 | 0 | 111.4 | M433 K434 A440 H441 | M433-E437 PolarHBondContact O-N 3.22Å; K434-E437 PolarHBondContact O-N 2.87Å; E437-A440 PolarHBondContact O-N 2.81Å; E437-H441 WeakPolarHBondContact O-CB 3.43Å; E437-H441 PolarHBondContact O-N 3.41Å |
| 438 | Q | 61.2 | Low | 57.8 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.4 | -45.3 | 175.6 | -151.4 | 110 | 20.4 | 0 | 0 | 110.7 | K434 A440 H441 D442 | K434-Q438 VanDerWaalsContact O-CB 3.29Å; K434-Q438 WeakPolarHBondContact O-CB 3.46Å; K434-Q438 PolarHBondContact O-N 3.1Å; Q438-A440 VanDerWaalsContact C-N 3.27Å; Q438-A440 PolarHBondContact O-N 2.97Å; Q438-H441 PolarHBondContact O-N 3.23Å; Q438-H441 VanDerWaalsContact O-N 3.15Å; Q438-D442 WeakPolarHBondContact O-CB 3.23Å; Q438-D442 VanDerWaalsContact O-CG 3.25Å; Q438-D442 PolarHBondContact O-N 3.03Å |
| 439 | A | 57.5 | Low | 56.3 | Low | 33 Ų | 33 | 117.1 Ų | 117.1 | 27% | 0.273 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -28 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y435 L436 R443 | Y435-A439 VanDerWaalsContact O-CB 3.25Å; Y435-A439 WeakPolarHBondContact O-CB 3.39Å; Y435-A439 PolarHBondContact O-N 2.94Å; L436-A439 PolarHBondContact O-N 3.25Å; A439-R443 WeakPolarHBondContact O-CD 3.48Å; A439-R443 VanDerWaalsContact O-CG 3.22Å; A439-R443 WeakPolarHBondContact O-CG 3.36Å |
| 440 | A | 54.9 | Low | 54.8 | Low | 54 Ų | 54 | 120.9 Ų | 120.9 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76.7 | -37.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | L436 E437 Q438 M444 | L436-A440 WeakPolarHBondContact O-CB 3.37Å; L436-A440 PolarHBondContact O-N 3.12Å; E437-A440 PolarHBondContact O-N 2.81Å; Q438-A440 VanDerWaalsContact C-N 3.27Å; Q438-A440 PolarHBondContact O-N 2.97Å; A440-M444 PolarHBondContact O-N 2.8Å |
| 441 | H | 57.9 | Low | 52.9 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 51% | 0.514 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.6 | -43.3 | 179 | -160 | 71.8 | 0 | 0 | 0 | 112.3 | E437 Q438 R443 M444 L445 | E437-H441 WeakPolarHBondContact O-CB 3.43Å; E437-H441 PolarHBondContact O-N 3.41Å; Q438-H441 PolarHBondContact O-N 3.23Å; Q438-H441 VanDerWaalsContact O-N 3.15Å; H441-R443 PolarHBondContact O-N 3.06Å; H441-M444 WeakPolarHBondContact O-CA 3.37Å; H441-M444 PolarHBondContact O-N 3.49Å; H441-L445 VanDerWaalsContact CD2-CD1 3.44Å; H441-L445 WeakPolarHBondContact CD2-CD1 3.16Å; H441-L445 WeakPolarHBondContact NE2-CD1 3.36Å; H441-L445 PolarHBondContact O-N 3.28Å |
| 442 | D | 54.1 | Low | 51.2 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.4 | -32 | 176.4 | -69.2 | -15.4 | 0 | 0 | 0 | 111.2 | Q438 M444 | Q438-D442 WeakPolarHBondContact O-CB 3.23Å; Q438-D442 VanDerWaalsContact O-CG 3.25Å; Q438-D442 PolarHBondContact O-N 3.03Å; D442-M444 VanDerWaalsContact C-N 3.3Å; D442-M444 PolarHBondContact O-N 2.99Å |
| 443 | R | 53.1 | Low | 49.5 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.8 | -17.2 | 172.3 | -73.7 | 177.3 | -172.1 | -173.9 | 4.1 | 114.3 | A439 H441 | A439-R443 WeakPolarHBondContact O-CD 3.48Å; A439-R443 VanDerWaalsContact O-CG 3.22Å; A439-R443 WeakPolarHBondContact O-CG 3.36Å; H441-R443 PolarHBondContact O-N 3.06Å |
| 444 | M | 49.6 | Very low | 47.8 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 79% | 0.793 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -94.9 | -20.2 | 177.9 | -74.6 | -169.2 | 75.1 | 0 | 0 | 113.6 | A440 H441 D442 | A440-M444 PolarHBondContact O-N 2.8Å; H441-M444 WeakPolarHBondContact O-CA 3.37Å; H441-M444 PolarHBondContact O-N 3.49Å; D442-M444 VanDerWaalsContact C-N 3.3Å; D442-M444 PolarHBondContact O-N 2.99Å |
| 445 | L | 54 | Low | 46.1 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -92.1 | -23.9 | -176.5 | -76.1 | 170.1 | 0 | 0 | 0 | 114.8 | H441 G447 | H441-L445 VanDerWaalsContact CD2-CD1 3.44Å; H441-L445 WeakPolarHBondContact CD2-CD1 3.16Å; H441-L445 WeakPolarHBondContact NE2-CD1 3.36Å; H441-L445 PolarHBondContact O-N 3.28Å; L445-G447 PolarHBondContact O-N 3.42Å; L445-G447 VanDerWaalsContact O-N 3.1Å |
| 446 | D | 43.2 | Very low | 44.9 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | -84.2 | 28.5 | 179.8 | -80.9 | -16.3 | 0 | 0 | 0 | 114.7 | R448 | D446-R448 PolarHBondContact O-N 3.01Š| ||
| 447 | G | 35.1 | Very low | 44.9 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -98.7 | 42.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L445 | L445-G447 PolarHBondContact O-N 3.42Å; L445-G447 VanDerWaalsContact O-N 3.1Å | ||
| 448 | R | 39.1 | Very low | 45 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 88% | 0.879 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -141.6 | 123.1 | 161.9 | -76.2 | -169.7 | -179.2 | 179.9 | 1.4 | 109.4 | D446 | D446-R448 PolarHBondContact O-N 3.01Š|
| 449 | E | 33.2 | Very low | 45.9 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 81.9 | 67.7 | 173.6 | -49.4 | -177.4 | -179.6 | 0 | 0 | 116.2 | ||
| 450 | N | 31.2 | Very low | 47.1 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | trans | -177.1 | 77.5 | 135.6 | -90.9 | -33.2 | 0 | 0 | 0 | 110.8 | Q452 | N450-Q452 VanDerWaalsContact C-N 3.27Å; N450-Q452 PolarHBondContact O-N 3.27Å | ||
| 451 | F | 30 | Very low | 48.4 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | -80.7 | 55.3 | -178.9 | -119.4 | -88.9 | 0 | 0 | 0 | 112 | ||||
| 452 | Q | 30.7 | Very low | 49.8 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -162.7 | 35.3 | 173 | -146.3 | 89.2 | 33.6 | 0 | 0 | 116.6 | N450 | N450-Q452 VanDerWaalsContact C-N 3.27Å; N450-Q452 PolarHBondContact O-N 3.27Å |
| 453 | H | 30.4 | Very low | 51.3 | Low | 175 Ų | 175 | 133.5 Ų | 133.5 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | trans | -164.5 | 18.4 | 161.2 | -125 | -71.3 | 0 | 0 | 0 | 119.6 | I455 | H453-I455 PolarHBondContact O-N 2.71Š| ||
| 454 | C | 28.1 | Very low | 53 | Low | 132 Ų | 132 | 127.3 Ų | 127.3 | 89% | 0.892 | 66% | 0.662 | S | S | * | * | trans | -87.2 | 100 | 168 | -82.4 | 0 | 0 | 0 | 0 | 109.9 | L456 | C454-L456 PolarHBondContact O-N 3.02Å; C454-L456 VanDerWaalsContact O-N 3.14Å | ||
| 455 | I | 34.1 | Very low | 54.9 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 65% | 0.651 | 65% | 0.649 | S | S | * | * | trans | -59.8 | 118.9 | 165.1 | -66.2 | 174.5 | 0 | 0 | 0 | 106.2 | H453 D457 | H453-I455 PolarHBondContact O-N 2.71Å; I455-D457 PolarHBondContact O-N 3.44Å | ||
| 456 | L | 39 | Very low | 56.6 | Low | 150 Ų | 150 | 120.2 Ų | 120.2 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -53.7 | 94.7 | 160.6 | -68.7 | 161.7 | 0 | 0 | 0 | 106.4 | C454 L458 | C454-L456 PolarHBondContact O-N 3.02Å; C454-L456 VanDerWaalsContact O-N 3.14Å; L456-L458 HydrophobicContact CB-CD1 3.85Å; L456-L458 WeakPolarHBondContact O-CD1 3.36Å; L456-L458 PolarHBondContact O-N 3.04Å | ||
| 457 | D | 57.2 | Low | 58.9 | Low | 121 Ų | 121 | 117.9 Ų | 117.9 | 65% | 0.647 | 61% | 0.61 | S | S | * | * | trans | -68.1 | 82.6 | 176.2 | -81 | -23.1 | 0 | 0 | 0 | 107.7 | I455 F492 | I455-D457 PolarHBondContact O-N 3.44Å; D457-F492 HydrophobicContact CB-CE2 4.39Å; D457-F492 HydrophobicContact CB-CZ 3.95Å; D457-F492 WeakPolarHBondContact O-CZ 3.42Å | ||
| 458 | L | 72.2 | Confident | 61.5 | Low | 134 Ų | 134 | 123.5 Ų | 123.5 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143.1 | 162.9 | -83.3 | 89.1 | 0 | 0 | 0 | 107.8 | L456 E460 | L456-L458 HydrophobicContact CB-CD1 3.85Å; L456-L458 WeakPolarHBondContact O-CD1 3.36Å; L456-L458 PolarHBondContact O-N 3.04Å; L458-E460 PolarHBondContact O-N 3.08Å |
| 459 | P | 79.6 | Confident | 64 | Low | 27 Ų | 27 | 118.3 Ų | 118.3 | 18% | 0.175 | 60% | 0.597 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 140.9 | 173.2 | 28.6 | -36 | 0 | 0 | 0 | 109.3 | T483 K484 F492 | P459-T483 HydrophobicContact CB-CG2 4.08Å; P459-T483 HydrophobicContact CG-CG2 3.88Å; P459-K484 HydrophobicContact CB-CG 4.47Å; P459-K484 HydrophobicContact CG-CG 3.92Å; P459-F492 HydrophobicContact CB-CD2 4.24Å; P459-F492 HydrophobicContact CB-CG 4.37Å |
| 460 | E | 83.3 | Confident | 66.8 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 30% | 0.304 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 146.7 | 178.4 | 65.2 | -86.4 | -158.3 | 0 | 0 | 111.4 | L458 M462 T483 K488 | L458-E460 PolarHBondContact O-N 3.08Å; E460-M462 PolarHBondContact O-N 3.06Å; E460-T483 VanDerWaalsContact O-CG2 3.29Å; E460-T483 WeakPolarHBondContact O-CG2 3.42Å; E460-K488 WeakPolarHBondContact OE1-CA 3.5Å; E460-K488 WeakPolarHBondContact OE1-CB 3.43Å; E460-K488 WeakPolarHBondContact OE1-CD 3.47Å; E460-K488 WeakPolarHBondContact OE1-CG 3.29Å; E460-K488 PolarHBondContact OE1-N 3.29Å |
| 461 | P | 82.2 | Confident | 69.7 | Low | 118 Ų | 118 | 103.1 Ų | 103.1 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 136.7 | 179.4 | 25.4 | -34 | 0 | 0 | 0 | 110.6 | ||
| 462 | M | 85.7 | Confident | 72.6 | Confident | 20 Ų | 20 | 98 Ų | 98 | 10% | 0.099 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.7 | 175.6 | 63.9 | 177.1 | 70.1 | 0 | 0 | 111.4 | E460 N466 R467 I474 I479 V482 T483 | E460-M462 PolarHBondContact O-N 3.06Å; M462-N466 HydrophobicContact CB-CB 4.29Å; M462-R467 HydrophobicContact CG-CB 3.9Å; M462-R467 HydrophobicContact CG-CG 4.24Å; M462-R467 WeakPolarHBondContact SD-CA 3.15Å; M462-R467 HydrophobicContact SD-CB 3.59Å; M462-R467 VanDerWaalsContact SD-CB 3.59Å; M462-R467 HydrophobicContact SD-CG 3.69Å; M462-I474 HydrophobicContact CE-CD1 4.37Å; M462-I474 HydrophobicContact SD-CD1 3.95Å; M462-I479 HydrophobicContact CE-CD1 3.62Å; M462-I479 HydrophobicContact SD-CD1 4.04Å; M462-V482 HydrophobicContact CE-CB 3.93Å; M462-V482 HydrophobicContact CE-CG1 3.53Å; M462-T483 WeakPolarHBondContact CE-OG1 3.03Å |
| 463 | S | 87.5 | Confident | 75.6 | Confident | 58 Ų | 58 | 89.7 Ų | 89.7 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 153.9 | 174.2 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | T465 N466 R467 | S463-T465 PolarHBondContact O-N 3.46Å; S463-N466 PolarHBondContact O-N 2.79Å; S463-N466 WeakPolarHBondContact OG-CB 3.21Å; S463-N466 PolarHBondContact OG-N 3.13Å; S463-N466 PolarHBondContact OG-ND2 2.54Å; S463-R467 PolarHBondContact O-N 3.31Å |
| 464 | E | 87.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -50.7 | -42.7 | 176.6 | -176.7 | 62.8 | -152.6 | 0 | 0 | 112.3 | R467 R468 | E464-R467 PolarHBondContact O-N 2.93Å; E464-R467 IonicContact OE1-CZ 3.7Å; E464-R467 IonicContact OE1-NH2 2.78Å; E464-R467 PolarHBondContact OE1-NH2 2.6Å; E464-R467 VanDerWaalsContact OE1-NH2 3.13Å; E464-R467 IonicContact OE2-CZ 3.33Å; E464-R467 IonicContact OE2-NH1 3.84Å; E464-R467 PolarHBondContact OE2-NH1 2.92Å; E464-R467 IonicContact OE2-NH2 3.79Å; E464-R467 PolarHBondContact OE2-NH2 3.24Å; E464-R468 WeakPolarHBondContact O-CG 3.28Å; E464-R468 PolarHBondContact O-N 3.03Å; E464-R468 IonicContact OE1-CZ 3.91Å; E464-R468 IonicContact OE1-NE 3.98Å; E464-R468 PolarHBondContact OE1-NE 3.12Å; E464-R468 IonicContact OE1-NH2 3.73Å; E464-R468 PolarHBondContact OE1-NH2 3.43Å; E464-R468 VanDerWaalsContact OE1-NH2 3.07Å |
| 465 | T | 89.4 | Confident | 81.7 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178.4 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | S463 R467 R468 Q469 | S463-T465 PolarHBondContact O-N 3.46Å; T465-R467 VanDerWaalsContact C-N 3.31Å; T465-R467 PolarHBondContact O-N 2.67Å; T465-R468 PolarHBondContact O-N 3.3Å; T465-Q469 WeakPolarHBondContact O-CG 3.44Å; T465-Q469 PolarHBondContact O-N 3.27Å |
| 466 | N | 90.5 | Very high | 84.5 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 178.3 | -70.7 | -12.3 | 0 | 0 | 0 | 111 | M462 S463 Q469 A470 Y486 | M462-N466 HydrophobicContact CB-CB 4.29Å; S463-N466 PolarHBondContact O-N 2.79Å; S463-N466 WeakPolarHBondContact OG-CB 3.21Å; S463-N466 PolarHBondContact OG-N 3.13Å; S463-N466 PolarHBondContact OG-ND2 2.54Å; N466-Q469 PolarHBondContact O-N 2.91Å; N466-A470 VanDerWaalsContact O-CB 3.31Å; N466-A470 WeakPolarHBondContact O-CB 3.49Å; N466-A470 PolarHBondContact O-N 3.38Å; N466-Y486 HydrophobicContact CB-CD1 3.75Å; N466-Y486 HydrophobicContact CB-CE1 3.64Å; N466-Y486 VanDerWaalsContact CG-CE1 3.5Å; N466-Y486 WeakPolarHBondContact ND2-CD1 3.42Å |
| 467 | R | 91.1 | Very high | 87 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.4 | -161.6 | 169.8 | 76.6 | -112.3 | 0.4 | 112.4 | M462 S463 E464 T465 A470 G471 I474 | M462-R467 HydrophobicContact CG-CB 3.9Å; M462-R467 HydrophobicContact CG-CG 4.24Å; M462-R467 WeakPolarHBondContact SD-CA 3.15Å; M462-R467 HydrophobicContact SD-CB 3.59Å; M462-R467 VanDerWaalsContact SD-CB 3.59Å; M462-R467 HydrophobicContact SD-CG 3.69Å; S463-R467 PolarHBondContact O-N 3.31Å; E464-R467 PolarHBondContact O-N 2.93Å; E464-R467 IonicContact OE1-CZ 3.7Å; E464-R467 IonicContact OE1-NH2 2.78Å; E464-R467 PolarHBondContact OE1-NH2 2.6Å; E464-R467 VanDerWaalsContact OE1-NH2 3.13Å; E464-R467 IonicContact OE2-CZ 3.33Å; E464-R467 IonicContact OE2-NH1 3.84Å; E464-R467 PolarHBondContact OE2-NH1 2.92Å; E464-R467 IonicContact OE2-NH2 3.79Å; E464-R467 PolarHBondContact OE2-NH2 3.24Å; T465-R467 VanDerWaalsContact C-N 3.31Å; T465-R467 PolarHBondContact O-N 2.67Å; R467-A470 PolarHBondContact O-N 2.72Å; R467-G471 PolarHBondContact O-N 3.47Å; R467-G471 VanDerWaalsContact O-N 3.16Å; R467-I474 HydrophobicContact CG-CD1 3.82Å |
| 468 | R | 90.3 | Very high | 88.6 | Confident | 186 Ų | 186 | 62.5 Ų | 62.5 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | 175.8 | -69.8 | 176.9 | -171.6 | -157.1 | 1.7 | 112.1 | E464 T465 A470 G471 | E464-R468 WeakPolarHBondContact O-CG 3.28Å; E464-R468 PolarHBondContact O-N 3.03Å; E464-R468 IonicContact OE1-CZ 3.91Å; E464-R468 IonicContact OE1-NE 3.98Å; E464-R468 PolarHBondContact OE1-NE 3.12Å; E464-R468 IonicContact OE1-NH2 3.73Å; E464-R468 PolarHBondContact OE1-NH2 3.43Å; E464-R468 VanDerWaalsContact OE1-NH2 3.07Å; T465-R468 PolarHBondContact O-N 3.3Å; R468-A470 VanDerWaalsContact C-N 3.32Å; R468-A470 PolarHBondContact O-N 3.04Å; R468-G471 PolarHBondContact O-N 3.02Å |
| 469 | Q | 90.5 | Very high | 89.6 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.2 | -36.2 | 178.2 | -73.7 | 177.6 | -4 | 0 | 0 | 112.6 | T465 N466 | T465-Q469 WeakPolarHBondContact O-CG 3.44Å; T465-Q469 PolarHBondContact O-N 3.27Å; N466-Q469 PolarHBondContact O-N 2.91Å |
| 470 | A | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 9.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N466 R467 R468 V472 A473 I474 V482 Y486 F532 | N466-A470 VanDerWaalsContact O-CB 3.31Å; N466-A470 WeakPolarHBondContact O-CB 3.49Å; N466-A470 PolarHBondContact O-N 3.38Å; R467-A470 PolarHBondContact O-N 2.72Å; R468-A470 VanDerWaalsContact C-N 3.32Å; R468-A470 PolarHBondContact O-N 3.04Å; A470-V472 PolarHBondContact O-N 3.44Å; A470-A473 CarbonylContact O-C 3.58Å; A470-A473 WeakPolarHBondContact O-CA 3.44Å; A470-A473 WeakPolarHBondContact O-CB 3.15Å; A470-A473 PolarHBondContact O-N 2.98Å; A470-I474 HydrophobicContact CB-CD1 4.14Å; A470-I474 HydrophobicContact CB-CG1 4.33Å; A470-I474 VanDerWaalsContact O-CG1 3.31Å; A470-I474 WeakPolarHBondContact O-CG1 3.28Å; A470-I474 PolarHBondContact O-N 3.38Å; A470-V482 HydrophobicContact CB-CG1 3.59Å; A470-Y486 HydrophobicContact CB-CE2 4.18Å; A470-F532 HydrophobicContact CB-CE1 3.85Å; A470-F532 HydrophobicContact CB-CZ 4.26Å |
| 471 | G | 92.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51 | -50.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R467 R468 A473 I474 D475 | R467-G471 PolarHBondContact O-N 3.47Å; R467-G471 VanDerWaalsContact O-N 3.16Å; R468-G471 PolarHBondContact O-N 3.02Å; G471-A473 VanDerWaalsContact C-N 3.3Å; G471-A473 PolarHBondContact O-N 3.22Å; G471-I474 WeakPolarHBondContact O-CB 3.35Å; G471-I474 PolarHBondContact O-N 3.34Å; G471-I474 VanDerWaalsContact O-N 3.12Å; G471-D475 PolarHBondContact O-N 3.02Å |
| 472 | V | 92.1 | Very high | 91.2 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 62% | 0.618 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -37.1 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 112 | A470 V476 S529 | A470-V472 PolarHBondContact O-N 3.44Å; V472-V476 WeakPolarHBondContact O-CG2 3.28Å; V472-V476 PolarHBondContact O-N 3.47Å; V472-S529 PolarHBondContact O-OG 2.87Å |
| 473 | A | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | A470 G471 D475 V476 V477 V482 S529 F532 | A470-A473 CarbonylContact O-C 3.58Å; A470-A473 WeakPolarHBondContact O-CA 3.44Å; A470-A473 WeakPolarHBondContact O-CB 3.15Å; A470-A473 PolarHBondContact O-N 2.98Å; G471-A473 VanDerWaalsContact C-N 3.3Å; G471-A473 PolarHBondContact O-N 3.22Å; A473-D475 VanDerWaalsContact C-N 3.32Å; A473-D475 PolarHBondContact O-N 2.84Å; A473-V476 PolarHBondContact O-N 2.99Å; A473-V477 WeakPolarHBondContact O-CG2 3.16Å; A473-V477 PolarHBondContact O-N 3.23Å; A473-V482 HydrophobicContact CB-CG2 4.13Å; A473-S529 WeakPolarHBondContact CA-OG 3.44Å; A473-F532 HydrophobicContact CB-CD1 4.03Å; A473-F532 HydrophobicContact CB-CE1 4.48Å |
| 474 | I | 93.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.2 | -68 | 162.2 | 0 | 0 | 0 | 110.7 | M462 R467 A470 G471 V476 G478 I479 V482 | M462-I474 HydrophobicContact CE-CD1 4.37Å; M462-I474 HydrophobicContact SD-CD1 3.95Å; R467-I474 HydrophobicContact CG-CD1 3.82Å; A470-I474 HydrophobicContact CB-CD1 4.14Å; A470-I474 HydrophobicContact CB-CG1 4.33Å; A470-I474 VanDerWaalsContact O-CG1 3.31Å; A470-I474 WeakPolarHBondContact O-CG1 3.28Å; A470-I474 PolarHBondContact O-N 3.38Å; G471-I474 WeakPolarHBondContact O-CB 3.35Å; G471-I474 PolarHBondContact O-N 3.34Å; G471-I474 VanDerWaalsContact O-N 3.12Å; I474-V476 PolarHBondContact O-N 3.13Å; I474-G478 CarbonylContact O-C 3.58Å; I474-G478 WeakPolarHBondContact O-CA 3.35Å; I474-G478 PolarHBondContact O-N 2.98Å; I474-I479 HydrophobicContact CD1-CD1 3.68Å; I474-I479 HydrophobicContact CG1-CD1 3.83Å; I474-I479 HydrophobicContact CG2-CB 3.92Å; I474-I479 HydrophobicContact CG2-CD1 3.94Å; I474-I479 HydrophobicContact CG2-CG1 4.49Å; I474-V482 HydrophobicContact CG1-CB 4.01Å; I474-V482 HydrophobicContact CG1-CG1 3.99Å; I474-V482 HydrophobicContact CG1-CG2 3.93Å |
| 475 | D | 92.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -27.2 | -179.9 | -65.7 | -22.8 | 0 | 0 | 0 | 113 | G471 A473 V513 S514 | G471-D475 PolarHBondContact O-N 3.02Å; A473-D475 VanDerWaalsContact C-N 3.32Å; A473-D475 PolarHBondContact O-N 2.84Å; D475-V513 PolarHBondContact O-N 3.27Å; D475-S514 VanDerWaalsContact O-CB 3.26Å; D475-S514 WeakPolarHBondContact O-CB 3.4Å; D475-S514 PolarHBondContact O-N 3.33Å; D475-S514 PolarHBondContact O-OG 3.36Å |
| 476 | V | 92.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -96.7 | -57 | -174.3 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | V472 A473 I474 R503 V513 A525 E526 | V472-V476 WeakPolarHBondContact O-CG2 3.28Å; V472-V476 PolarHBondContact O-N 3.47Å; A473-V476 PolarHBondContact O-N 2.99Å; I474-V476 PolarHBondContact O-N 3.13Å; V476-R503 PolarHBondContact O-NH2 3.5Å; V476-R503 VanDerWaalsContact O-NH2 3.13Å; V476-V513 WeakPolarHBondContact O-CG2 3.45Å; V476-V513 PolarHBondContact O-N 3.2Å; V476-A525 HydrophobicContact CG1-CB 4.41Å; V476-A525 HydrophobicContact CG2-CB 3.74Å; V476-E526 HydrophobicContact CG1-CB 4.34Å; V476-E526 WeakPolarHBondContact CG1-OE2 3.09Å |
| 477 | V | 92 | Very high | 92.5 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -95.3 | -13.2 | -175.2 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | A473 L481 V482 L500 L533 | A473-V477 WeakPolarHBondContact O-CG2 3.16Å; A473-V477 PolarHBondContact O-N 3.23Å; V477-L481 HydrophobicContact CG2-CD2 4.22Å; V477-V482 HydrophobicContact CG2-CG2 3.63Å; V477-L500 HydrophobicContact CG1-CD1 4.1Å; V477-L533 HydrophobicContact CG2-CD1 3.94Å |
| 478 | G | 91.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | trans | 96.3 | 148.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I474 N480 L481 V482 | I474-G478 CarbonylContact O-C 3.58Å; I474-G478 WeakPolarHBondContact O-CA 3.35Å; I474-G478 PolarHBondContact O-N 2.98Å; G478-N480 VanDerWaalsContact C-N 3.28Å; G478-N480 PolarHBondContact O-N 3.42Å; G478-L481 PolarHBondContact O-N 3.23Å; G478-V482 WeakPolarHBondContact O-CG2 3.43Å; G478-V482 PolarHBondContact O-N 2.72Å | ||
| 479 | I | 91.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 35% | 0.354 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -34.6 | -176.9 | -171.8 | 61 | 0 | 0 | 0 | 113.2 | M462 I474 V482 T483 | M462-I479 HydrophobicContact CE-CD1 3.62Å; M462-I479 HydrophobicContact SD-CD1 4.04Å; I474-I479 HydrophobicContact CD1-CD1 3.68Å; I474-I479 HydrophobicContact CG1-CD1 3.83Å; I474-I479 HydrophobicContact CG2-CB 3.92Å; I474-I479 HydrophobicContact CG2-CD1 3.94Å; I474-I479 HydrophobicContact CG2-CG1 4.49Å; I479-V482 PolarHBondContact O-N 3.39Å; I479-T483 VanDerWaalsContact O-CB 3.31Å; I479-T483 WeakPolarHBondContact O-CB 3.48Å; I479-T483 PolarHBondContact O-N 2.67Å; I479-T483 PolarHBondContact O-OG1 2.82Å |
| 480 | N | 91.7 | Very high | 92.6 | Very high | 120 Ų | 120 | 42.8 Ų | 42.8 | 64% | 0.642 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66 | -46 | -176.5 | -71.8 | -44.2 | 0 | 0 | 0 | 112.1 | G478 T483 K484 | G478-N480 VanDerWaalsContact C-N 3.28Å; G478-N480 PolarHBondContact O-N 3.42Å; N480-T483 PolarHBondContact O-N 3.07Å; N480-K484 WeakPolarHBondContact O-CG 3.34Å; N480-K484 PolarHBondContact O-N 3.23Å |
| 481 | L | 93.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 178.5 | -167.8 | 158.7 | 0 | 0 | 0 | 110.2 | V477 G478 T483 K484 A485 A496 E499 L500 L533 | V477-L481 HydrophobicContact CG2-CD2 4.22Å; G478-L481 PolarHBondContact O-N 3.23Å; L481-T483 VanDerWaalsContact C-N 3.33Å; L481-T483 PolarHBondContact O-N 2.89Å; L481-K484 PolarHBondContact O-N 3.29Å; L481-A485 PolarHBondContact O-N 2.68Å; L481-A496 HydrophobicContact CD2-CB 4.48Å; L481-E499 HydrophobicContact CD1-CB 4.05Å; L481-L500 HydrophobicContact CD1-CB 4.36Å; L481-L500 HydrophobicContact CD2-CB 4.39Å; L481-L500 HydrophobicContact CD2-CD1 4.45Å; L481-L533 HydrophobicContact CD2-CD1 3.56Å |
| 482 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | M462 A470 A473 I474 V477 G478 I479 K484 A485 Y486 L533 | M462-V482 HydrophobicContact CE-CB 3.93Å; M462-V482 HydrophobicContact CE-CG1 3.53Å; A470-V482 HydrophobicContact CB-CG1 3.59Å; A473-V482 HydrophobicContact CB-CG2 4.13Å; I474-V482 HydrophobicContact CG1-CB 4.01Å; I474-V482 HydrophobicContact CG1-CG1 3.99Å; I474-V482 HydrophobicContact CG1-CG2 3.93Å; V477-V482 HydrophobicContact CG2-CG2 3.63Å; G478-V482 WeakPolarHBondContact O-CG2 3.43Å; G478-V482 PolarHBondContact O-N 2.72Å; I479-V482 PolarHBondContact O-N 3.39Å; V482-K484 PolarHBondContact O-N 2.81Å; V482-A485 PolarHBondContact O-N 3.37Å; V482-Y486 HydrophobicContact CG1-CD2 3.87Å; V482-Y486 HydrophobicContact CG1-CE2 3.97Å; V482-Y486 WeakPolarHBondContact O-CD2 3.28Å; V482-Y486 PolarHBondContact O-N 3.11Å; V482-L533 HydrophobicContact CG2-CD2 4.5Å |
| 483 | T | 93.7 | Very high | 92.8 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.7 | -55 | 0 | 0 | 0 | 0 | 111 | P459 E460 M462 I479 N480 L481 A485 Y486 S487 | P459-T483 HydrophobicContact CB-CG2 4.08Å; P459-T483 HydrophobicContact CG-CG2 3.88Å; E460-T483 VanDerWaalsContact O-CG2 3.29Å; E460-T483 WeakPolarHBondContact O-CG2 3.42Å; M462-T483 WeakPolarHBondContact CE-OG1 3.03Å; I479-T483 VanDerWaalsContact O-CB 3.31Å; I479-T483 WeakPolarHBondContact O-CB 3.48Å; I479-T483 PolarHBondContact O-N 2.67Å; I479-T483 PolarHBondContact O-OG1 2.82Å; N480-T483 PolarHBondContact O-N 3.07Å; L481-T483 VanDerWaalsContact C-N 3.33Å; L481-T483 PolarHBondContact O-N 2.89Å; T483-A485 VanDerWaalsContact C-N 3.33Å; T483-A485 PolarHBondContact O-N 3.3Å; T483-Y486 CarbonylContact O-C 3.39Å; T483-Y486 PolarHBondContact O-N 2.8Å; T483-Y486 VanDerWaalsContact O-N 3.12Å; T483-S487 PolarHBondContact O-N 3.49Å; T483-S487 VanDerWaalsContact O-N 3.09Å |
| 484 | K | 93.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 173.1 | -68.2 | 173.6 | -170 | 167 | 0 | 112.1 | P459 N480 L481 V482 Y486 S487 F492 R493 A496 E499 | P459-K484 HydrophobicContact CB-CG 4.47Å; P459-K484 HydrophobicContact CG-CG 3.92Å; N480-K484 WeakPolarHBondContact O-CG 3.34Å; N480-K484 PolarHBondContact O-N 3.23Å; L481-K484 PolarHBondContact O-N 3.29Å; V482-K484 PolarHBondContact O-N 2.81Å; K484-Y486 PolarHBondContact O-N 3.25Å; K484-S487 WeakPolarHBondContact O-CB 3.27Å; K484-S487 PolarHBondContact O-N 3.35Å; K484-F492 HydrophobicContact CB-CB 4.35Å; K484-F492 CarbonylContact O-C 3.57Å; K484-R493 PolarHBondContact O-N 3.41Å; K484-A496 HydrophobicContact CB-CB 3.71Å; K484-E499 IonicContact NZ-OE1 2.88Å; K484-E499 PolarHBondContact NZ-OE1 2.76Å; K484-E499 IonicContact NZ-OE2 3.61Å; K484-E499 PolarHBondContact NZ-OE2 2.8Å |
| 485 | A | 94.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -21.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L481 V482 T483 A496 L533 R536 | L481-A485 PolarHBondContact O-N 2.68Å; V482-A485 PolarHBondContact O-N 3.37Å; T483-A485 VanDerWaalsContact C-N 3.33Å; T483-A485 PolarHBondContact O-N 3.3Å; A485-A496 HydrophobicContact CB-CB 3.87Å; A485-L533 HydrophobicContact CB-CD2 4.06Å; A485-R536 PolarHBondContact O-NE 2.96Å; A485-R536 VanDerWaalsContact O-NE 3.1Å |
| 486 | Y | 93.7 | Very high | 93 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -98.2 | -3.2 | 176.9 | -85.4 | -98 | 0 | 0 | 0 | 114.4 | N466 A470 V482 T483 K484 F532 R536 | N466-Y486 HydrophobicContact CB-CD1 3.75Å; N466-Y486 HydrophobicContact CB-CE1 3.64Å; N466-Y486 VanDerWaalsContact CG-CE1 3.5Å; N466-Y486 WeakPolarHBondContact ND2-CD1 3.42Å; A470-Y486 HydrophobicContact CB-CE2 4.18Å; V482-Y486 HydrophobicContact CG1-CD2 3.87Å; V482-Y486 HydrophobicContact CG1-CE2 3.97Å; V482-Y486 WeakPolarHBondContact O-CD2 3.28Å; V482-Y486 PolarHBondContact O-N 3.11Å; T483-Y486 CarbonylContact O-C 3.39Å; T483-Y486 PolarHBondContact O-N 2.8Å; T483-Y486 VanDerWaalsContact O-N 3.12Å; K484-Y486 PolarHBondContact O-N 3.25Å; Y486-F532 HydrophobicContact CE2-CE1 4.42Å; Y486-F532 WeakPolarHBondContact OH-CZ 3.49Å; Y486-R536 VanDerWaalsContact CD1-CZ 3.45Å |
| 487 | S | 92.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -57.3 | 145.1 | 175.9 | 169 | 0 | 0 | 0 | 0 | 112.9 | T483 K484 S489 F492 R493 | T483-S487 PolarHBondContact O-N 3.49Å; T483-S487 VanDerWaalsContact O-N 3.09Å; K484-S487 WeakPolarHBondContact O-CB 3.27Å; K484-S487 PolarHBondContact O-N 3.35Å; S487-S489 VanDerWaalsContact C-N 3.33Å; S487-S489 PolarHBondContact OG-N 2.73Å; S487-S489 PolarHBondContact OG-O 3.32Å; S487-S489 VanDerWaalsContact OG-O 3.09Å; S487-F492 WeakPolarHBondContact OG-CD2 3.48Å; S487-R493 VanDerWaalsContact O-CD 3.24Å; S487-R493 WeakPolarHBondContact O-CD 3.36Å; S487-R493 WeakPolarHBondContact O-CG 3.4Å; S487-R493 PolarHBondContact O-NH1 3.37Å | ||
| 488 | K | 90.7 | Very high | 93.3 | Very high | 179 Ų | 179 | 48.5 Ų | 48.5 | 78% | 0.778 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -69.4 | -34.1 | 169.4 | -69.1 | 166.3 | -174.6 | 179.1 | 0 | 110.8 | E460 W490 R493 | E460-K488 WeakPolarHBondContact OE1-CA 3.5Å; E460-K488 WeakPolarHBondContact OE1-CB 3.43Å; E460-K488 WeakPolarHBondContact OE1-CD 3.47Å; E460-K488 WeakPolarHBondContact OE1-CG 3.29Å; E460-K488 PolarHBondContact OE1-N 3.29Å; K488-W490 PolarHBondContact O-N 2.82Å; K488-R493 PolarHBondContact O-NH1 2.86Å |
| 489 | S | 90.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.3 | 119 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | S487 V491 F492 R493 | S487-S489 VanDerWaalsContact C-N 3.33Å; S487-S489 PolarHBondContact OG-N 2.73Å; S487-S489 PolarHBondContact OG-O 3.32Å; S487-S489 VanDerWaalsContact OG-O 3.09Å; S489-V491 PolarHBondContact O-N 3.46Å; S489-F492 PolarHBondContact O-N 3.11Å; S489-R493 PolarHBondContact O-N 3.43Å |
| 490 | W | 91.7 | Very high | 93.5 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 43% | 0.428 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -30.2 | -179.6 | 66.7 | -91.1 | 0 | 0 | 0 | 112.2 | K488 F492 R493 E494 V542 I545 | K488-W490 PolarHBondContact O-N 2.82Å; W490-F492 VanDerWaalsContact C-N 3.32Å; W490-F492 PolarHBondContact O-N 3.19Å; W490-R493 CarbonylContact O-C 3.43Å; W490-R493 WeakPolarHBondContact O-CA 3.23Å; W490-R493 WeakPolarHBondContact O-CB 3.5Å; W490-R493 PolarHBondContact O-N 2.71Å; W490-E494 VanDerWaalsContact CZ3-OE2 3.29Å; W490-E494 WeakPolarHBondContact CZ3-OE2 3.09Å; W490-E494 PolarHBondContact O-N 3.43Å; W490-V542 HydrophobicContact CB-CG1 4.41Å; W490-V542 HydrophobicContact CB-CG2 4.09Å; W490-I545 HydrophobicContact CB-CG1 4.48Å; W490-I545 WeakPolarHBondContact O-CD1 3.22Å |
| 491 | V | 93.1 | Very high | 93.6 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | S489 R493 K495 | S489-V491 PolarHBondContact O-N 3.46Å; V491-R493 VanDerWaalsContact C-N 3.35Å; V491-K495 WeakPolarHBondContact O-CB 3.3Å; V491-K495 PolarHBondContact O-N 2.75Å |
| 492 | F | 93.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 174 | -68.7 | -52.1 | 0 | 0 | 0 | 112.1 | D457 P459 K484 S487 S489 W490 K495 A496 | D457-F492 HydrophobicContact CB-CE2 4.39Å; D457-F492 HydrophobicContact CB-CZ 3.95Å; D457-F492 WeakPolarHBondContact O-CZ 3.42Å; P459-F492 HydrophobicContact CB-CD2 4.24Å; P459-F492 HydrophobicContact CB-CG 4.37Å; K484-F492 HydrophobicContact CB-CB 4.35Å; K484-F492 CarbonylContact O-C 3.57Å; S487-F492 WeakPolarHBondContact OG-CD2 3.48Å; S489-F492 PolarHBondContact O-N 3.11Å; W490-F492 VanDerWaalsContact C-N 3.32Å; W490-F492 PolarHBondContact O-N 3.19Å; F492-K495 PolarHBondContact O-N 3.12Å; F492-A496 WeakPolarHBondContact O-CB 3.32Å; F492-A496 PolarHBondContact O-N 3.17Å |
| 493 | R | 94.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 176.6 | -59.4 | -159.1 | -63.1 | -104.8 | 7.4 | 111.9 | K484 S487 K488 S489 W490 V491 A496 L497 D540 I545 | K484-R493 PolarHBondContact O-N 3.41Å; S487-R493 VanDerWaalsContact O-CD 3.24Å; S487-R493 WeakPolarHBondContact O-CD 3.36Å; S487-R493 WeakPolarHBondContact O-CG 3.4Å; S487-R493 PolarHBondContact O-NH1 3.37Å; K488-R493 PolarHBondContact O-NH1 2.86Å; S489-R493 PolarHBondContact O-N 3.43Å; W490-R493 CarbonylContact O-C 3.43Å; W490-R493 WeakPolarHBondContact O-CA 3.23Å; W490-R493 WeakPolarHBondContact O-CB 3.5Å; W490-R493 PolarHBondContact O-N 2.71Å; V491-R493 VanDerWaalsContact C-N 3.35Å; R493-A496 WeakPolarHBondContact O-CB 3.32Å; R493-A496 PolarHBondContact O-N 2.95Å; R493-L497 PolarHBondContact O-N 3.24Å; R493-L497 VanDerWaalsContact O-N 3.11Å; R493-D540 IonicContact CZ-OD1 3.77Å; R493-D540 IonicContact CZ-OD2 2.67Å; R493-D540 IonicContact NE-OD2 3.62Å; R493-D540 PolarHBondContact NE-OD2 3.46Å; R493-D540 VanDerWaalsContact NH2-CG 3.29Å; R493-D540 IonicContact NH2-OD1 3.82Å; R493-D540 PolarHBondContact NH2-OD1 2.89Å; R493-D540 IonicContact NH2-OD2 3.79Å; R493-D540 PolarHBondContact NH2-OD2 3.43Å; R493-I545 HydrophobicContact CB-CD1 4.19Å |
| 494 | E | 93.4 | Very high | 93.3 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 16% | 0.159 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.3 | -170.1 | 168.3 | -136.9 | 0 | 0 | 110.7 | W490 A496 L497 L498 I545 L548 | W490-E494 VanDerWaalsContact CZ3-OE2 3.29Å; W490-E494 WeakPolarHBondContact CZ3-OE2 3.09Å; W490-E494 PolarHBondContact O-N 3.43Å; E494-A496 VanDerWaalsContact C-N 3.26Å; E494-A496 PolarHBondContact O-N 2.84Å; E494-L497 WeakPolarHBondContact O-CB 3.24Å; E494-L497 PolarHBondContact O-N 2.75Å; E494-L498 HydrophobicContact CG-CD1 4.46Å; E494-L498 WeakPolarHBondContact O-CG 3.41Å; E494-L498 PolarHBondContact O-N 3.48Å; E494-I545 HydrophobicContact CB-CD1 3.53Å; E494-I545 HydrophobicContact CG-CD1 4.27Å; E494-L548 HydrophobicContact CG-CD2 3.91Å |
| 495 | K | 93.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57 | -39.5 | 175.1 | -172.5 | 172.3 | -175.6 | 171.6 | 0 | 112.2 | V491 F492 L497 L498 E499 | V491-K495 WeakPolarHBondContact O-CB 3.3Å; V491-K495 PolarHBondContact O-N 2.75Å; F492-K495 PolarHBondContact O-N 3.12Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-L497 PolarHBondContact O-N 2.71Å; K495-L498 PolarHBondContact O-N 3.44Å; K495-E499 WeakPolarHBondContact CE-OE1 3.35Å; K495-E499 HydrophobicContact CG-CG 4.47Å; K495-E499 WeakPolarHBondContact CG-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CB 3.34Å; K495-E499 VanDerWaalsContact O-CG 3.31Å; K495-E499 WeakPolarHBondContact O-CG 3.22Å; K495-E499 PolarHBondContact O-N 2.81Å |
| 496 | A | 95.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L481 K484 A485 F492 R493 E494 L500 | L481-A496 HydrophobicContact CD2-CB 4.48Å; K484-A496 HydrophobicContact CB-CB 3.71Å; A485-A496 HydrophobicContact CB-CB 3.87Å; F492-A496 WeakPolarHBondContact O-CB 3.32Å; F492-A496 PolarHBondContact O-N 3.17Å; R493-A496 WeakPolarHBondContact O-CB 3.32Å; R493-A496 PolarHBondContact O-N 2.95Å; E494-A496 VanDerWaalsContact C-N 3.26Å; E494-A496 PolarHBondContact O-N 2.84Å; A496-L500 VanDerWaalsContact O-CB 3.27Å; A496-L500 WeakPolarHBondContact O-CB 3.27Å; A496-L500 PolarHBondContact O-N 3.09Å |
| 497 | L | 95.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 176.6 | -74 | 171.3 | 0 | 0 | 0 | 112.2 | R493 E494 K495 L500 E501 L534 A537 I545 L548 F552 | R493-L497 PolarHBondContact O-N 3.24Å; R493-L497 VanDerWaalsContact O-N 3.11Å; E494-L497 WeakPolarHBondContact O-CB 3.24Å; E494-L497 PolarHBondContact O-N 2.75Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-L497 PolarHBondContact O-N 2.71Å; L497-L500 WeakPolarHBondContact O-CB 3.21Å; L497-L500 PolarHBondContact O-N 2.81Å; L497-E501 PolarHBondContact O-N 3.16Å; L497-L534 HydrophobicContact CD2-CD2 4.14Å; L497-A537 HydrophobicContact CD1-CB 3.71Å; L497-A537 HydrophobicContact CD2-CB 3.71Å; L497-A537 HydrophobicContact CG-CB 4.2Å; L497-I545 HydrophobicContact CD1-CG2 3.75Å; L497-L548 HydrophobicContact CB-CD2 3.85Å; L497-L548 HydrophobicContact CD1-CD2 4.28Å; L497-F552 HydrophobicContact CB-CD2 4.3Å; L497-F552 HydrophobicContact CB-CE2 4.2Å; L497-F552 WeakPolarHBondContact O-CE2 3.44Å |
| 498 | L | 95.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 65 Ų | 65 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.5 | -65 | 175 | 0 | 0 | 0 | 111.1 | E494 K495 L500 E501 Q502 L548 F552 | E494-L498 HydrophobicContact CG-CD1 4.46Å; E494-L498 WeakPolarHBondContact O-CG 3.41Å; E494-L498 PolarHBondContact O-N 3.48Å; K495-L498 PolarHBondContact O-N 3.44Å; L498-L500 VanDerWaalsContact C-N 3.29Å; L498-L500 PolarHBondContact O-N 2.69Å; L498-E501 PolarHBondContact O-N 2.75Å; L498-Q502 WeakPolarHBondContact O-CB 3.4Å; L498-Q502 VanDerWaalsContact O-CG 3.31Å; L498-Q502 WeakPolarHBondContact O-CG 3.36Å; L498-Q502 PolarHBondContact O-N 2.78Å; L498-L548 HydrophobicContact CD2-CD1 4.14Å; L498-L548 HydrophobicContact CD2-CD2 3.82Å; L498-L548 HydrophobicContact CG-CD2 4.03Å; L498-F552 HydrophobicContact CD2-CE2 4.14Å; L498-F552 HydrophobicContact CD2-CZ 3.79Å |
| 499 | E | 93.7 | Very high | 92 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 175.3 | -75.1 | 174.9 | -162.9 | 0 | 0 | 111.9 | L481 K484 K495 R503 | L481-E499 HydrophobicContact CD1-CB 4.05Å; K484-E499 IonicContact NZ-OE1 2.88Å; K484-E499 PolarHBondContact NZ-OE1 2.76Å; K484-E499 IonicContact NZ-OE2 3.61Å; K484-E499 PolarHBondContact NZ-OE2 2.8Å; K495-E499 WeakPolarHBondContact CE-OE1 3.35Å; K495-E499 HydrophobicContact CG-CG 4.47Å; K495-E499 WeakPolarHBondContact CG-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CB 3.34Å; K495-E499 VanDerWaalsContact O-CG 3.31Å; K495-E499 WeakPolarHBondContact O-CG 3.22Å; K495-E499 PolarHBondContact O-N 2.81Å; E499-R503 VanDerWaalsContact O-CB 3.31Å; E499-R503 WeakPolarHBondContact O-CB 3.44Å; E499-R503 PolarHBondContact O-N 3.42Å |
| 500 | L | 94.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 176.6 | -175.7 | 65 | 0 | 0 | 0 | 111.7 | V477 L481 A496 L497 L498 R503 V504 T530 L533 | V477-L500 HydrophobicContact CG1-CD1 4.1Å; L481-L500 HydrophobicContact CD1-CB 4.36Å; L481-L500 HydrophobicContact CD2-CB 4.39Å; L481-L500 HydrophobicContact CD2-CD1 4.45Å; A496-L500 VanDerWaalsContact O-CB 3.27Å; A496-L500 WeakPolarHBondContact O-CB 3.27Å; A496-L500 PolarHBondContact O-N 3.09Å; L497-L500 WeakPolarHBondContact O-CB 3.21Å; L497-L500 PolarHBondContact O-N 2.81Å; L498-L500 VanDerWaalsContact C-N 3.29Å; L498-L500 PolarHBondContact O-N 2.69Å; L500-R503 PolarHBondContact O-N 3.44Å; L500-V504 HydrophobicContact CD1-CG2 4.45Å; L500-V504 VanDerWaalsContact O-CG2 3.25Å; L500-V504 WeakPolarHBondContact O-CG2 3.42Å; L500-V504 PolarHBondContact O-N 3.49Å; L500-V504 VanDerWaalsContact O-N 3.08Å; L500-T530 HydrophobicContact CD1-CG2 4.36Å; L500-T530 HydrophobicContact CD2-CG2 4.07Å; L500-T530 HydrophobicContact CG-CG2 4.18Å; L500-L533 HydrophobicContact CD1-CD1 4.14Å; L500-L533 HydrophobicContact CD2-CB 3.83Å; L500-L533 HydrophobicContact CD2-CD1 4.05Å |
| 501 | E | 93.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -44 | 178.7 | -173.9 | -96.2 | -172.8 | 0 | 0 | 111.5 | L497 L498 R503 V504 T505 F552 T556 | L497-E501 PolarHBondContact O-N 3.16Å; L498-E501 PolarHBondContact O-N 2.75Å; E501-R503 VanDerWaalsContact C-N 3.32Å; E501-R503 PolarHBondContact O-N 3.11Å; E501-V504 PolarHBondContact O-N 2.96Å; E501-T505 HydrophobicContact CG-CG2 4.09Å; E501-T505 WeakPolarHBondContact O-CB 3.32Å; E501-T505 VanDerWaalsContact O-CG2 3.3Å; E501-T505 WeakPolarHBondContact O-CG2 3.36Å; E501-T505 PolarHBondContact O-N 3.48Å; E501-T505 PolarHBondContact O-OG1 3.13Å; E501-F552 HydrophobicContact CB-CD1 4.32Å; E501-F552 HydrophobicContact CB-CD2 3.72Å; E501-F552 HydrophobicContact CB-CE1 4.15Å; E501-F552 HydrophobicContact CB-CE2 3.52Å; E501-F552 HydrophobicContact CB-CG 4.11Å; E501-F552 HydrophobicContact CB-CZ 3.72Å; E501-F552 HydrophobicContact CG-CD1 3.83Å; E501-F552 HydrophobicContact CG-CD2 4.15Å; E501-F552 HydrophobicContact CG-CE1 3.73Å; E501-F552 HydrophobicContact CG-CE2 4.06Å; E501-F552 HydrophobicContact CG-CG 4.02Å; E501-F552 HydrophobicContact CG-CZ 3.82Å; E501-T556 HydrophobicContact CB-CG2 4.15Å; E501-T556 HydrophobicContact CG-CG2 3.97Å |
| 502 | Q | 93 | Very high | 91 | Very high | 124 Ų | 124 | 50 Ų | 50 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 174.6 | -73 | 175.3 | 7.1 | 0 | 0 | 112 | L498 V504 A506 | L498-Q502 WeakPolarHBondContact O-CB 3.4Å; L498-Q502 VanDerWaalsContact O-CG 3.31Å; L498-Q502 WeakPolarHBondContact O-CG 3.36Å; L498-Q502 PolarHBondContact O-N 2.78Å; Q502-V504 PolarHBondContact O-N 3.35Å; Q502-A506 VanDerWaalsContact O-CB 3.31Å; Q502-A506 WeakPolarHBondContact O-CB 3.35Å; Q502-A506 PolarHBondContact O-N 3.3Å |
| 503 | R | 92.6 | Very high | 90.7 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 178.1 | -179.6 | 174.7 | 171.9 | 92.1 | 5.1 | 112.3 | V476 E499 L500 E501 P510 P511 E526 | V476-R503 PolarHBondContact O-NH2 3.5Å; V476-R503 VanDerWaalsContact O-NH2 3.13Å; E499-R503 VanDerWaalsContact O-CB 3.31Å; E499-R503 WeakPolarHBondContact O-CB 3.44Å; E499-R503 PolarHBondContact O-N 3.42Å; L500-R503 PolarHBondContact O-N 3.44Å; E501-R503 VanDerWaalsContact C-N 3.32Å; E501-R503 PolarHBondContact O-N 3.11Å; R503-P510 HydrophobicContact CG-CG 3.84Å; R503-P510 VanDerWaalsContact NH1-CG 3.29Å; R503-P511 PolarHBondContact NH2-O 2.78Å; R503-E526 WeakPolarHBondContact CD-OE1 3.23Å; R503-E526 IonicContact CZ-OE1 2.8Å; R503-E526 IonicContact CZ-OE2 3.98Å; R503-E526 IonicContact NE-OE1 2.85Å; R503-E526 PolarHBondContact NE-OE1 3.39Å; R503-E526 IonicContact NE-OE2 2.87Å; R503-E526 IonicContact NH2-OE1 3.7Å; R503-E526 IonicContact NH2-OE2 3.91Å; R503-E526 PolarHBondContact NH2-OE2 3.48Å |
| 504 | V | 91.3 | Very high | 90 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81 | -33.8 | -176 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L500 E501 Q502 E526 T530 T556 F560 | L500-V504 HydrophobicContact CD1-CG2 4.45Å; L500-V504 VanDerWaalsContact O-CG2 3.25Å; L500-V504 WeakPolarHBondContact O-CG2 3.42Å; L500-V504 PolarHBondContact O-N 3.49Å; L500-V504 VanDerWaalsContact O-N 3.08Å; E501-V504 PolarHBondContact O-N 2.96Å; Q502-V504 PolarHBondContact O-N 3.35Å; V504-E526 HydrophobicContact CG2-CG 4.47Å; V504-T530 HydrophobicContact CG2-CG2 4.09Å; V504-T530 WeakPolarHBondContact CG2-OG1 3.29Å; V504-T556 HydrophobicContact CB-CG2 4.42Å; V504-T556 HydrophobicContact CG1-CG2 4.4Å; V504-T556 WeakPolarHBondContact CG1-O 2.87Å; V504-F560 HydrophobicContact CB-CD2 4.46Å; V504-F560 HydrophobicContact CG1-CB 3.93Å; V504-F560 HydrophobicContact CG1-CD2 3.29Å; V504-F560 HydrophobicContact CG1-CE2 3.87Å; V504-F560 HydrophobicContact CG1-CG 3.71Å |
| 505 | T | 90.8 | Very high | 89.5 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.9 | -16.3 | 178.4 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | E501 P555 R563 | E501-T505 HydrophobicContact CG-CG2 4.09Å; E501-T505 WeakPolarHBondContact O-CB 3.32Å; E501-T505 VanDerWaalsContact O-CG2 3.3Å; E501-T505 WeakPolarHBondContact O-CG2 3.36Å; E501-T505 PolarHBondContact O-N 3.48Å; E501-T505 PolarHBondContact O-OG1 3.13Å; T505-P555 HydrophobicContact CG2-CB 4.25Å; T505-R563 PolarHBondContact O-NH1 3.29Å; T505-R563 VanDerWaalsContact O-NH1 3.1Å |
| 506 | A | 88.8 | Confident | 88.7 | Confident | 28 Ų | 28 | 55 Ų | 55 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -48.2 | 147 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q502 K508 R563 | Q502-A506 VanDerWaalsContact O-CB 3.31Å; Q502-A506 WeakPolarHBondContact O-CB 3.35Å; Q502-A506 PolarHBondContact O-N 3.3Å; A506-K508 PolarHBondContact O-N 3.24Å; A506-K508 VanDerWaalsContact O-N 3.09Å; A506-R563 VanDerWaalsContact O-CZ 3.24Å; A506-R563 PolarHBondContact O-NH1 2.58Å; A506-R563 PolarHBondContact O-NH2 3.06Å |
| 507 | P | 84 | Confident | 87.7 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 78% | 0.779 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -58.2 | -24.5 | -178.3 | -27.4 | 35.1 | 0 | 0 | 0 | 115.7 | R563 | P507-R563 PolarHBondContact O-NH2 3.1Š|
| 508 | K | 85.3 | Confident | 86.8 | Confident | 180 Ų | 180 | 68.2 Ų | 68.2 | 78% | 0.783 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -132.3 | 134.8 | 173 | -67.1 | -178.5 | 179.6 | 178.3 | 0 | 108.8 | A506 P510 | A506-K508 PolarHBondContact O-N 3.24Å; A506-K508 VanDerWaalsContact O-N 3.09Å; K508-P510 WeakPolarHBondContact O-CD 3.24Å |
| 509 | L | 87.1 | Confident | 86.1 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 122.2 | 174.5 | -167.6 | 59.6 | 0 | 0 | 0 | 109.4 | P521 P523 E526 F560 Y564 | L509-P521 HydrophobicContact CB-CB 3.96Å; L509-P521 HydrophobicContact CD2-CB 4.01Å; L509-P521 HydrophobicContact CG-CB 4.08Å; L509-P523 HydrophobicContact CD2-CB 4.08Å; L509-P523 HydrophobicContact CD2-CG 3.9Å; L509-E526 HydrophobicContact CD1-CB 4.38Å; L509-E526 HydrophobicContact CD1-CG 3.83Å; L509-E526 HydrophobicContact CD2-CB 4.29Å; L509-F560 HydrophobicContact CD1-CE2 3.75Å; L509-F560 HydrophobicContact CD1-CZ 3.96Å; L509-F560 HydrophobicContact CD2-CE2 4.21Å; L509-F560 HydrophobicContact CD2-CZ 3.75Å; L509-Y564 HydrophobicContact CB-CE1 4.01Å; L509-Y564 WeakPolarHBondContact CB-OH 3.47Å; L509-Y564 PolarHBondContact N-OH 2.79Å |
| 510 | P | 85.2 | Confident | 85.5 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65 | 152.3 | 171.2 | 25.4 | -34 | 0 | 0 | 0 | 111.2 | R503 K508 | R503-P510 HydrophobicContact CG-CG 3.84Å; R503-P510 VanDerWaalsContact NH1-CG 3.29Å; K508-P510 WeakPolarHBondContact O-CD 3.24Å |
| 511 | P | 84.6 | Confident | 84.9 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 17% | 0.169 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 159.9 | 170.6 | 25.7 | -31.2 | 0 | 0 | 0 | 111.4 | R503 V513 A519 | R503-P511 PolarHBondContact NH2-O 2.78Å; P511-V513 PolarHBondContact O-N 2.92Å; P511-A519 HydrophobicContact CB-CB 4.26Å |
| 512 | P | 86.1 | Confident | 84.7 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 132.2 | 168.6 | -25.9 | 35.7 | 0 | 0 | 0 | 110.5 | S514 L515 D522 | P512-S514 PolarHBondContact O-N 3.44Å; P512-S514 VanDerWaalsContact O-N 3.08Å; P512-L515 HydrophobicContact CB-CD1 4.33Å; P512-L515 HydrophobicContact CG-CD1 4.16Å; P512-L515 PolarHBondContact O-N 2.9Å; P512-D522 HydrophobicContact CG-CB 4.18Å |
| 513 | V | 86.6 | Confident | 84.7 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.4 | -174.3 | 175.9 | 0 | 0 | 0 | 0 | 113.2 | D475 V476 P511 L515 | D475-V513 PolarHBondContact O-N 3.27Å; V476-V513 WeakPolarHBondContact O-CG2 3.45Å; V476-V513 PolarHBondContact O-N 3.2Å; P511-V513 PolarHBondContact O-N 2.92Å; V513-L515 VanDerWaalsContact C-N 3.3Å |
| 514 | S | 80.3 | Confident | 84.6 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -16.2 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | D475 P512 | D475-S514 VanDerWaalsContact O-CB 3.26Å; D475-S514 WeakPolarHBondContact O-CB 3.4Å; D475-S514 PolarHBondContact O-N 3.33Å; D475-S514 PolarHBondContact O-OG 3.36Å; P512-S514 PolarHBondContact O-N 3.44Å; P512-S514 VanDerWaalsContact O-N 3.08Å |
| 515 | L | 83.2 | Confident | 84.7 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 46% | 0.461 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -105.3 | 155.9 | -179.6 | -67.3 | 174.4 | 0 | 0 | 0 | 111.2 | P512 V513 A519 | P512-L515 HydrophobicContact CB-CD1 4.33Å; P512-L515 HydrophobicContact CG-CD1 4.16Å; P512-L515 PolarHBondContact O-N 2.9Å; V513-L515 VanDerWaalsContact C-N 3.3Å; L515-A519 HydrophobicContact CB-CB 3.67Å; L515-A519 HydrophobicContact CD1-CB 4.05Å; L515-A519 HydrophobicContact CG-CB 4.44Å |
| 516 | P | 75.2 | Confident | 84.8 | Confident | 86 Ų | 86 | 71 Ų | 71 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | trans | -58.7 | 152.2 | 174.7 | -21 | 32.1 | 0 | 0 | 0 | 111.9 | T518 A519 | P516-T518 PolarHBondContact O-N 2.98Å; P516-A519 VanDerWaalsContact O-CB 3.24Å; P516-A519 WeakPolarHBondContact O-CB 3.45Å; P516-A519 PolarHBondContact O-N 3.12Å | ||
| 517 | D | 75.7 | Confident | 85 | Confident | 156 Ų | 156 | 69.7 Ų | 69.7 | 83% | 0.834 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.5 | 179.9 | -67.1 | -30.6 | 0 | 0 | 0 | 114.3 | ||
| 518 | T | 76.3 | Confident | 85.5 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 81% | 0.81 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.2 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | P516 | P516-T518 PolarHBondContact O-N 2.98Š|
| 519 | A | 79.6 | Confident | 85.9 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -71.6 | 154.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | P511 L515 P516 | P511-A519 HydrophobicContact CB-CB 4.26Å; L515-A519 HydrophobicContact CB-CB 3.67Å; L515-A519 HydrophobicContact CD1-CB 4.05Å; L515-A519 HydrophobicContact CG-CB 4.44Å; P516-A519 VanDerWaalsContact O-CB 3.24Å; P516-A519 WeakPolarHBondContact O-CB 3.45Å; P516-A519 PolarHBondContact O-N 3.12Å |
| 520 | H | 81.2 | Confident | 86.3 | Confident | 170 Ų | 170 | 59.7 Ų | 59.7 | 79% | 0.787 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 139 | 174.3 | -68.3 | -60.9 | 0 | 0 | 0 | 110.5 | ||
| 521 | P | 83.5 | Confident | 86.8 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 144.4 | 174.3 | 27.1 | -33.7 | 0 | 0 | 0 | 110.2 | L509 P523 | L509-P521 HydrophobicContact CB-CB 3.96Å; L509-P521 HydrophobicContact CD2-CB 4.01Å; L509-P521 HydrophobicContact CG-CB 4.08Å; P521-P523 WeakPolarHBondContact O-CD 3.48Å |
| 522 | D | 89.3 | Confident | 87.3 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -113.7 | 90.7 | 174.2 | -175.2 | -10.7 | 0 | 0 | 0 | 110.1 | P512 K524 A525 E526 | P512-D522 HydrophobicContact CG-CB 4.18Å; D522-K524 PolarHBondContact O-N 2.92Å; D522-K524 WeakPolarHBondContact OD1-CB 3.3Å; D522-K524 PolarHBondContact OD1-N 3.43Å; D522-A525 HydrophobicContact CB-CB 3.98Å; D522-A525 VanDerWaalsContact CG-CB 3.49Å; D522-A525 PolarHBondContact O-N 2.98Å; D522-A525 PolarHBondContact OD1-N 2.83Å; D522-A525 WeakPolarHBondContact OD2-CB 3.17Å; D522-E526 PolarHBondContact O-N 3.36Å | ||
| 523 | P | 91.1 | Very high | 87.8 | Confident | 29 Ų | 29 | 60 Ų | 60 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.8 | -30.1 | 178.3 | -23.4 | 32.5 | 0 | 0 | 0 | 113.4 | L509 P521 I527 F560 Y564 I566 | L509-P523 HydrophobicContact CD2-CB 4.08Å; L509-P523 HydrophobicContact CD2-CG 3.9Å; P521-P523 WeakPolarHBondContact O-CD 3.48Å; P523-I527 WeakPolarHBondContact O-CG2 3.38Å; P523-I527 PolarHBondContact O-N 2.68Å; P523-F560 HydrophobicContact CB-CE1 4.13Å; P523-F560 HydrophobicContact CB-CZ 4.16Å; P523-F560 WeakPolarHBondContact O-CE1 3.43Å; P523-Y564 HydrophobicContact CB-CD1 4.44Å; P523-Y564 HydrophobicContact CB-CG 4.06Å; P523-Y564 HydrophobicContact CG-CD1 3.93Å; P523-Y564 HydrophobicContact CG-CG 4.06Å; P523-I566 HydrophobicContact CB-CD1 4.21Å; P523-I566 HydrophobicContact CB-CG1 4.47Å |
| 524 | K | 92.1 | Very high | 88.3 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | -178.7 | -65.8 | -167.1 | 179.3 | -147.1 | 0 | 111.6 | D522 I527 R528 D570 | D522-K524 PolarHBondContact O-N 2.92Å; D522-K524 WeakPolarHBondContact OD1-CB 3.3Å; D522-K524 PolarHBondContact OD1-N 3.43Å; K524-I527 WeakPolarHBondContact O-CG2 3.23Å; K524-R528 VanDerWaalsContact O-CG 3.3Å; K524-R528 WeakPolarHBondContact O-CG 3.21Å; K524-R528 PolarHBondContact O-N 3.27Å; K524-D570 WeakPolarHBondContact CE-OD2 3.3Å; K524-D570 IonicContact NZ-OD2 2.58Å; K524-D570 PolarHBondContact NZ-OD2 3.4Å |
| 525 | A | 92 | Very high | 89 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V476 D522 R528 S529 | V476-A525 HydrophobicContact CG1-CB 4.41Å; V476-A525 HydrophobicContact CG2-CB 3.74Å; D522-A525 HydrophobicContact CB-CB 3.98Å; D522-A525 VanDerWaalsContact CG-CB 3.49Å; D522-A525 PolarHBondContact O-N 2.98Å; D522-A525 PolarHBondContact OD1-N 2.83Å; D522-A525 WeakPolarHBondContact OD2-CB 3.17Å; A525-R528 PolarHBondContact O-N 3.35Å; A525-S529 WeakPolarHBondContact O-CB 3.45Å; A525-S529 PolarHBondContact O-N 3.26Å; A525-S529 PolarHBondContact O-OG 2.93Å |
| 526 | E | 93.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 179.9 | -161.6 | 80.4 | -161.3 | 0 | 0 | 112.3 | V476 R503 V504 L509 D522 R528 S529 T530 F560 | V476-E526 HydrophobicContact CG1-CB 4.34Å; V476-E526 WeakPolarHBondContact CG1-OE2 3.09Å; R503-E526 WeakPolarHBondContact CD-OE1 3.23Å; R503-E526 IonicContact CZ-OE1 2.8Å; R503-E526 IonicContact CZ-OE2 3.98Å; R503-E526 IonicContact NE-OE1 2.85Å; R503-E526 PolarHBondContact NE-OE1 3.39Å; R503-E526 IonicContact NE-OE2 2.87Å; R503-E526 IonicContact NH2-OE1 3.7Å; R503-E526 IonicContact NH2-OE2 3.91Å; R503-E526 PolarHBondContact NH2-OE2 3.48Å; V504-E526 HydrophobicContact CG2-CG 4.47Å; L509-E526 HydrophobicContact CD1-CB 4.38Å; L509-E526 HydrophobicContact CD1-CG 3.83Å; L509-E526 HydrophobicContact CD2-CB 4.29Å; D522-E526 PolarHBondContact O-N 3.36Å; E526-R528 VanDerWaalsContact C-N 3.31Å; E526-R528 PolarHBondContact O-N 2.97Å; E526-S529 PolarHBondContact O-N 3.23Å; E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.14Å; E526-T530 PolarHBondContact O-OG1 3.34Å; E526-F560 HydrophobicContact CB-CZ 4.07Å; E526-F560 HydrophobicContact CG-CZ 4.25Å |
| 527 | I | 93.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 179.8 | -163.2 | 174.6 | 0 | 0 | 0 | 111.9 | P523 K524 T531 V557 F560 A561 I566 | P523-I527 WeakPolarHBondContact O-CG2 3.38Å; P523-I527 PolarHBondContact O-N 2.68Å; K524-I527 WeakPolarHBondContact O-CG2 3.23Å; I527-T531 VanDerWaalsContact O-CB 3.29Å; I527-T531 WeakPolarHBondContact O-CB 3.39Å; I527-T531 PolarHBondContact O-N 2.79Å; I527-T531 PolarHBondContact O-OG1 3.35Å; I527-V557 HydrophobicContact CD1-CG1 4.08Å; I527-V557 HydrophobicContact CG1-CG1 4.39Å; I527-F560 HydrophobicContact CB-CD1 3.99Å; I527-F560 HydrophobicContact CB-CE1 3.93Å; I527-F560 HydrophobicContact CD1-CD1 4.23Å; I527-F560 HydrophobicContact CG1-CD1 4.19Å; I527-A561 HydrophobicContact CD1-CB 4.15Å; I527-I566 HydrophobicContact CB-CD1 4.02Å; I527-I566 HydrophobicContact CD1-CD1 3.86Å; I527-I566 HydrophobicContact CG2-CD1 3.88Å |
| 528 | R | 94 | Very high | 91.6 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.5 | -42.3 | 179.3 | -71.7 | -177.7 | -168.9 | 127.5 | -0.6 | 111.7 | K524 A525 E526 T531 F532 D570 Y573 | K524-R528 VanDerWaalsContact O-CG 3.3Å; K524-R528 WeakPolarHBondContact O-CG 3.21Å; K524-R528 PolarHBondContact O-N 3.27Å; A525-R528 PolarHBondContact O-N 3.35Å; E526-R528 VanDerWaalsContact C-N 3.31Å; E526-R528 PolarHBondContact O-N 2.97Å; R528-T531 PolarHBondContact O-N 2.78Å; R528-F532 PolarHBondContact O-N 2.88Å; R528-D570 IonicContact CZ-OD1 3.83Å; R528-D570 IonicContact NH2-OD1 3.96Å; R528-D570 PolarHBondContact NH2-OD1 3.39Å; R528-Y573 HydrophobicContact CG-CE1 4.38Å |
| 529 | S | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -41 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | V472 A473 A525 E526 F532 L533 | V472-S529 PolarHBondContact O-OG 2.87Å; A473-S529 WeakPolarHBondContact CA-OG 3.44Å; A525-S529 WeakPolarHBondContact O-CB 3.45Å; A525-S529 PolarHBondContact O-N 3.26Å; A525-S529 PolarHBondContact O-OG 2.93Å; E526-S529 PolarHBondContact O-N 3.23Å; S529-F532 WeakPolarHBondContact O-CB 3.49Å; S529-F532 PolarHBondContact O-N 2.61Å; S529-L533 PolarHBondContact O-N 3.32Å; S529-L533 VanDerWaalsContact O-N 3.11Å |
| 530 | T | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | L500 V504 E526 F532 L533 L534 | L500-T530 HydrophobicContact CD1-CG2 4.36Å; L500-T530 HydrophobicContact CD2-CG2 4.07Å; L500-T530 HydrophobicContact CG-CG2 4.18Å; V504-T530 HydrophobicContact CG2-CG2 4.09Å; V504-T530 WeakPolarHBondContact CG2-OG1 3.29Å; E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.14Å; E526-T530 PolarHBondContact O-OG1 3.34Å; T530-F532 VanDerWaalsContact C-N 3.29Å; T530-F532 PolarHBondContact O-N 3.22Å; T530-L533 PolarHBondContact O-N 3.42Å; T530-L534 HydrophobicContact CG2-CD1 3.84Å; T530-L534 HydrophobicContact CG2-CG 4.42Å; T530-L534 WeakPolarHBondContact O-CB 3.05Å; T530-L534 WeakPolarHBondContact O-CG 3.39Å; T530-L534 PolarHBondContact O-N 3.32Å |
| 531 | T | 95.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | I527 R528 R535 C574 K577 L578 | I527-T531 VanDerWaalsContact O-CB 3.29Å; I527-T531 WeakPolarHBondContact O-CB 3.39Å; I527-T531 PolarHBondContact O-N 2.79Å; I527-T531 PolarHBondContact O-OG1 3.35Å; R528-T531 PolarHBondContact O-N 2.78Å; T531-R535 VanDerWaalsContact O-CB 3.28Å; T531-R535 WeakPolarHBondContact O-CB 3.49Å; T531-R535 PolarHBondContact O-N 3.38Å; T531-C574 HydrophobicContact CG2-CB 4Å; T531-C574 WeakPolarHBondContact CG2-O 3.38Å; T531-C574 WeakPolarHBondContact OG1-CB 3.34Å; T531-C574 PolarHBondContact OG1-SG 3.39Å; T531-K577 HydrophobicContact CG2-CB 3.96Å; T531-L578 HydrophobicContact CG2-CD1 4.35Å; T531-L578 HydrophobicContact CG2-CD2 4Å; T531-L578 HydrophobicContact CG2-CG 3.99Å |
| 532 | F | 95.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.2 | 175 | -95.2 | 0 | 0 | 0 | 112.1 | A470 A473 Y486 R528 S529 T530 R536 | A470-F532 HydrophobicContact CB-CE1 3.85Å; A470-F532 HydrophobicContact CB-CZ 4.26Å; A473-F532 HydrophobicContact CB-CD1 4.03Å; A473-F532 HydrophobicContact CB-CE1 4.48Å; Y486-F532 HydrophobicContact CE2-CE1 4.42Å; Y486-F532 WeakPolarHBondContact OH-CZ 3.49Å; R528-F532 PolarHBondContact O-N 2.88Å; S529-F532 WeakPolarHBondContact O-CB 3.49Å; S529-F532 PolarHBondContact O-N 2.61Å; T530-F532 VanDerWaalsContact C-N 3.29Å; T530-F532 PolarHBondContact O-N 3.22Å; F532-R536 PolarHBondContact O-N 3.44Å |
| 533 | L | 96 | Very high | 94.4 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70 | -40.9 | 178.4 | -66.2 | 177 | 0 | 0 | 0 | 112.4 | V477 L481 V482 A485 L500 S529 T530 R535 R536 A537 | V477-L533 HydrophobicContact CG2-CD1 3.94Å; L481-L533 HydrophobicContact CD2-CD1 3.56Å; V482-L533 HydrophobicContact CG2-CD2 4.5Å; A485-L533 HydrophobicContact CB-CD2 4.06Å; L500-L533 HydrophobicContact CD1-CD1 4.14Å; L500-L533 HydrophobicContact CD2-CB 3.83Å; L500-L533 HydrophobicContact CD2-CD1 4.05Å; S529-L533 PolarHBondContact O-N 3.32Å; S529-L533 VanDerWaalsContact O-N 3.11Å; T530-L533 PolarHBondContact O-N 3.42Å; L533-R535 PolarHBondContact O-N 3.48Å; L533-R536 WeakPolarHBondContact O-CB 3.39Å; L533-R536 PolarHBondContact O-N 3.05Å; L533-A537 PolarHBondContact O-N 2.86Å |
| 534 | L | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.8 | -75.5 | 169.1 | 0 | 0 | 0 | 112.2 | L497 T530 R536 A537 L538 F552 T556 V557 L578 | L497-L534 HydrophobicContact CD2-CD2 4.14Å; T530-L534 HydrophobicContact CG2-CD1 3.84Å; T530-L534 HydrophobicContact CG2-CG 4.42Å; T530-L534 WeakPolarHBondContact O-CB 3.05Å; T530-L534 WeakPolarHBondContact O-CG 3.39Å; T530-L534 PolarHBondContact O-N 3.32Å; L534-R536 PolarHBondContact O-N 3.03Å; L534-A537 PolarHBondContact O-N 3.26Å; L534-A537 VanDerWaalsContact O-N 3.09Å; L534-L538 WeakPolarHBondContact O-CG 3.41Å; L534-L538 PolarHBondContact O-N 2.87Å; L534-F552 HydrophobicContact CD2-CB 4.1Å; L534-T556 WeakPolarHBondContact CD1-OG1 3.46Å; L534-V557 HydrophobicContact CD1-CG2 3.92Å; L534-L578 HydrophobicContact CB-CD2 4.02Å |
| 535 | R | 96.7 | Very high | 94.7 | Very high | 120 Ų | 120 | 40 Ų | 40 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.9 | -37.3 | 175.7 | -173.9 | -177.4 | 175.3 | -143.3 | -4.3 | 111.6 | T531 L533 N539 L578 V581 | T531-R535 VanDerWaalsContact O-CB 3.28Å; T531-R535 WeakPolarHBondContact O-CB 3.49Å; T531-R535 PolarHBondContact O-N 3.38Å; L533-R535 PolarHBondContact O-N 3.48Å; R535-N539 PolarHBondContact O-ND2 2.94Å; R535-L578 HydrophobicContact CB-CD2 3.86Å; R535-V581 HydrophobicContact CG-CG2 4.01Å |
| 536 | R | 94.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67 | -46.8 | 174.5 | 179 | 178.4 | 171 | 73.7 | 4 | 111 | A485 Y486 F532 L533 L534 L538 N539 D540 | A485-R536 PolarHBondContact O-NE 2.96Å; A485-R536 VanDerWaalsContact O-NE 3.1Å; Y486-R536 VanDerWaalsContact CD1-CZ 3.45Å; F532-R536 PolarHBondContact O-N 3.44Å; L533-R536 WeakPolarHBondContact O-CB 3.39Å; L533-R536 PolarHBondContact O-N 3.05Å; L534-R536 PolarHBondContact O-N 3.03Å; R536-L538 PolarHBondContact O-N 2.88Å; R536-N539 PolarHBondContact O-N 3.25Å; R536-N539 VanDerWaalsContact O-N 3.15Å; R536-D540 PolarHBondContact O-N 3.24Å |
| 537 | A | 96 | Very high | 94.9 | Very high | 7 Ų | 7 | 44 Ų | 44 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L497 L533 L534 N539 D540 I545 A549 | L497-A537 HydrophobicContact CD1-CB 3.71Å; L497-A537 HydrophobicContact CD2-CB 3.71Å; L497-A537 HydrophobicContact CG-CB 4.2Å; L533-A537 PolarHBondContact O-N 2.86Å; L534-A537 PolarHBondContact O-N 3.26Å; L534-A537 VanDerWaalsContact O-N 3.09Å; A537-N539 PolarHBondContact O-N 3.39Å; A537-D540 WeakPolarHBondContact O-CB 3.38Å; A537-D540 PolarHBondContact O-N 2.79Å; A537-I545 HydrophobicContact CB-CG2 4.13Å; A537-A549 HydrophobicContact CB-CB 3.66Å |
| 538 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -19.3 | 173.6 | -71.2 | 171.6 | 0 | 0 | 0 | 113.2 | L534 R536 F546 A549 T550 V553 L578 V581 I582 R585 | L534-L538 WeakPolarHBondContact O-CG 3.41Å; L534-L538 PolarHBondContact O-N 2.87Å; R536-L538 PolarHBondContact O-N 2.88Å; L538-F546 HydrophobicContact CD2-CD2 4.33Å; L538-F546 HydrophobicContact CD2-CE2 4.07Å; L538-F546 WeakPolarHBondContact O-CD2 3.37Å; L538-A549 HydrophobicContact CD2-CB 3.81Å; L538-A549 HydrophobicContact CG-CB 4.08Å; L538-T550 HydrophobicContact CD2-CG2 3.59Å; L538-V553 HydrophobicContact CD1-CG2 4.4Å; L538-L578 HydrophobicContact CD1-CB 4.08Å; L538-L578 HydrophobicContact CD1-CD2 3.82Å; L538-L578 HydrophobicContact CD1-CG 4.42Å; L538-V581 HydrophobicContact CB-CG1 3.69Å; L538-I582 HydrophobicContact CD1-CD1 4.13Å; L538-I582 HydrophobicContact CD1-CG1 3.93Å; L538-I582 HydrophobicContact CD2-CG1 4.21Å; L538-R585 PolarHBondContact O-NH1 2.83Å |
| 539 | N | 95.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.2 | 172.2 | -76.5 | -68.5 | 0 | 0 | 0 | 113 | R535 R536 A537 V581 | R535-N539 PolarHBondContact O-ND2 2.94Å; R536-N539 PolarHBondContact O-N 3.25Å; R536-N539 VanDerWaalsContact O-N 3.15Å; A537-N539 PolarHBondContact O-N 3.39Å; N539-V581 VanDerWaalsContact CG-CG1 3.5Å; N539-V581 VanDerWaalsContact ND2-CG1 3.31Å; N539-V581 WeakPolarHBondContact ND2-CG1 3.3Å; N539-V581 WeakPolarHBondContact OD1-CG1 3.41Å |
| 540 | D | 95.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | trans | -68.5 | 142.7 | 180 | -152.9 | -58.6 | 0 | 0 | 0 | 111.1 | R493 R536 A537 V542 I545 R585 | R493-D540 IonicContact CZ-OD1 3.77Å; R493-D540 IonicContact CZ-OD2 2.67Å; R493-D540 IonicContact NE-OD2 3.62Å; R493-D540 PolarHBondContact NE-OD2 3.46Å; R493-D540 VanDerWaalsContact NH2-CG 3.29Å; R493-D540 IonicContact NH2-OD1 3.82Å; R493-D540 PolarHBondContact NH2-OD1 2.89Å; R493-D540 IonicContact NH2-OD2 3.79Å; R493-D540 PolarHBondContact NH2-OD2 3.43Å; R536-D540 PolarHBondContact O-N 3.24Å; A537-D540 WeakPolarHBondContact O-CB 3.38Å; A537-D540 PolarHBondContact O-N 2.79Å; D540-V542 VanDerWaalsContact C-N 3.33Å; D540-V542 WeakPolarHBondContact OD1-CB 3.39Å; D540-V542 PolarHBondContact OD1-N 2.81Å; D540-I545 HydrophobicContact CB-CB 3.93Å; D540-I545 HydrophobicContact CB-CG2 3.62Å; D540-R585 PolarHBondContact O-NH1 3.39Å; D540-R585 PolarHBondContact O-NH2 2.84Å | ||
| 541 | Q | 92.4 | Very high | 95.1 | Very high | 183 Ų | 183 | 47 Ų | 47 | 86% | 0.855 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -79.6 | -20.8 | 177.8 | -66.4 | -175.7 | -22.1 | 0 | 0 | 111.9 | ||
| 542 | V | 93.9 | Very high | 95 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -81.6 | 124.5 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | W490 D540 S544 I545 F546 | W490-V542 HydrophobicContact CB-CG1 4.41Å; W490-V542 HydrophobicContact CB-CG2 4.09Å; D540-V542 VanDerWaalsContact C-N 3.33Å; D540-V542 WeakPolarHBondContact OD1-CB 3.39Å; D540-V542 PolarHBondContact OD1-N 2.81Å; V542-S544 WeakPolarHBondContact CG1-OG 3.49Å; V542-S544 PolarHBondContact O-N 2.86Å; V542-I545 HydrophobicContact CB-CB 4.43Å; V542-I545 HydrophobicContact CB-CG1 3.96Å; V542-I545 HydrophobicContact CG1-CG1 4.14Å; V542-I545 PolarHBondContact O-N 3.26Å; V542-F546 PolarHBondContact O-N 3.15Å; V542-F546 VanDerWaalsContact O-N 3.13Å |
| 543 | L | 92.9 | Very high | 95 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | -175.3 | 179 | 62.2 | 0 | 0 | 0 | 113.2 | I545 F546 R547 R592 V593 I596 | L543-I545 PolarHBondContact O-N 2.83Å; L543-F546 PolarHBondContact O-N 2.93Å; L543-R547 HydrophobicContact CD1-CG 4.11Å; L543-R547 HydrophobicContact CG-CG 4.28Å; L543-R547 WeakPolarHBondContact O-CB 3.36Å; L543-R547 WeakPolarHBondContact O-CG 3.3Å; L543-R547 PolarHBondContact O-N 3.38Å; L543-R592 HydrophobicContact CD2-CB 4.27Å; L543-V593 HydrophobicContact CD1-CG2 3.76Å; L543-I596 HydrophobicContact CD1-CD1 3.89Å |
| 544 | S | 93.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | V542 F546 R547 L548 | V542-S544 WeakPolarHBondContact CG1-OG 3.49Å; V542-S544 PolarHBondContact O-N 2.86Å; S544-F546 PolarHBondContact O-N 3.5Å; S544-R547 PolarHBondContact O-N 3.38Å; S544-L548 WeakPolarHBondContact O-CB 3.33Å; S544-L548 PolarHBondContact O-N 3.41Å |
| 545 | I | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 176 | -54 | -59 | 0 | 0 | 0 | 111.1 | W490 R493 E494 L497 A537 D540 V542 L543 L548 A549 | W490-I545 HydrophobicContact CB-CG1 4.48Å; W490-I545 WeakPolarHBondContact O-CD1 3.22Å; R493-I545 HydrophobicContact CB-CD1 4.19Å; E494-I545 HydrophobicContact CB-CD1 3.53Å; E494-I545 HydrophobicContact CG-CD1 4.27Å; L497-I545 HydrophobicContact CD1-CG2 3.75Å; A537-I545 HydrophobicContact CB-CG2 4.13Å; D540-I545 HydrophobicContact CB-CB 3.93Å; D540-I545 HydrophobicContact CB-CG2 3.62Å; V542-I545 HydrophobicContact CB-CB 4.43Å; V542-I545 HydrophobicContact CB-CG1 3.96Å; V542-I545 HydrophobicContact CG1-CG1 4.14Å; V542-I545 PolarHBondContact O-N 3.26Å; L543-I545 PolarHBondContact O-N 2.83Å; I545-L548 PolarHBondContact O-N 3.49Å; I545-A549 VanDerWaalsContact O-CB 3.22Å; I545-A549 WeakPolarHBondContact O-CB 3.49Å; I545-A549 PolarHBondContact O-N 3.07Å |
| 546 | F | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 177.9 | 178.9 | -106.5 | 0 | 0 | 0 | 112.5 | L538 V542 L543 S544 A549 T550 R585 V593 I596 A597 | L538-F546 HydrophobicContact CD2-CD2 4.33Å; L538-F546 HydrophobicContact CD2-CE2 4.07Å; L538-F546 WeakPolarHBondContact O-CD2 3.37Å; V542-F546 PolarHBondContact O-N 3.15Å; V542-F546 VanDerWaalsContact O-N 3.13Å; L543-F546 PolarHBondContact O-N 2.93Å; S544-F546 PolarHBondContact O-N 3.5Å; F546-A549 PolarHBondContact O-N 2.58Å; F546-T550 HydrophobicContact CD2-CG2 4.42Å; F546-T550 HydrophobicContact CE1-CG2 4.08Å; F546-T550 HydrophobicContact CE2-CG2 3.89Å; F546-T550 HydrophobicContact CZ-CG2 3.71Å; F546-T550 WeakPolarHBondContact O-CG2 3.47Å; F546-T550 PolarHBondContact O-N 3.16Å; F546-T550 PolarHBondContact O-OG1 3.06Å; F546-R585 HydrophobicContact CD2-CG 4.48Å; F546-R585 HydrophobicContact CE2-CB 4.07Å; F546-R585 HydrophobicContact CE2-CG 3.69Å; F546-R585 HydrophobicContact CZ-CB 3.88Å; F546-R585 HydrophobicContact CZ-CG 4.05Å; F546-V593 HydrophobicContact CD1-CG1 4.04Å; F546-V593 HydrophobicContact CE1-CG1 3.8Å; F546-V593 HydrophobicContact CZ-CG1 4.26Å; F546-I596 HydrophobicContact CD1-CG2 4.39Å; F546-I596 HydrophobicContact CE1-CB 4.23Å; F546-I596 HydrophobicContact CE1-CG2 3.94Å; F546-A597 HydrophobicContact CE1-CB 4.47Å; F546-A597 HydrophobicContact CZ-CB 4.06Å |
| 547 | R | 94.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 40 Ų | 40 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 173.9 | -81.2 | 178.4 | 175.4 | -173.2 | -6 | 111.5 | L543 S544 T550 K551 I596 | L543-R547 HydrophobicContact CD1-CG 4.11Å; L543-R547 HydrophobicContact CG-CG 4.28Å; L543-R547 WeakPolarHBondContact O-CB 3.36Å; L543-R547 WeakPolarHBondContact O-CG 3.3Å; L543-R547 PolarHBondContact O-N 3.38Å; S544-R547 PolarHBondContact O-N 3.38Å; R547-T550 PolarHBondContact O-N 2.97Å; R547-T550 PolarHBondContact O-OG1 3.39Å; R547-K551 PolarHBondContact O-N 3.4Å; R547-K551 VanDerWaalsContact O-N 3.12Å; R547-I596 HydrophobicContact CG-CD1 3.56Å; R547-I596 VanDerWaalsContact NE-CD1 3.28Å |
| 548 | L | 95 | Very high | 94.4 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 178.7 | -166 | 65.8 | 0 | 0 | 0 | 111.4 | E494 L497 L498 S544 I545 T550 K551 F552 | E494-L548 HydrophobicContact CG-CD2 3.91Å; L497-L548 HydrophobicContact CB-CD2 3.85Å; L497-L548 HydrophobicContact CD1-CD2 4.28Å; L498-L548 HydrophobicContact CD2-CD1 4.14Å; L498-L548 HydrophobicContact CD2-CD2 3.82Å; L498-L548 HydrophobicContact CG-CD2 4.03Å; S544-L548 WeakPolarHBondContact O-CB 3.33Å; S544-L548 PolarHBondContact O-N 3.41Å; I545-L548 PolarHBondContact O-N 3.49Å; L548-T550 PolarHBondContact O-N 2.87Å; L548-K551 PolarHBondContact O-N 3.25Å; L548-F552 HydrophobicContact CD1-CD1 4.35Å; L548-F552 HydrophobicContact CD1-CD2 4.34Å; L548-F552 HydrophobicContact CD1-CE1 3.69Å; L548-F552 HydrophobicContact CD1-CE2 3.66Å; L548-F552 HydrophobicContact CD1-CZ 3.31Å; L548-F552 HydrophobicContact CD2-CD2 4.47Å; L548-F552 HydrophobicContact CD2-CE2 3.76Å; L548-F552 HydrophobicContact CD2-CZ 4.19Å; L548-F552 HydrophobicContact CG-CD2 3.87Å; L548-F552 HydrophobicContact CG-CE1 4.28Å; L548-F552 HydrophobicContact CG-CE2 3.43Å; L548-F552 VanDerWaalsContact CG-CE2 3.43Å; L548-F552 HydrophobicContact CG-CG 4.48Å; L548-F552 HydrophobicContact CG-CZ 3.7Å; L548-F552 WeakPolarHBondContact O-CB 3.2Å; L548-F552 WeakPolarHBondContact O-CG 3.46Å; L548-F552 PolarHBondContact O-N 3.45Å |
| 549 | A | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A537 L538 I545 F546 F552 V553 | A537-A549 HydrophobicContact CB-CB 3.66Å; L538-A549 HydrophobicContact CD2-CB 3.81Å; L538-A549 HydrophobicContact CG-CB 4.08Å; I545-A549 VanDerWaalsContact O-CB 3.22Å; I545-A549 WeakPolarHBondContact O-CB 3.49Å; I545-A549 PolarHBondContact O-N 3.07Å; F546-A549 PolarHBondContact O-N 2.58Å; A549-F552 PolarHBondContact O-N 2.79Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.15Å |
| 550 | T | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -48.3 | 175.9 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | L538 F546 R547 L548 F552 V553 Q600 | L538-T550 HydrophobicContact CD2-CG2 3.59Å; F546-T550 HydrophobicContact CD2-CG2 4.42Å; F546-T550 HydrophobicContact CE1-CG2 4.08Å; F546-T550 HydrophobicContact CE2-CG2 3.89Å; F546-T550 HydrophobicContact CZ-CG2 3.71Å; F546-T550 WeakPolarHBondContact O-CG2 3.47Å; F546-T550 PolarHBondContact O-N 3.16Å; F546-T550 PolarHBondContact O-OG1 3.06Å; R547-T550 PolarHBondContact O-N 2.97Å; R547-T550 PolarHBondContact O-OG1 3.39Å; L548-T550 PolarHBondContact O-N 2.87Å; T550-F552 PolarHBondContact O-N 3.22Å; T550-V553 PolarHBondContact O-N 2.99Å; T550-V553 VanDerWaalsContact O-N 3.14Å; T550-Q600 HydrophobicContact CG2-CB 4.45Å; T550-Q600 HydrophobicContact CG2-CG 4.15Å; T550-Q600 PolarHBondContact O-OE1 2.6Å |
| 551 | K | 94 | Very high | 94.1 | Very high | 138 Ų | 138 | 38.8 Ų | 38.8 | 60% | 0.6 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -55.5 | -36.5 | 174.4 | -172.3 | 173.8 | -177.1 | 171.7 | 0 | 112.7 | R547 L548 P555 | R547-K551 PolarHBondContact O-N 3.4Å; R547-K551 VanDerWaalsContact O-N 3.12Å; L548-K551 PolarHBondContact O-N 3.25Å; K551-P555 WeakPolarHBondContact O-CD 3.02Å |
| 552 | F | 95.3 | Very high | 94 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80 | -12.8 | -177.5 | -70.1 | -6.7 | 0 | 0 | 0 | 114.8 | L497 L498 E501 L534 L548 A549 T550 K554 P555 T556 | L497-F552 HydrophobicContact CB-CD2 4.3Å; L497-F552 HydrophobicContact CB-CE2 4.2Å; L497-F552 WeakPolarHBondContact O-CE2 3.44Å; L498-F552 HydrophobicContact CD2-CE2 4.14Å; L498-F552 HydrophobicContact CD2-CZ 3.79Å; E501-F552 HydrophobicContact CB-CD1 4.32Å; E501-F552 HydrophobicContact CB-CD2 3.72Å; E501-F552 HydrophobicContact CB-CE1 4.15Å; E501-F552 HydrophobicContact CB-CE2 3.52Å; E501-F552 HydrophobicContact CB-CG 4.11Å; E501-F552 HydrophobicContact CB-CZ 3.72Å; E501-F552 HydrophobicContact CG-CD1 3.83Å; E501-F552 HydrophobicContact CG-CD2 4.15Å; E501-F552 HydrophobicContact CG-CE1 3.73Å; E501-F552 HydrophobicContact CG-CE2 4.06Å; E501-F552 HydrophobicContact CG-CG 4.02Å; E501-F552 HydrophobicContact CG-CZ 3.82Å; L534-F552 HydrophobicContact CD2-CB 4.1Å; L548-F552 HydrophobicContact CD1-CD1 4.35Å; L548-F552 HydrophobicContact CD1-CD2 4.34Å; L548-F552 HydrophobicContact CD1-CE1 3.69Å; L548-F552 HydrophobicContact CD1-CE2 3.66Å; L548-F552 HydrophobicContact CD1-CZ 3.31Å; L548-F552 HydrophobicContact CD2-CD2 4.47Å; L548-F552 HydrophobicContact CD2-CE2 3.76Å; L548-F552 HydrophobicContact CD2-CZ 4.19Å; L548-F552 HydrophobicContact CG-CD2 3.87Å; L548-F552 HydrophobicContact CG-CE1 4.28Å; L548-F552 HydrophobicContact CG-CE2 3.43Å; L548-F552 VanDerWaalsContact CG-CE2 3.43Å; L548-F552 HydrophobicContact CG-CG 4.48Å; L548-F552 HydrophobicContact CG-CZ 3.7Å; L548-F552 WeakPolarHBondContact O-CB 3.2Å; L548-F552 WeakPolarHBondContact O-CG 3.46Å; L548-F552 PolarHBondContact O-N 3.45Å; A549-F552 PolarHBondContact O-N 2.79Å; T550-F552 PolarHBondContact O-N 3.22Å; F552-K554 PolarHBondContact O-N 3.36Å; F552-P555 WeakPolarHBondContact O-CD 3.3Å; F552-T556 HydrophobicContact CB-CG2 4.2Å; F552-T556 WeakPolarHBondContact O-CB 3.48Å; F552-T556 WeakPolarHBondContact O-CG2 3.32Å; F552-T556 PolarHBondContact O-N 2.88Å; F552-T556 VanDerWaalsContact O-N 3.09Å; F552-T556 PolarHBondContact O-OG1 3.42Å |
| 553 | V | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L538 A549 T550 V557 M575 L578 W607 | L538-V553 HydrophobicContact CD1-CG2 4.4Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.15Å; T550-V553 PolarHBondContact O-N 2.99Å; T550-V553 VanDerWaalsContact O-N 3.14Å; V553-V557 VanDerWaalsContact O-CB 3.31Å; V553-V557 WeakPolarHBondContact O-CB 3.03Å; V553-V557 PolarHBondContact O-N 3.01Å; V553-V557 VanDerWaalsContact O-N 3.08Å; V553-M575 HydrophobicContact CG1-CE 4.32Å; V553-M575 HydrophobicContact CG1-SD 4.48Å; V553-L578 HydrophobicContact CG1-CD1 4.09Å; V553-L578 HydrophobicContact CG2-CD1 4.45Å; V553-W607 HydrophobicContact CB-CH2 4.45Å; V553-W607 HydrophobicContact CG1-CH2 4.03Å; V553-W607 HydrophobicContact CG1-CZ3 4.16Å |
| 554 | K | 93.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -67.9 | -51.3 | -176.6 | -172 | -177.2 | -176.8 | 178.9 | 0 | 112.7 | F552 T556 V558 N559 W607 | F552-K554 PolarHBondContact O-N 3.36Å; K554-T556 PolarHBondContact O-N 2.79Å; K554-V558 HydrophobicContact CG-CB 4.43Å; K554-V558 WeakPolarHBondContact O-CB 3.47Å; K554-V558 PolarHBondContact O-N 3.27Å; K554-V558 VanDerWaalsContact O-N 3.17Å; K554-N559 PolarHBondContact O-N 3.36Å; K554-W607 HydrophobicContact CB-CH2 3.7Å; K554-W607 HydrophobicContact CB-CZ2 3.59Å; K554-W607 HydrophobicContact CB-CZ3 4.4Å; K554-W607 HydrophobicContact CD-CZ2 3.94Å; K554-W607 HydrophobicContact CG-CD2 4.48Å; K554-W607 HydrophobicContact CG-CH2 4.29Å; K554-W607 HydrophobicContact CG-CZ2 3.94Å |
| 555 | P | 93.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 24% | 0.24 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -63 | -40.3 | 179.7 | -23.4 | 35.1 | 0 | 0 | 0 | 113.6 | T505 K551 F552 F560 | T505-P555 HydrophobicContact CG2-CB 4.25Å; K551-P555 WeakPolarHBondContact O-CD 3.02Å; F552-P555 WeakPolarHBondContact O-CD 3.3Å; P555-F560 PolarHBondContact O-N 3.48Å |
| 556 | T | 93.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -90.1 | -23.1 | -169.5 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | E501 V504 L534 F552 K554 F560 | E501-T556 HydrophobicContact CB-CG2 4.15Å; E501-T556 HydrophobicContact CG-CG2 3.97Å; V504-T556 HydrophobicContact CB-CG2 4.42Å; V504-T556 HydrophobicContact CG1-CG2 4.4Å; V504-T556 WeakPolarHBondContact CG1-O 2.87Å; L534-T556 WeakPolarHBondContact CD1-OG1 3.46Å; F552-T556 HydrophobicContact CB-CG2 4.2Å; F552-T556 WeakPolarHBondContact O-CB 3.48Å; F552-T556 WeakPolarHBondContact O-CG2 3.32Å; F552-T556 PolarHBondContact O-N 2.88Å; F552-T556 VanDerWaalsContact O-N 3.09Å; F552-T556 PolarHBondContact O-OG1 3.42Å; K554-T556 PolarHBondContact O-N 2.79Å; T556-F560 WeakPolarHBondContact O-CB 3.45Å |
| 557 | V | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -109.8 | -57.3 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | I527 L534 V553 A561 L571 C574 M575 L578 | I527-V557 HydrophobicContact CD1-CG1 4.08Å; I527-V557 HydrophobicContact CG1-CG1 4.39Å; L534-V557 HydrophobicContact CD1-CG2 3.92Å; V553-V557 VanDerWaalsContact O-CB 3.31Å; V553-V557 WeakPolarHBondContact O-CB 3.03Å; V553-V557 PolarHBondContact O-N 3.01Å; V553-V557 VanDerWaalsContact O-N 3.08Å; V557-A561 WeakPolarHBondContact O-CB 3.47Å; V557-A561 PolarHBondContact O-N 3.32Å; V557-L571 HydrophobicContact CG1-CD1 3.77Å; V557-C574 HydrophobicContact CG1-CB 3.81Å; V557-M575 HydrophobicContact CG1-SD 4.01Å; V557-L578 HydrophobicContact CG2-CD1 4.01Å |
| 558 | V | 93 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -74.8 | -56.2 | -173 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | K554 F560 A561 D562 L571 M575 W607 Q609 | K554-V558 HydrophobicContact CG-CB 4.43Å; K554-V558 WeakPolarHBondContact O-CB 3.47Å; K554-V558 PolarHBondContact O-N 3.27Å; K554-V558 VanDerWaalsContact O-N 3.17Å; V558-F560 PolarHBondContact O-N 2.77Å; V558-A561 PolarHBondContact O-N 3.41Å; V558-A561 VanDerWaalsContact O-N 3.16Å; V558-D562 PolarHBondContact O-N 3.35Å; V558-L571 HydrophobicContact CG2-CD1 4.5Å; V558-M575 HydrophobicContact CG2-SD 4.43Å; V558-W607 HydrophobicContact CG2-CE3 3.68Å; V558-W607 HydrophobicContact CG2-CZ3 3.68Å; V558-Q609 HydrophobicContact CG1-CB 4.4Å; V558-Q609 HydrophobicContact CG1-CG 3.81Å |
| 559 | N | 92.8 | Very high | 92.9 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -34.3 | -179.7 | -63.6 | -4.5 | 0 | 0 | 0 | 111.2 | K554 D562 R563 | K554-N559 PolarHBondContact O-N 3.36Å; N559-D562 PolarHBondContact O-N 2.85Å; N559-R563 VanDerWaalsContact O-CB 3.22Å; N559-R563 WeakPolarHBondContact O-CB 3.19Å; N559-R563 PolarHBondContact O-N 2.92Å |
| 560 | F | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.5 | -175.3 | -96 | 0 | 0 | 0 | 112.4 | V504 L509 P523 E526 I527 P555 T556 V558 D562 R563 Y564 I566 | V504-F560 HydrophobicContact CB-CD2 4.46Å; V504-F560 HydrophobicContact CG1-CB 3.93Å; V504-F560 HydrophobicContact CG1-CD2 3.29Å; V504-F560 HydrophobicContact CG1-CE2 3.87Å; V504-F560 HydrophobicContact CG1-CG 3.71Å; L509-F560 HydrophobicContact CD1-CE2 3.75Å; L509-F560 HydrophobicContact CD1-CZ 3.96Å; L509-F560 HydrophobicContact CD2-CE2 4.21Å; L509-F560 HydrophobicContact CD2-CZ 3.75Å; P523-F560 HydrophobicContact CB-CE1 4.13Å; P523-F560 HydrophobicContact CB-CZ 4.16Å; P523-F560 WeakPolarHBondContact O-CE1 3.43Å; E526-F560 HydrophobicContact CB-CZ 4.07Å; E526-F560 HydrophobicContact CG-CZ 4.25Å; I527-F560 HydrophobicContact CB-CD1 3.99Å; I527-F560 HydrophobicContact CB-CE1 3.93Å; I527-F560 HydrophobicContact CD1-CD1 4.23Å; I527-F560 HydrophobicContact CG1-CD1 4.19Å; P555-F560 PolarHBondContact O-N 3.48Å; T556-F560 WeakPolarHBondContact O-CB 3.45Å; V558-F560 PolarHBondContact O-N 2.77Å; F560-D562 VanDerWaalsContact C-N 3.35Å; F560-D562 PolarHBondContact O-N 3.1Å; F560-R563 PolarHBondContact O-N 2.9Å; F560-Y564 HydrophobicContact CD1-CD2 4.31Å; F560-Y564 AromaticContact CD2-CD2 3.59Å; F560-Y564 HydrophobicContact CD2-CD2 3.59Å; F560-Y564 AromaticContact CD2-CE2 3.55Å; F560-Y564 HydrophobicContact CD2-CE2 3.55Å; F560-Y564 HydrophobicContact CE1-CD2 4.09Å; F560-Y564 AromaticContact CE2-CD2 3.37Å; F560-Y564 HydrophobicContact CE2-CD2 3.37Å; F560-Y564 AromaticContact CE2-CE2 3.21Å; F560-Y564 HydrophobicContact CE2-CE2 3.21Å; F560-Y564 HydrophobicContact CE2-CG 4.5Å; F560-Y564 HydrophobicContact CG-CD2 4.09Å; F560-Y564 HydrophobicContact CG-CE2 4.47Å; F560-Y564 AromaticContact CZ-CD2 3.64Å; F560-Y564 HydrophobicContact CZ-CD2 3.64Å; F560-Y564 AromaticContact CZ-CE2 3.88Å; F560-Y564 HydrophobicContact CZ-CE2 3.88Å; F560-Y564 HydrophobicContact CZ-CG 4.43Å; F560-Y564 PolarHBondContact O-N 3.04Å; F560-Y564 VanDerWaalsContact O-N 3.07Å; F560-I566 HydrophobicContact CD1-CD1 3.81Å; F560-I566 HydrophobicContact CE1-CD1 3.73Å |
| 561 | A | 93.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I527 V557 V558 G565 I566 L571 | I527-A561 HydrophobicContact CD1-CB 4.15Å; V557-A561 WeakPolarHBondContact O-CB 3.47Å; V557-A561 PolarHBondContact O-N 3.32Å; V558-A561 PolarHBondContact O-N 3.41Å; V558-A561 VanDerWaalsContact O-N 3.16Å; A561-G565 PolarHBondContact O-N 2.82Å; A561-G565 VanDerWaalsContact O-N 3.08Å; A561-I566 HydrophobicContact CB-CB 3.98Å; A561-I566 PolarHBondContact O-N 2.8Å; A561-L571 HydrophobicContact CB-CB 4.31Å; A561-L571 HydrophobicContact CB-CD1 3.93Å; A561-L571 HydrophobicContact CB-CD2 4.25Å; A561-L571 HydrophobicContact CB-CG 4.39Å |
| 562 | D | 91.6 | Very high | 92.5 | Very high | 91 Ų | 91 | 44 Ų | 44 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.6 | -70.8 | -22.3 | 0 | 0 | 0 | 111.6 | V558 N559 F560 G565 Q609 | V558-D562 PolarHBondContact O-N 3.35Å; N559-D562 PolarHBondContact O-N 2.85Å; F560-D562 VanDerWaalsContact C-N 3.35Å; F560-D562 PolarHBondContact O-N 3.1Å; D562-G565 PolarHBondContact O-N 2.79Å; D562-Q609 PolarHBondContact OD2-NE2 2.84Å |
| 563 | R | 91.6 | Very high | 92.4 | Very high | 110 Ų | 110 | 48.8 Ų | 48.8 | 42% | 0.415 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -39.2 | -178.1 | -177.9 | 175.5 | 175.3 | -159.2 | -4.4 | 114 | T505 A506 P507 N559 F560 | T505-R563 PolarHBondContact O-NH1 3.29Å; T505-R563 VanDerWaalsContact O-NH1 3.1Å; A506-R563 VanDerWaalsContact O-CZ 3.24Å; A506-R563 PolarHBondContact O-NH1 2.58Å; A506-R563 PolarHBondContact O-NH2 3.06Å; P507-R563 PolarHBondContact O-NH2 3.1Å; N559-R563 VanDerWaalsContact O-CB 3.22Å; N559-R563 WeakPolarHBondContact O-CB 3.19Å; N559-R563 PolarHBondContact O-N 2.92Å; F560-R563 PolarHBondContact O-N 2.9Å |
| 564 | Y | 91.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 9.8 | -179 | -68.2 | -79 | 0 | 0 | 0 | 113.4 | L509 P523 F560 I566 | L509-Y564 HydrophobicContact CB-CE1 4.01Å; L509-Y564 WeakPolarHBondContact CB-OH 3.47Å; L509-Y564 PolarHBondContact N-OH 2.79Å; P523-Y564 HydrophobicContact CB-CD1 4.44Å; P523-Y564 HydrophobicContact CB-CG 4.06Å; P523-Y564 HydrophobicContact CG-CD1 3.93Å; P523-Y564 HydrophobicContact CG-CG 4.06Å; F560-Y564 HydrophobicContact CD1-CD2 4.31Å; F560-Y564 AromaticContact CD2-CD2 3.59Å; F560-Y564 HydrophobicContact CD2-CD2 3.59Å; F560-Y564 AromaticContact CD2-CE2 3.55Å; F560-Y564 HydrophobicContact CD2-CE2 3.55Å; F560-Y564 HydrophobicContact CE1-CD2 4.09Å; F560-Y564 AromaticContact CE2-CD2 3.37Å; F560-Y564 HydrophobicContact CE2-CD2 3.37Å; F560-Y564 AromaticContact CE2-CE2 3.21Å; F560-Y564 HydrophobicContact CE2-CE2 3.21Å; F560-Y564 HydrophobicContact CE2-CG 4.5Å; F560-Y564 HydrophobicContact CG-CD2 4.09Å; F560-Y564 HydrophobicContact CG-CE2 4.47Å; F560-Y564 AromaticContact CZ-CD2 3.64Å; F560-Y564 HydrophobicContact CZ-CD2 3.64Å; F560-Y564 AromaticContact CZ-CE2 3.88Å; F560-Y564 HydrophobicContact CZ-CE2 3.88Å; F560-Y564 HydrophobicContact CZ-CG 4.43Å; F560-Y564 PolarHBondContact O-N 3.04Å; F560-Y564 VanDerWaalsContact O-N 3.07Å; Y564-I566 VanDerWaalsContact C-N 3.32Å; Y564-I566 PolarHBondContact O-N 2.69Å |
| 565 | G | 90.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 64% | 0.639 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 36.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A561 D562 | A561-G565 PolarHBondContact O-N 2.82Å; A561-G565 VanDerWaalsContact O-N 3.08Å; D562-G565 PolarHBondContact O-N 2.79Å |
| 566 | I | 91.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | trans | -67.7 | 129.6 | -179.1 | -62.2 | -176.1 | 0 | 0 | 0 | 109 | P523 I527 F560 A561 Y564 R568 D570 | P523-I566 HydrophobicContact CB-CD1 4.21Å; P523-I566 HydrophobicContact CB-CG1 4.47Å; I527-I566 HydrophobicContact CB-CD1 4.02Å; I527-I566 HydrophobicContact CD1-CD1 3.86Å; I527-I566 HydrophobicContact CG2-CD1 3.88Å; F560-I566 HydrophobicContact CD1-CD1 3.81Å; F560-I566 HydrophobicContact CE1-CD1 3.73Å; A561-I566 HydrophobicContact CB-CB 3.98Å; A561-I566 PolarHBondContact O-N 2.8Å; Y564-I566 VanDerWaalsContact C-N 3.32Å; Y564-I566 PolarHBondContact O-N 2.69Å; I566-R568 PolarHBondContact O-N 2.91Å; I566-D570 HydrophobicContact CG2-CB 3.54Å | ||
| 567 | P | 90.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | trans | -56 | 140.5 | 179.1 | -26 | 34.8 | 0 | 0 | 0 | 112.1 | P569 D570 L571 | P567-P569 VanDerWaalsContact C-N 3.29Å; P567-P569 VanDerWaalsContact O-N 3.13Å; P567-D570 WeakPolarHBondContact O-CB 3.32Å; P567-D570 PolarHBondContact O-N 2.82Å; P567-L571 PolarHBondContact O-N 3.4Å | ||
| 568 | R | 89.5 | Confident | 92.4 | Very high | 123 Ų | 123 | 49.3 Ų | 49.3 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -49.5 | -38.8 | 178.6 | -67.5 | -128.9 | 178.6 | 119.4 | 4 | 114.9 | I566 D570 L571 Y572 | I566-R568 PolarHBondContact O-N 2.91Å; R568-D570 VanDerWaalsContact C-N 3.3Å; R568-D570 PolarHBondContact O-N 2.92Å; R568-L571 PolarHBondContact O-N 3.31Å; R568-Y572 HydrophobicContact CB-CE2 4.06Å; R568-Y572 WeakPolarHBondContact CD-OH 3.43Å; R568-Y572 WeakPolarHBondContact O-CD2 3.33Å; R568-Y572 VanDerWaalsContact O-CG 3.23Å; R568-Y572 PolarHBondContact O-N 3.02Å |
| 569 | P | 91 | Very high | 92.4 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 62% | 0.623 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.8 | -36.3 | 175.8 | -25.9 | 35.8 | 0 | 0 | 0 | 114.1 | P567 Y573 | P567-P569 VanDerWaalsContact C-N 3.29Å; P567-P569 VanDerWaalsContact O-N 3.13Å; P569-Y573 WeakPolarHBondContact O-CB 3.5Å; P569-Y573 PolarHBondContact O-N 2.88Å |
| 570 | D | 91.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 176.9 | -77.1 | -47 | 0 | 0 | 0 | 110.6 | K524 R528 I566 P567 R568 Y573 C574 | K524-D570 WeakPolarHBondContact CE-OD2 3.3Å; K524-D570 IonicContact NZ-OD2 2.58Å; K524-D570 PolarHBondContact NZ-OD2 3.4Å; R528-D570 IonicContact CZ-OD1 3.83Å; R528-D570 IonicContact NH2-OD1 3.96Å; R528-D570 PolarHBondContact NH2-OD1 3.39Å; I566-D570 HydrophobicContact CG2-CB 3.54Å; P567-D570 WeakPolarHBondContact O-CB 3.32Å; P567-D570 PolarHBondContact O-N 2.82Å; R568-D570 VanDerWaalsContact C-N 3.3Å; R568-D570 PolarHBondContact O-N 2.92Å; D570-Y573 WeakPolarHBondContact O-CB 3.08Å; D570-Y573 PolarHBondContact O-N 3.39Å; D570-C574 PolarHBondContact O-N 2.85Å; D570-C574 VanDerWaalsContact O-N 3.17Å; D570-C574 PolarHBondContact O-SG 3.43Å |
| 571 | L | 93 | Very high | 92.5 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 172.4 | 174.2 | 60.5 | 0 | 0 | 0 | 111.5 | V557 V558 A561 P567 R568 Y573 C574 M575 Q609 | V557-L571 HydrophobicContact CG1-CD1 3.77Å; V558-L571 HydrophobicContact CG2-CD1 4.5Å; A561-L571 HydrophobicContact CB-CB 4.31Å; A561-L571 HydrophobicContact CB-CD1 3.93Å; A561-L571 HydrophobicContact CB-CD2 4.25Å; A561-L571 HydrophobicContact CB-CG 4.39Å; P567-L571 PolarHBondContact O-N 3.4Å; R568-L571 PolarHBondContact O-N 3.31Å; L571-Y573 VanDerWaalsContact C-N 3.35Å; L571-Y573 PolarHBondContact O-N 3.48Å; L571-C574 WeakPolarHBondContact O-CB 3.42Å; L571-C574 PolarHBondContact O-N 3.36Å; L571-C574 VanDerWaalsContact O-N 3.11Å; L571-M575 HydrophobicContact CD1-CG 4.21Å; L571-M575 WeakPolarHBondContact O-CG 3.39Å; L571-M575 PolarHBondContact O-N 3.42Å; L571-Q609 HydrophobicContact CD2-CB 3.93Å; L571-Q609 HydrophobicContact CD2-CG 4.12Å |
| 572 | Y | 93 | Very high | 92.6 | Very high | 38 Ų | 38 | 49 Ų | 49 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 178.1 | -63 | -21.8 | 0 | 0 | 0 | 111.9 | R568 C574 M575 D576 Q609 Q612 N613 | R568-Y572 HydrophobicContact CB-CE2 4.06Å; R568-Y572 WeakPolarHBondContact CD-OH 3.43Å; R568-Y572 WeakPolarHBondContact O-CD2 3.33Å; R568-Y572 VanDerWaalsContact O-CG 3.23Å; R568-Y572 PolarHBondContact O-N 3.02Å; Y572-C574 VanDerWaalsContact C-N 3.26Å; Y572-C574 PolarHBondContact O-N 2.93Å; Y572-M575 PolarHBondContact O-N 3.42Å; Y572-D576 WeakPolarHBondContact O-CB 3.31Å; Y572-D576 PolarHBondContact O-N 3.33Å; Y572-Q609 WeakPolarHBondContact CE1-O 3.43Å; Y572-Q609 PolarHBondContact OH-O 3.13Å; Y572-Q612 WeakPolarHBondContact OH-CB 3.4Å; Y572-N613 HydrophobicContact CD1-CB 3.98Å; Y572-N613 HydrophobicContact CE1-CB 3.84Å |
| 573 | Y | 93.3 | Very high | 92.7 | Very high | 114 Ų | 114 | 44.7 Ų | 44.7 | 45% | 0.447 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.8 | -45 | 170.5 | 172.7 | -89.5 | 0 | 0 | 0 | 111.8 | R528 P569 D570 L571 K577 | R528-Y573 HydrophobicContact CG-CE1 4.38Å; P569-Y573 WeakPolarHBondContact O-CB 3.5Å; P569-Y573 PolarHBondContact O-N 2.88Å; D570-Y573 WeakPolarHBondContact O-CB 3.08Å; D570-Y573 PolarHBondContact O-N 3.39Å; L571-Y573 VanDerWaalsContact C-N 3.35Å; L571-Y573 PolarHBondContact O-N 3.48Å; Y573-K577 HydrophobicContact CE1-CG 4.47Å; Y573-K577 WeakPolarHBondContact O-CG 3.15Å; Y573-K577 PolarHBondContact O-N 2.94Å |
| 574 | C | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.9 | -69 | 0 | 0 | 0 | 0 | 111.9 | T531 V557 D570 L571 Y572 D576 K577 L578 | T531-C574 HydrophobicContact CG2-CB 4Å; T531-C574 WeakPolarHBondContact CG2-O 3.38Å; T531-C574 WeakPolarHBondContact OG1-CB 3.34Å; T531-C574 PolarHBondContact OG1-SG 3.39Å; V557-C574 HydrophobicContact CG1-CB 3.81Å; D570-C574 PolarHBondContact O-N 2.85Å; D570-C574 VanDerWaalsContact O-N 3.17Å; D570-C574 PolarHBondContact O-SG 3.43Å; L571-C574 WeakPolarHBondContact O-CB 3.42Å; L571-C574 PolarHBondContact O-N 3.36Å; L571-C574 VanDerWaalsContact O-N 3.11Å; Y572-C574 VanDerWaalsContact C-N 3.26Å; Y572-C574 PolarHBondContact O-N 2.93Å; C574-D576 VanDerWaalsContact C-N 3.31Å; C574-D576 PolarHBondContact O-N 2.81Å; C574-K577 PolarHBondContact O-N 3.38Å; C574-K577 VanDerWaalsContact O-N 3.1Å; C574-L578 PolarHBondContact O-N 3.4Å |
| 575 | M | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -35.3 | 178.8 | -65 | -52.1 | -65.6 | 0 | 0 | 112.6 | V553 V557 V558 L571 Y572 K577 L578 T579 M604 W607 M610 | V553-M575 HydrophobicContact CG1-CE 4.32Å; V553-M575 HydrophobicContact CG1-SD 4.48Å; V557-M575 HydrophobicContact CG1-SD 4.01Å; V558-M575 HydrophobicContact CG2-SD 4.43Å; L571-M575 HydrophobicContact CD1-CG 4.21Å; L571-M575 WeakPolarHBondContact O-CG 3.39Å; L571-M575 PolarHBondContact O-N 3.42Å; Y572-M575 PolarHBondContact O-N 3.42Å; M575-K577 PolarHBondContact O-N 3.1Å; M575-L578 PolarHBondContact O-N 2.94Å; M575-T579 WeakPolarHBondContact O-CB 3.35Å; M575-T579 PolarHBondContact O-N 3.27Å; M575-T579 PolarHBondContact O-OG1 3.43Å; M575-M604 HydrophobicContact CE-CE 3.44Å; M575-M604 VanDerWaalsContact CE-CE 3.44Å; M575-M604 HydrophobicContact CE-SD 4.48Å; M575-W607 HydrophobicContact CE-CZ3 4.06Å; M575-M610 HydrophobicContact CB-SD 4.27Å; M575-M610 HydrophobicContact CE-CE 4.05Å; M575-M610 HydrophobicContact CE-SD 3.75Å; M575-M610 HydrophobicContact CG-SD 3.91Å |
| 576 | D | 92.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -20.9 | 176.2 | -71.2 | -8.3 | 0 | 0 | 0 | 112.9 | Y572 C574 P580 T615 | Y572-D576 WeakPolarHBondContact O-CB 3.31Å; Y572-D576 PolarHBondContact O-N 3.33Å; C574-D576 VanDerWaalsContact C-N 3.31Å; C574-D576 PolarHBondContact O-N 2.81Å; D576-P580 WeakPolarHBondContact O-CD 3.37Å; D576-P580 WeakPolarHBondContact O-CG 3.3Å; D576-T615 WeakPolarHBondContact OD1-CB 3.46Å; D576-T615 PolarHBondContact OD1-OG1 3.48Å |
| 577 | K | 93.9 | Very high | 93.3 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -85.9 | -29.1 | 174.3 | -62 | -53.1 | 178.7 | -168.4 | 0 | 113.3 | T531 Y573 C574 M575 | T531-K577 HydrophobicContact CG2-CB 3.96Å; Y573-K577 HydrophobicContact CE1-CG 4.47Å; Y573-K577 WeakPolarHBondContact O-CG 3.15Å; Y573-K577 PolarHBondContact O-N 2.94Å; C574-K577 PolarHBondContact O-N 3.38Å; C574-K577 VanDerWaalsContact O-N 3.1Å; M575-K577 PolarHBondContact O-N 3.1Å |
| 578 | L | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -92.5 | -43.7 | -177.1 | -57.1 | 178.6 | 0 | 0 | 0 | 112 | T531 L534 R535 L538 V553 V557 C574 M575 V581 I582 | T531-L578 HydrophobicContact CG2-CD1 4.35Å; T531-L578 HydrophobicContact CG2-CD2 4Å; T531-L578 HydrophobicContact CG2-CG 3.99Å; L534-L578 HydrophobicContact CB-CD2 4.02Å; R535-L578 HydrophobicContact CB-CD2 3.86Å; L538-L578 HydrophobicContact CD1-CB 4.08Å; L538-L578 HydrophobicContact CD1-CD2 3.82Å; L538-L578 HydrophobicContact CD1-CG 4.42Å; V553-L578 HydrophobicContact CG1-CD1 4.09Å; V553-L578 HydrophobicContact CG2-CD1 4.45Å; V557-L578 HydrophobicContact CG2-CD1 4.01Å; C574-L578 PolarHBondContact O-N 3.4Å; M575-L578 PolarHBondContact O-N 2.94Å; L578-V581 WeakPolarHBondContact O-CB 3.44Å; L578-V581 PolarHBondContact O-N 3.41Å; L578-I582 PolarHBondContact O-N 3.11Å; L578-I582 VanDerWaalsContact O-N 3.17Å |
| 579 | T | 93.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.9 | -50.2 | -173.7 | -60.9 | 0 | 0 | 0 | 0 | 113 | M575 V581 I582 F583 M604 F616 | M575-T579 WeakPolarHBondContact O-CB 3.35Å; M575-T579 PolarHBondContact O-N 3.27Å; M575-T579 PolarHBondContact O-OG1 3.43Å; T579-V581 PolarHBondContact O-N 3.02Å; T579-I582 PolarHBondContact O-N 3.19Å; T579-I582 VanDerWaalsContact O-N 3.17Å; T579-F583 HydrophobicContact CG2-CD2 3.55Å; T579-F583 HydrophobicContact CG2-CE2 3.53Å; T579-F583 WeakPolarHBondContact O-CD2 3.48Å; T579-F583 PolarHBondContact O-N 3.47Å; T579-M604 WeakPolarHBondContact OG1-CE 3.48Å; T579-F616 HydrophobicContact CG2-CD2 3.63Å; T579-F616 HydrophobicContact CG2-CE2 4.33Å |
| 580 | P | 92.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 40% | 0.403 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.4 | -30.3 | -179.9 | -23.2 | 35.4 | 0 | 0 | 0 | 113.4 | D576 Q584 | D576-P580 WeakPolarHBondContact O-CD 3.37Å; D576-P580 WeakPolarHBondContact O-CG 3.3Å; P580-Q584 WeakPolarHBondContact O-CB 3.23Å; P580-Q584 PolarHBondContact O-N 3.46Å |
| 581 | V | 94.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -47.7 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 110 | R535 L538 N539 L578 T579 F583 Q584 R585 | R535-V581 HydrophobicContact CG-CG2 4.01Å; L538-V581 HydrophobicContact CB-CG1 3.69Å; N539-V581 VanDerWaalsContact CG-CG1 3.5Å; N539-V581 VanDerWaalsContact ND2-CG1 3.31Å; N539-V581 WeakPolarHBondContact ND2-CG1 3.3Å; N539-V581 WeakPolarHBondContact OD1-CG1 3.41Å; L578-V581 WeakPolarHBondContact O-CB 3.44Å; L578-V581 PolarHBondContact O-N 3.41Å; T579-V581 PolarHBondContact O-N 3.02Å; V581-F583 PolarHBondContact O-N 2.67Å; V581-Q584 WeakPolarHBondContact O-CB 3.36Å; V581-Q584 PolarHBondContact O-N 2.73Å; V581-Q584 VanDerWaalsContact O-N 3.15Å; V581-R585 WeakPolarHBondContact O-CG 3.47Å; V581-R585 PolarHBondContact O-N 3.47Å |
| 582 | I | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 179.1 | -57.1 | 171.3 | 0 | 0 | 0 | 110.1 | L538 L578 T579 Q584 R585 T586 A597 Q600 I601 M604 | L538-I582 HydrophobicContact CD1-CD1 4.13Å; L538-I582 HydrophobicContact CD1-CG1 3.93Å; L538-I582 HydrophobicContact CD2-CG1 4.21Å; L578-I582 PolarHBondContact O-N 3.11Å; L578-I582 VanDerWaalsContact O-N 3.17Å; T579-I582 PolarHBondContact O-N 3.19Å; T579-I582 VanDerWaalsContact O-N 3.17Å; I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 2.96Å; I582-R585 PolarHBondContact O-N 2.92Å; I582-T586 PolarHBondContact O-N 3.45Å; I582-A597 HydrophobicContact CG2-CB 4.34Å; I582-Q600 HydrophobicContact CD1-CG 4.15Å; I582-Q600 HydrophobicContact CG2-CB 4.34Å; I582-Q600 HydrophobicContact CG2-CG 4.24Å; I582-I601 HydrophobicContact CG2-CD1 4.09Å; I582-I601 HydrophobicContact CG2-CG1 3.79Å; I582-M604 HydrophobicContact CD1-CE 4.48Å; I582-M604 HydrophobicContact CD1-SD 3.74Å |
| 583 | F | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 173.4 | -89.5 | -75.9 | 0 | 0 | 0 | 112.4 | T579 V581 R585 T586 I601 F616 E619 L620 L632 R636 L639 | T579-F583 HydrophobicContact CG2-CD2 3.55Å; T579-F583 HydrophobicContact CG2-CE2 3.53Å; T579-F583 WeakPolarHBondContact O-CD2 3.48Å; T579-F583 PolarHBondContact O-N 3.47Å; V581-F583 PolarHBondContact O-N 2.67Å; F583-R585 VanDerWaalsContact C-N 3.27Å; F583-R585 PolarHBondContact O-N 3.27Å; F583-T586 WeakPolarHBondContact O-CB 3.42Å; F583-T586 PolarHBondContact O-N 2.81Å; F583-T586 VanDerWaalsContact O-N 3.15Å; F583-T586 PolarHBondContact O-OG1 3.35Å; F583-I601 HydrophobicContact CD1-CD1 3.7Å; F583-I601 HydrophobicContact CD2-CD1 4.23Å; F583-I601 HydrophobicContact CE1-CD1 3.82Å; F583-I601 HydrophobicContact CE1-CG2 4.16Å; F583-I601 HydrophobicContact CE2-CD1 4.34Å; F583-I601 HydrophobicContact CE2-CG1 4.47Å; F583-I601 HydrophobicContact CE2-CG2 4.43Å; F583-I601 HydrophobicContact CG-CD1 3.92Å; F583-I601 HydrophobicContact CZ-CD1 4.14Å; F583-I601 HydrophobicContact CZ-CG1 4.43Å; F583-I601 HydrophobicContact CZ-CG2 3.81Å; F583-F616 HydrophobicContact CE2-CD2 4.22Å; F583-F616 HydrophobicContact CE2-CE2 4.06Å; F583-F616 HydrophobicContact CZ-CE2 4.39Å; F583-E619 HydrophobicContact CD2-CG 4.18Å; F583-E619 HydrophobicContact CE2-CG 4.49Å; F583-E619 HydrophobicContact CG-CG 4.48Å; F583-L620 HydrophobicContact CE1-CB 4.38Å; F583-L620 HydrophobicContact CE1-CD1 3.73Å; F583-L620 HydrophobicContact CZ-CB 3.98Å; F583-L620 HydrophobicContact CZ-CD1 3.9Å; F583-L632 WeakPolarHBondContact O-CD1 3.49Å; F583-R636 HydrophobicContact CD1-CG 4.39Å; F583-L639 HydrophobicContact CE1-CD1 4.36Å |
| 584 | Q | 94 | Very high | 93.7 | Very high | 102 Ų | 102 | 40 Ų | 40 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.7 | -36 | 176.5 | -175.1 | 62.8 | 34.6 | 0 | 0 | 112.1 | P580 V581 I582 T586 G587 | P580-Q584 WeakPolarHBondContact O-CB 3.23Å; P580-Q584 PolarHBondContact O-N 3.46Å; V581-Q584 WeakPolarHBondContact O-CB 3.36Å; V581-Q584 PolarHBondContact O-N 2.73Å; V581-Q584 VanDerWaalsContact O-N 3.15Å; I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 2.96Å; Q584-T586 VanDerWaalsContact C-N 3.26Å; Q584-T586 PolarHBondContact O-N 3.45Å; Q584-G587 PolarHBondContact O-N 2.85Å; Q584-G587 VanDerWaalsContact O-N 3.11Å |
| 585 | R | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -16.9 | 177.1 | -60.4 | -53.6 | -66.6 | -90.1 | 9.1 | 113.7 | L538 D540 F546 V581 I582 F583 G587 D588 V593 A597 | L538-R585 PolarHBondContact O-NH1 2.83Å; D540-R585 PolarHBondContact O-NH1 3.39Å; D540-R585 PolarHBondContact O-NH2 2.84Å; F546-R585 HydrophobicContact CD2-CG 4.48Å; F546-R585 HydrophobicContact CE2-CB 4.07Å; F546-R585 HydrophobicContact CE2-CG 3.69Å; F546-R585 HydrophobicContact CZ-CB 3.88Å; F546-R585 HydrophobicContact CZ-CG 4.05Å; V581-R585 WeakPolarHBondContact O-CG 3.47Å; V581-R585 PolarHBondContact O-N 3.47Å; I582-R585 PolarHBondContact O-N 2.92Å; F583-R585 VanDerWaalsContact C-N 3.27Å; F583-R585 PolarHBondContact O-N 3.27Å; R585-G587 PolarHBondContact O-N 3.12Å; R585-D588 IonicContact CZ-OD2 3.02Å; R585-D588 IonicContact NE-OD2 3.89Å; R585-D588 PolarHBondContact NE-OD2 3Å; R585-D588 IonicContact NH2-OD2 3Å; R585-D588 PolarHBondContact NH2-OD2 3.32Å; R585-D588 WeakPolarHBondContact O-CB 3.37Å; R585-D588 PolarHBondContact O-N 3.4Å; R585-D588 VanDerWaalsContact O-N 3.14Å; R585-V593 HydrophobicContact CB-CG1 4.16Å; R585-A597 HydrophobicContact CB-CB 3.96Å |
| 586 | T | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | 168.4 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | I582 F583 Q584 R594 A597 K598 I601 L632 S635 L639 | I582-T586 PolarHBondContact O-N 3.45Å; F583-T586 WeakPolarHBondContact O-CB 3.42Å; F583-T586 PolarHBondContact O-N 2.81Å; F583-T586 VanDerWaalsContact O-N 3.15Å; F583-T586 PolarHBondContact O-OG1 3.35Å; Q584-T586 VanDerWaalsContact C-N 3.26Å; Q584-T586 PolarHBondContact O-N 3.45Å; T586-R594 WeakPolarHBondContact O-CD 3.23Å; T586-R594 WeakPolarHBondContact O-CG 3.16Å; T586-A597 HydrophobicContact CG2-CB 3.86Å; T586-K598 HydrophobicContact CG2-CG 4.28Å; T586-I601 HydrophobicContact CG2-CD1 3.42Å; T586-I601 VanDerWaalsContact CG2-CD1 3.42Å; T586-L632 VanDerWaalsContact OG1-CD1 3.32Å; T586-L632 WeakPolarHBondContact OG1-CD1 3.27Å; T586-S635 PolarHBondContact O-OG 2.67Å; T586-L639 HydrophobicContact CG2-CD1 4.12Å |
| 587 | G | 93 | Very high | 94 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q584 R585 | Q584-G587 PolarHBondContact O-N 2.85Å; Q584-G587 VanDerWaalsContact O-N 3.11Å; R585-G587 PolarHBondContact O-N 3.12Å |
| 588 | D | 93.6 | Very high | 94 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | trans | -63.3 | 156 | -176.1 | -162 | -67.8 | 0 | 0 | 0 | 112.2 | R585 S590 V593 R594 | R585-D588 IonicContact CZ-OD2 3.02Å; R585-D588 IonicContact NE-OD2 3.89Å; R585-D588 PolarHBondContact NE-OD2 3Å; R585-D588 IonicContact NH2-OD2 3Å; R585-D588 PolarHBondContact NH2-OD2 3.32Å; R585-D588 WeakPolarHBondContact O-CB 3.37Å; R585-D588 PolarHBondContact O-N 3.4Å; R585-D588 VanDerWaalsContact O-N 3.14Å; D588-S590 VanDerWaalsContact C-N 3.32Å; D588-S590 PolarHBondContact OD1-N 3.25Å; D588-V593 HydrophobicContact CB-CB 4.03Å; D588-V593 HydrophobicContact CB-CG1 3.7Å; D588-R594 HydrophobicContact CB-CG 4.16Å; D588-R594 WeakPolarHBondContact O-CD 3.3Å; D588-R594 VanDerWaalsContact O-CG 3.28Å; D588-R594 WeakPolarHBondContact O-CG 3.13Å; D588-R594 PolarHBondContact O-NH1 3.36Å | ||
| 589 | T | 92.4 | Very high | 94 | Very high | 108 Ų | 108 | 45.9 Ų | 45.9 | 66% | 0.663 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -68.8 | -35.1 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | R594 | T589-R594 PolarHBondContact O-NH1 2.81Š|
| 590 | S | 91 | Very high | 94.1 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -74.5 | 121.4 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | D588 R592 V593 R594 | D588-S590 VanDerWaalsContact C-N 3.32Å; D588-S590 PolarHBondContact OD1-N 3.25Å; S590-R592 VanDerWaalsContact C-N 3.3Å; S590-R592 PolarHBondContact O-N 3.03Å; S590-V593 PolarHBondContact O-N 3.23Å; S590-R594 WeakPolarHBondContact O-CG 3.43Å; S590-R594 PolarHBondContact O-N 3.19Å; S590-R594 VanDerWaalsContact O-N 3.11Å |
| 591 | S | 91.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | V593 R594 E595 | S591-V593 VanDerWaalsContact C-N 3.33Å; S591-V593 PolarHBondContact O-N 3.48Å; S591-R594 WeakPolarHBondContact O-CB 3.34Å; S591-R594 PolarHBondContact O-N 3.19Å; S591-E595 PolarHBondContact O-N 2.86Å |
| 592 | R | 94.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 43.6 Ų | 43.6 | 62% | 0.619 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.2 | -41.3 | 177.8 | -63.2 | -172.5 | -176.1 | 112.9 | -2.7 | 112.3 | L543 S590 I596 | L543-R592 HydrophobicContact CD2-CB 4.27Å; S590-R592 VanDerWaalsContact C-N 3.3Å; S590-R592 PolarHBondContact O-N 3.03Å; R592-I596 WeakPolarHBondContact O-CD1 3.49Å; R592-I596 WeakPolarHBondContact O-CG1 3.47Å; R592-I596 PolarHBondContact O-N 3.07Å |
| 593 | V | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L543 F546 R585 D588 S590 S591 E595 A597 | L543-V593 HydrophobicContact CD1-CG2 3.76Å; F546-V593 HydrophobicContact CD1-CG1 4.04Å; F546-V593 HydrophobicContact CE1-CG1 3.8Å; F546-V593 HydrophobicContact CZ-CG1 4.26Å; R585-V593 HydrophobicContact CB-CG1 4.16Å; D588-V593 HydrophobicContact CB-CB 4.03Å; D588-V593 HydrophobicContact CB-CG1 3.7Å; S590-V593 PolarHBondContact O-N 3.23Å; S591-V593 VanDerWaalsContact C-N 3.33Å; S591-V593 PolarHBondContact O-N 3.48Å; V593-E595 VanDerWaalsContact C-N 3.34Å; V593-E595 PolarHBondContact O-N 3.26Å; V593-A597 VanDerWaalsContact O-CB 3.29Å; V593-A597 WeakPolarHBondContact O-CB 3.42Å; V593-A597 PolarHBondContact O-N 3.35Å |
| 594 | R | 94 | Very high | 93.9 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.4 | -66.2 | -163.6 | -60.6 | -80.1 | 1.4 | 111.7 | T586 D588 T589 S590 S591 A597 K598 | T586-R594 WeakPolarHBondContact O-CD 3.23Å; T586-R594 WeakPolarHBondContact O-CG 3.16Å; D588-R594 HydrophobicContact CB-CG 4.16Å; D588-R594 WeakPolarHBondContact O-CD 3.3Å; D588-R594 VanDerWaalsContact O-CG 3.28Å; D588-R594 WeakPolarHBondContact O-CG 3.13Å; D588-R594 PolarHBondContact O-NH1 3.36Å; T589-R594 PolarHBondContact O-NH1 2.81Å; S590-R594 WeakPolarHBondContact O-CG 3.43Å; S590-R594 PolarHBondContact O-N 3.19Å; S590-R594 VanDerWaalsContact O-N 3.11Å; S591-R594 WeakPolarHBondContact O-CB 3.34Å; S591-R594 PolarHBondContact O-N 3.19Å; R594-A597 PolarHBondContact O-N 3.25Å; R594-K598 WeakPolarHBondContact O-CB 3.46Å; R594-K598 VanDerWaalsContact O-CG 3.32Å; R594-K598 WeakPolarHBondContact O-CG 3.46Å; R594-K598 PolarHBondContact O-N 3.26Å |
| 595 | E | 93.8 | Very high | 93.7 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -46.1 | -177.8 | -161.5 | 55.3 | -143.4 | 0 | 0 | 111.9 | S591 V593 A597 K598 Q599 | S591-E595 PolarHBondContact O-N 2.86Å; V593-E595 VanDerWaalsContact C-N 3.34Å; V593-E595 PolarHBondContact O-N 3.26Å; E595-A597 VanDerWaalsContact C-N 3.32Å; E595-A597 PolarHBondContact O-N 2.89Å; E595-K598 WeakPolarHBondContact O-CB 3.31Å; E595-K598 PolarHBondContact O-N 3.38Å; E595-Q599 PolarHBondContact O-N 2.96Å |
| 596 | I | 95 | Very high | 93.5 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.205 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.5 | -63.6 | 169 | 0 | 0 | 0 | 111 | L543 F546 R547 R592 Q600 | L543-I596 HydrophobicContact CD1-CD1 3.89Å; F546-I596 HydrophobicContact CD1-CG2 4.39Å; F546-I596 HydrophobicContact CE1-CB 4.23Å; F546-I596 HydrophobicContact CE1-CG2 3.94Å; R547-I596 HydrophobicContact CG-CD1 3.56Å; R547-I596 VanDerWaalsContact NE-CD1 3.28Å; R592-I596 WeakPolarHBondContact O-CD1 3.49Å; R592-I596 WeakPolarHBondContact O-CG1 3.47Å; R592-I596 PolarHBondContact O-N 3.07Å; I596-Q600 VanDerWaalsContact O-CB 3.26Å; I596-Q600 WeakPolarHBondContact O-CB 3.35Å; I596-Q600 PolarHBondContact O-N 3.24Å |
| 597 | A | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F546 I582 R585 T586 V593 R594 E595 I601 | F546-A597 HydrophobicContact CE1-CB 4.47Å; F546-A597 HydrophobicContact CZ-CB 4.06Å; I582-A597 HydrophobicContact CG2-CB 4.34Å; R585-A597 HydrophobicContact CB-CB 3.96Å; T586-A597 HydrophobicContact CG2-CB 3.86Å; V593-A597 VanDerWaalsContact O-CB 3.29Å; V593-A597 WeakPolarHBondContact O-CB 3.42Å; V593-A597 PolarHBondContact O-N 3.35Å; R594-A597 PolarHBondContact O-N 3.25Å; E595-A597 VanDerWaalsContact C-N 3.32Å; E595-A597 PolarHBondContact O-N 2.89Å; A597-I601 WeakPolarHBondContact O-CD1 3.43Å; A597-I601 WeakPolarHBondContact O-CG1 3.49Å; A597-I601 PolarHBondContact O-N 2.65Å; A597-I601 VanDerWaalsContact O-N 3.16Å |
| 598 | K | 95.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -52.4 | 175.5 | -77.2 | 174.9 | 171.8 | -172.3 | 0 | 110.9 | T586 R594 E595 Q600 I601 L602 S635 E638 L639 | T586-K598 HydrophobicContact CG2-CG 4.28Å; R594-K598 WeakPolarHBondContact O-CB 3.46Å; R594-K598 VanDerWaalsContact O-CG 3.32Å; R594-K598 WeakPolarHBondContact O-CG 3.46Å; R594-K598 PolarHBondContact O-N 3.26Å; E595-K598 WeakPolarHBondContact O-CB 3.31Å; E595-K598 PolarHBondContact O-N 3.38Å; K598-Q600 VanDerWaalsContact C-N 3.28Å; K598-Q600 PolarHBondContact O-N 3.18Å; K598-I601 WeakPolarHBondContact O-CB 3.39Å; K598-I601 PolarHBondContact O-N 2.84Å; K598-L602 WeakPolarHBondContact O-CG 3.4Å; K598-L602 PolarHBondContact O-N 3.36Å; K598-S635 VanDerWaalsContact CE-CB 3.46Å; K598-S635 WeakPolarHBondContact CE-OG 3.3Å; K598-E638 WeakPolarHBondContact CE-OE2 3.44Å; K598-E638 IonicContact NZ-OE2 3.87Å; K598-E638 PolarHBondContact NZ-OE2 3.41Å; K598-L639 HydrophobicContact CB-CD2 4.03Å; K598-L639 HydrophobicContact CG-CD1 4.31Å; K598-L639 HydrophobicContact CG-CD2 4.23Å; K598-L639 HydrophobicContact CG-CG 4.21Å |
| 599 | Q | 94.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 177.6 | -171.8 | 59.8 | 47.3 | 0 | 0 | 111.4 | E595 I601 L602 D603 | E595-Q599 PolarHBondContact O-N 2.96Å; Q599-I601 VanDerWaalsContact C-N 3.29Å; Q599-I601 PolarHBondContact O-N 2.88Å; Q599-L602 WeakPolarHBondContact O-CB 3.4Å; Q599-L602 PolarHBondContact O-N 2.91Å; Q599-D603 PolarHBondContact NE2-OD1 2.99Å; Q599-D603 VanDerWaalsContact O-CG 3.27Å; Q599-D603 PolarHBondContact O-N 2.85Å |
| 600 | Q | 95.5 | Very high | 92.2 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 177.1 | -176.5 | 59.4 | 57.2 | 0 | 0 | 112.9 | T550 I582 I596 K598 M604 | T550-Q600 HydrophobicContact CG2-CB 4.45Å; T550-Q600 HydrophobicContact CG2-CG 4.15Å; T550-Q600 PolarHBondContact O-OE1 2.6Å; I582-Q600 HydrophobicContact CD1-CG 4.15Å; I582-Q600 HydrophobicContact CG2-CB 4.34Å; I582-Q600 HydrophobicContact CG2-CG 4.24Å; I596-Q600 VanDerWaalsContact O-CB 3.26Å; I596-Q600 WeakPolarHBondContact O-CB 3.35Å; I596-Q600 PolarHBondContact O-N 3.24Å; K598-Q600 VanDerWaalsContact C-N 3.28Å; K598-Q600 PolarHBondContact O-N 3.18Å; Q600-M604 HydrophobicContact CG-SD 4.1Å; Q600-M604 WeakPolarHBondContact O-CB 3.15Å; Q600-M604 WeakPolarHBondContact O-CG 3.39Å; Q600-M604 PolarHBondContact O-N 3.41Å |
| 601 | I | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -41 | 176.1 | -70.1 | 162.6 | 0 | 0 | 0 | 111 | I582 F583 T586 A597 K598 Q599 D603 M604 A605 F616 L639 | I582-I601 HydrophobicContact CG2-CD1 4.09Å; I582-I601 HydrophobicContact CG2-CG1 3.79Å; F583-I601 HydrophobicContact CD1-CD1 3.7Å; F583-I601 HydrophobicContact CD2-CD1 4.23Å; F583-I601 HydrophobicContact CE1-CD1 3.82Å; F583-I601 HydrophobicContact CE1-CG2 4.16Å; F583-I601 HydrophobicContact CE2-CD1 4.34Å; F583-I601 HydrophobicContact CE2-CG1 4.47Å; F583-I601 HydrophobicContact CE2-CG2 4.43Å; F583-I601 HydrophobicContact CG-CD1 3.92Å; F583-I601 HydrophobicContact CZ-CD1 4.14Å; F583-I601 HydrophobicContact CZ-CG1 4.43Å; F583-I601 HydrophobicContact CZ-CG2 3.81Å; T586-I601 HydrophobicContact CG2-CD1 3.42Å; T586-I601 VanDerWaalsContact CG2-CD1 3.42Å; A597-I601 WeakPolarHBondContact O-CD1 3.43Å; A597-I601 WeakPolarHBondContact O-CG1 3.49Å; A597-I601 PolarHBondContact O-N 2.65Å; A597-I601 VanDerWaalsContact O-N 3.16Å; K598-I601 WeakPolarHBondContact O-CB 3.39Å; K598-I601 PolarHBondContact O-N 2.84Å; Q599-I601 VanDerWaalsContact C-N 3.29Å; Q599-I601 PolarHBondContact O-N 2.88Å; I601-D603 VanDerWaalsContact C-N 3.35Å; I601-M604 PolarHBondContact O-N 2.95Å; I601-A605 WeakPolarHBondContact O-CB 3.39Å; I601-A605 PolarHBondContact O-N 2.83Å; I601-F616 HydrophobicContact CG2-CE2 4.2Å; I601-F616 HydrophobicContact CG2-CZ 3.98Å; I601-L639 HydrophobicContact CB-CD1 4.35Å; I601-L639 HydrophobicContact CB-CD2 4.26Å; I601-L639 HydrophobicContact CD1-CD1 3.81Å; I601-L639 HydrophobicContact CG2-CD1 4.12Å; I601-L639 HydrophobicContact CG2-CD2 4.18Å |
| 602 | L | 93.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.6 | -64.9 | 170.4 | 0 | 0 | 0 | 111 | K598 Q599 A605 Q606 L639 E642 L643 | K598-L602 WeakPolarHBondContact O-CG 3.4Å; K598-L602 PolarHBondContact O-N 3.36Å; Q599-L602 WeakPolarHBondContact O-CB 3.4Å; Q599-L602 PolarHBondContact O-N 2.91Å; L602-A605 WeakPolarHBondContact O-CB 3.4Å; L602-A605 PolarHBondContact O-N 2.77Å; L602-Q606 PolarHBondContact O-N 3Å; L602-L639 HydrophobicContact CD1-CD2 4.37Å; L602-L639 HydrophobicContact CD2-CD2 3.79Å; L602-L639 HydrophobicContact CG-CD2 3.74Å; L602-E642 HydrophobicContact CD1-CG 4.27Å; L602-E642 VanDerWaalsContact CD1-OE1 3.27Å; L602-E642 WeakPolarHBondContact CD1-OE1 3.46Å; L602-E642 WeakPolarHBondContact CD1-OE2 3.37Å; L602-E642 HydrophobicContact CD2-CB 4.2Å; L602-E642 HydrophobicContact CD2-CG 4Å; L602-L643 HydrophobicContact CD2-CD2 3.85Å; L602-L643 HydrophobicContact CD2-CG 3.8Å |
| 603 | D | 92.7 | Very high | 90.8 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 176 | -68.6 | -8.4 | 0 | 0 | 0 | 111.3 | Q599 I601 A605 Q606 W607 | Q599-D603 PolarHBondContact NE2-OD1 2.99Å; Q599-D603 VanDerWaalsContact O-CG 3.27Å; Q599-D603 PolarHBondContact O-N 2.85Å; I601-D603 VanDerWaalsContact C-N 3.35Å; D603-A605 VanDerWaalsContact C-N 3.27Å; D603-A605 PolarHBondContact O-N 3.22Å; D603-Q606 WeakPolarHBondContact O-CB 3.39Å; D603-Q606 PolarHBondContact O-N 3.12Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; D603-W607 PolarHBondContact O-N 3.22Å; D603-W607 PolarHBondContact O-NE1 2.84Å |
| 604 | M | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 176 | -78.6 | 169.6 | 61 | 0 | 0 | 112.1 | M575 T579 I582 Q600 I601 Q606 W607 M610 F616 | M575-M604 HydrophobicContact CE-CE 3.44Å; M575-M604 VanDerWaalsContact CE-CE 3.44Å; M575-M604 HydrophobicContact CE-SD 4.48Å; T579-M604 WeakPolarHBondContact OG1-CE 3.48Å; I582-M604 HydrophobicContact CD1-CE 4.48Å; I582-M604 HydrophobicContact CD1-SD 3.74Å; Q600-M604 HydrophobicContact CG-SD 4.1Å; Q600-M604 WeakPolarHBondContact O-CB 3.15Å; Q600-M604 WeakPolarHBondContact O-CG 3.39Å; Q600-M604 PolarHBondContact O-N 3.41Å; I601-M604 PolarHBondContact O-N 2.95Å; M604-Q606 PolarHBondContact O-N 3.03Å; M604-W607 HydrophobicContact CB-CE3 4.39Å; M604-W607 HydrophobicContact CB-CZ3 4.39Å; M604-W607 HydrophobicContact CG-CD2 4.47Å; M604-W607 HydrophobicContact CG-CE3 4.02Å; M604-W607 HydrophobicContact CG-CH2 3.5Å; M604-W607 VanDerWaalsContact CG-CH2 3.5Å; M604-W607 HydrophobicContact CG-CZ2 3.95Å; M604-W607 HydrophobicContact CG-CZ3 3.55Å; M604-W607 WeakPolarHBondContact O-CB 3.32Å; M604-W607 PolarHBondContact O-N 3.13Å; M604-M610 HydrophobicContact CE-CE 4.1Å; M604-M610 VanDerWaalsContact O-CB 3.25Å; M604-M610 WeakPolarHBondContact O-CB 3.43Å; M604-M610 VanDerWaalsContact O-CG 3.3Å; M604-M610 WeakPolarHBondContact O-CG 3.49Å; M604-F616 HydrophobicContact CB-CE2 4.1Å; M604-F616 HydrophobicContact CB-CZ 4.33Å; M604-F616 HydrophobicContact CE-CD2 4.1Å; M604-F616 HydrophobicContact CE-CE2 3.94Å |
| 605 | A | 90.4 | Very high | 90 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -23.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I601 L602 D603 F616 W617 L643 R647 | I601-A605 WeakPolarHBondContact O-CB 3.39Å; I601-A605 PolarHBondContact O-N 2.83Å; L602-A605 WeakPolarHBondContact O-CB 3.4Å; L602-A605 PolarHBondContact O-N 2.77Å; D603-A605 VanDerWaalsContact C-N 3.27Å; D603-A605 PolarHBondContact O-N 3.22Å; A605-F616 HydrophobicContact CB-CE1 3.99Å; A605-F616 HydrophobicContact CB-CZ 4.03Å; A605-W617 HydrophobicContact CB-CH2 3.8Å; A605-W617 HydrophobicContact CB-CZ3 4.37Å; A605-L643 HydrophobicContact CB-CD1 4.29Å; A605-L643 HydrophobicContact CB-CD2 3.4Å; A605-L643 VanDerWaalsContact CB-CD2 3.4Å; A605-R647 PolarHBondContact O-NH1 3.06Å |
| 606 | Q | 89 | Confident | 89.8 | Confident | 132 Ų | 132 | 40 Ų | 40 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -81.9 | -18.5 | 176.1 | -63.3 | 180 | 20.9 | 0 | 0 | 113 | L602 D603 M604 | L602-Q606 PolarHBondContact O-N 3Å; D603-Q606 WeakPolarHBondContact O-CB 3.39Å; D603-Q606 PolarHBondContact O-N 3.12Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; M604-Q606 PolarHBondContact O-N 3.03Å |
| 607 | W | 90.1 | Very high | 89.6 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -66.7 | 131 | -177.7 | -61.4 | -8.5 | 0 | 0 | 0 | 111.8 | V553 K554 V558 M575 D603 M604 Q609 M610 | V553-W607 HydrophobicContact CB-CH2 4.45Å; V553-W607 HydrophobicContact CG1-CH2 4.03Å; V553-W607 HydrophobicContact CG1-CZ3 4.16Å; K554-W607 HydrophobicContact CB-CH2 3.7Å; K554-W607 HydrophobicContact CB-CZ2 3.59Å; K554-W607 HydrophobicContact CB-CZ3 4.4Å; K554-W607 HydrophobicContact CD-CZ2 3.94Å; K554-W607 HydrophobicContact CG-CD2 4.48Å; K554-W607 HydrophobicContact CG-CH2 4.29Å; K554-W607 HydrophobicContact CG-CZ2 3.94Å; V558-W607 HydrophobicContact CG2-CE3 3.68Å; V558-W607 HydrophobicContact CG2-CZ3 3.68Å; M575-W607 HydrophobicContact CE-CZ3 4.06Å; D603-W607 PolarHBondContact O-N 3.22Å; D603-W607 PolarHBondContact O-NE1 2.84Å; M604-W607 HydrophobicContact CB-CE3 4.39Å; M604-W607 HydrophobicContact CB-CZ3 4.39Å; M604-W607 HydrophobicContact CG-CD2 4.47Å; M604-W607 HydrophobicContact CG-CE3 4.02Å; M604-W607 HydrophobicContact CG-CH2 3.5Å; M604-W607 VanDerWaalsContact CG-CH2 3.5Å; M604-W607 HydrophobicContact CG-CZ2 3.95Å; M604-W607 HydrophobicContact CG-CZ3 3.55Å; M604-W607 WeakPolarHBondContact O-CB 3.32Å; M604-W607 PolarHBondContact O-N 3.13Å; W607-Q609 PolarHBondContact O-N 3.23Å; W607-Q609 VanDerWaalsContact O-N 3.12Å; W607-M610 HydrophobicContact CB-CB 4.46Å; W607-M610 HydrophobicContact CB-CG 4.17Å; W607-M610 HydrophobicContact CE3-CG 4.14Å; W607-M610 PolarHBondContact O-N 3.01Å |
| 608 | P | 86.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 40.8 Ų | 40.8 | 58% | 0.578 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.9 | 180 | -27.2 | 34.1 | 0 | 0 | 0 | 113.9 | M610 K611 | P608-M610 VanDerWaalsContact C-N 3.32Å; P608-M610 PolarHBondContact O-N 2.98Å; P608-K611 PolarHBondContact O-N 2.86Å |
| 609 | Q | 85.8 | Confident | 88.9 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.2 | -177.7 | -57 | 80.9 | -3.5 | 0 | 0 | 112 | V558 D562 L571 Y572 W607 | V558-Q609 HydrophobicContact CG1-CB 4.4Å; V558-Q609 HydrophobicContact CG1-CG 3.81Å; D562-Q609 PolarHBondContact OD2-NE2 2.84Å; L571-Q609 HydrophobicContact CD2-CB 3.93Å; L571-Q609 HydrophobicContact CD2-CG 4.12Å; Y572-Q609 WeakPolarHBondContact CE1-O 3.43Å; Y572-Q609 PolarHBondContact OH-O 3.13Å; W607-Q609 PolarHBondContact O-N 3.23Å; W607-Q609 VanDerWaalsContact O-N 3.12Å |
| 610 | M | 85.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -82.7 | -16.6 | -178.4 | -65.9 | -60.2 | -71.8 | 0 | 0 | 113.2 | M575 M604 W607 P608 Q612 N613 F616 W617 | M575-M610 HydrophobicContact CB-SD 4.27Å; M575-M610 HydrophobicContact CE-CE 4.05Å; M575-M610 HydrophobicContact CE-SD 3.75Å; M575-M610 HydrophobicContact CG-SD 3.91Å; M604-M610 HydrophobicContact CE-CE 4.1Å; M604-M610 VanDerWaalsContact O-CB 3.25Å; M604-M610 WeakPolarHBondContact O-CB 3.43Å; M604-M610 VanDerWaalsContact O-CG 3.3Å; M604-M610 WeakPolarHBondContact O-CG 3.49Å; W607-M610 HydrophobicContact CB-CB 4.46Å; W607-M610 HydrophobicContact CB-CG 4.17Å; W607-M610 HydrophobicContact CE3-CG 4.14Å; W607-M610 PolarHBondContact O-N 3.01Å; P608-M610 VanDerWaalsContact C-N 3.32Å; P608-M610 PolarHBondContact O-N 2.98Å; M610-Q612 PolarHBondContact O-N 2.85Å; M610-Q612 VanDerWaalsContact O-N 3.14Å; M610-N613 HydrophobicContact CE-CB 4.35Å; M610-N613 PolarHBondContact O-N 2.85Å; M610-N613 HydrophobicContact SD-CB 4.29Å; M610-F616 HydrophobicContact CE-CB 3.49Å; M610-F616 VanDerWaalsContact CE-CB 3.49Å; M610-F616 HydrophobicContact CE-CD1 4.2Å; M610-F616 HydrophobicContact CE-CD2 3.35Å; M610-F616 HydrophobicContact CE-CE2 4.14Å; M610-F616 HydrophobicContact CE-CG 3.41Å; M610-F616 VanDerWaalsContact CE-CG 3.41Å; M610-W617 PolarHBondContact O-NE1 2.85Å |
| 611 | K | 80.8 | Confident | 88.5 | Confident | 100 Ų | 100 | 37 Ų | 37 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -55.4 | -33.9 | 178.6 | -66 | -169.3 | 177.5 | -176.6 | 0 | 113.4 | P608 | P608-K611 PolarHBondContact O-N 2.86Š|
| 612 | Q | 80.6 | Confident | 88.2 | Confident | 123 Ų | 123 | 43.7 Ų | 43.7 | 58% | 0.575 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -100.8 | 2 | -179.4 | -65.4 | 178.1 | -3.1 | 0 | 0 | 113.2 | Y572 M610 T614 | Y572-Q612 WeakPolarHBondContact OH-CB 3.4Å; M610-Q612 PolarHBondContact O-N 2.85Å; M610-Q612 VanDerWaalsContact O-N 3.14Å; Q612-T614 PolarHBondContact O-N 3.19Å |
| 613 | N | 84.5 | Confident | 88 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -84.2 | 94.5 | -179.5 | -170.6 | -0.6 | 0 | 0 | 0 | 110.7 | Y572 M610 T615 F616 | Y572-N613 HydrophobicContact CD1-CB 3.98Å; Y572-N613 HydrophobicContact CE1-CB 3.84Å; M610-N613 HydrophobicContact CE-CB 4.35Å; M610-N613 PolarHBondContact O-N 2.85Å; M610-N613 HydrophobicContact SD-CB 4.29Å; N613-T615 VanDerWaalsContact C-N 3.26Å; N613-T615 PolarHBondContact O-N 3.16Å; N613-T615 PolarHBondContact OD1-N 2.92Å; N613-T615 PolarHBondContact OD1-OG1 3.33Å; N613-F616 HydrophobicContact CB-CB 4.4Å; N613-F616 PolarHBondContact O-N 2.96Å | ||
| 614 | T | 84.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -28.5 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | Q612 S618 | Q612-T614 PolarHBondContact O-N 3.19Å; T614-S618 WeakPolarHBondContact O-CB 3.29Å; T614-S618 PolarHBondContact O-N 3.3Å; T614-S618 PolarHBondContact O-OG 2.9Å; T614-S618 VanDerWaalsContact O-OG 3.12Å |
| 615 | T | 86.6 | Confident | 87.6 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -42.3 | -179.4 | 60.3 | 0 | 0 | 0 | 0 | 111 | D576 N613 S618 E619 | D576-T615 WeakPolarHBondContact OD1-CB 3.46Å; D576-T615 PolarHBondContact OD1-OG1 3.48Å; N613-T615 VanDerWaalsContact C-N 3.26Å; N613-T615 PolarHBondContact O-N 3.16Å; N613-T615 PolarHBondContact OD1-N 2.92Å; N613-T615 PolarHBondContact OD1-OG1 3.33Å; T615-S618 WeakPolarHBondContact CA-OG 3.46Å; T615-S618 PolarHBondContact O-N 3.19Å; T615-S618 PolarHBondContact O-OG 2.95Å; T615-E619 WeakPolarHBondContact O-CB 3.48Å; T615-E619 PolarHBondContact O-N 3.46Å |
| 616 | F | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 177.8 | 172.6 | -93.9 | 0 | 0 | 0 | 111.4 | T579 F583 I601 M604 A605 M610 N613 E619 L620 | T579-F616 HydrophobicContact CG2-CD2 3.63Å; T579-F616 HydrophobicContact CG2-CE2 4.33Å; F583-F616 HydrophobicContact CE2-CD2 4.22Å; F583-F616 HydrophobicContact CE2-CE2 4.06Å; F583-F616 HydrophobicContact CZ-CE2 4.39Å; I601-F616 HydrophobicContact CG2-CE2 4.2Å; I601-F616 HydrophobicContact CG2-CZ 3.98Å; M604-F616 HydrophobicContact CB-CE2 4.1Å; M604-F616 HydrophobicContact CB-CZ 4.33Å; M604-F616 HydrophobicContact CE-CD2 4.1Å; M604-F616 HydrophobicContact CE-CE2 3.94Å; A605-F616 HydrophobicContact CB-CE1 3.99Å; A605-F616 HydrophobicContact CB-CZ 4.03Å; M610-F616 HydrophobicContact CE-CB 3.49Å; M610-F616 VanDerWaalsContact CE-CB 3.49Å; M610-F616 HydrophobicContact CE-CD1 4.2Å; M610-F616 HydrophobicContact CE-CD2 3.35Å; M610-F616 HydrophobicContact CE-CE2 4.14Å; M610-F616 HydrophobicContact CE-CG 3.41Å; M610-F616 VanDerWaalsContact CE-CG 3.41Å; N613-F616 HydrophobicContact CB-CB 4.4Å; N613-F616 PolarHBondContact O-N 2.96Å; F616-E619 PolarHBondContact O-N 3.06Å; F616-L620 PolarHBondContact O-N 3.44Å; F616-L620 VanDerWaalsContact O-N 3.13Å |
| 617 | W | 89.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 180 | -62.3 | 113.1 | 0 | 0 | 0 | 111.9 | A605 M610 E619 L620 V621 L643 G663 F665 | A605-W617 HydrophobicContact CB-CH2 3.8Å; A605-W617 HydrophobicContact CB-CZ3 4.37Å; M610-W617 PolarHBondContact O-NE1 2.85Å; W617-E619 VanDerWaalsContact C-N 3.31Å; W617-E619 PolarHBondContact O-N 2.72Å; W617-L620 HydrophobicContact CE3-CD2 4.04Å; W617-L620 HydrophobicContact CZ3-CD2 4.2Å; W617-L620 WeakPolarHBondContact O-CB 3.46Å; W617-L620 PolarHBondContact O-N 2.99Å; W617-V621 WeakPolarHBondContact O-CG2 3.48Å; W617-V621 PolarHBondContact O-N 2.83Å; W617-L643 HydrophobicContact CZ3-CD1 4.34Å; W617-G663 WeakPolarHBondContact CB-O 3.41Å; W617-F665 HydrophobicContact CD2-CB 4.32Å; W617-F665 HydrophobicContact CE3-CB 3.85Å; W617-F665 AromaticContact CE3-CD2 3.87Å; W617-F665 HydrophobicContact CE3-CD2 3.87Å; W617-F665 HydrophobicContact CE3-CG 4.15Å; W617-F665 HydrophobicContact CZ3-CB 4.17Å; W617-F665 HydrophobicContact CZ3-CD2 4.02Å; W617-F665 HydrophobicContact CZ3-CG 4.18Å |
| 618 | S | 87.9 | Confident | 87.2 | Confident | 54 Ų | 54 | 53 Ų | 53 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -32.3 | 176.4 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | T614 T615 R622 | T614-S618 WeakPolarHBondContact O-CB 3.29Å; T614-S618 PolarHBondContact O-N 3.3Å; T614-S618 PolarHBondContact O-OG 2.9Å; T614-S618 VanDerWaalsContact O-OG 3.12Å; T615-S618 WeakPolarHBondContact CA-OG 3.46Å; T615-S618 PolarHBondContact O-N 3.19Å; T615-S618 PolarHBondContact O-OG 2.95Å; S618-R622 WeakPolarHBondContact O-CB 3.19Å; S618-R622 PolarHBondContact O-N 2.9Å |
| 619 | E | 89 | Confident | 87.5 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.6 | -34.3 | 176.4 | -174.4 | 59.9 | -151.3 | 0 | 0 | 111.2 | F583 T615 F616 W617 R622 R636 | F583-E619 HydrophobicContact CD2-CG 4.18Å; F583-E619 HydrophobicContact CE2-CG 4.49Å; F583-E619 HydrophobicContact CG-CG 4.48Å; T615-E619 WeakPolarHBondContact O-CB 3.48Å; T615-E619 PolarHBondContact O-N 3.46Å; F616-E619 PolarHBondContact O-N 3.06Å; W617-E619 VanDerWaalsContact C-N 3.31Å; W617-E619 PolarHBondContact O-N 2.72Å; E619-R622 WeakPolarHBondContact O-CB 3.25Å; E619-R622 IonicContact OE2-NH1 2.74Å; E619-R622 PolarHBondContact OE2-NH1 3.5Å; E619-R636 IonicContact OE1-CZ 3.12Å; E619-R636 IonicContact OE1-NH1 3.76Å; E619-R636 IonicContact OE1-NH2 2.86Å; E619-R636 PolarHBondContact OE1-NH2 3.5Å |
| 620 | L | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -47 | 175.6 | 179.9 | 69.2 | 0 | 0 | 0 | 112.2 | F583 F616 W617 R622 L639 V640 L643 F665 | F583-L620 HydrophobicContact CE1-CB 4.38Å; F583-L620 HydrophobicContact CE1-CD1 3.73Å; F583-L620 HydrophobicContact CZ-CB 3.98Å; F583-L620 HydrophobicContact CZ-CD1 3.9Å; F616-L620 PolarHBondContact O-N 3.44Å; F616-L620 VanDerWaalsContact O-N 3.13Å; W617-L620 HydrophobicContact CE3-CD2 4.04Å; W617-L620 HydrophobicContact CZ3-CD2 4.2Å; W617-L620 WeakPolarHBondContact O-CB 3.46Å; W617-L620 PolarHBondContact O-N 2.99Å; L620-R622 VanDerWaalsContact C-N 3.34Å; L620-L639 HydrophobicContact CD1-CB 4.04Å; L620-V640 HydrophobicContact CD1-CG2 3.86Å; L620-V640 HydrophobicContact CD2-CG2 4.21Å; L620-V640 HydrophobicContact CG-CG2 3.7Å; L620-L643 HydrophobicContact CD1-CD1 4.26Å; L620-L643 HydrophobicContact CD2-CD1 3.37Å; L620-L643 HydrophobicContact CG-CD1 4.47Å; L620-F665 HydrophobicContact CD2-CD2 4.03Å; L620-F665 HydrophobicContact CD2-CE2 3.81Å |
| 621 | V | 91.3 | Very high | 88.2 | Confident | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 18 | -178.7 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | W617 P623 V640 F665 A669 F673 | W617-V621 WeakPolarHBondContact O-CG2 3.48Å; W617-V621 PolarHBondContact O-N 2.83Å; V621-P623 WeakPolarHBondContact O-CD 3.2Å; V621-V640 HydrophobicContact CG1-CG2 4.49Å; V621-F665 HydrophobicContact CG1-CD2 4.37Å; V621-A669 HydrophobicContact CG2-CB 4.11Å; V621-F673 VanDerWaalsContact C-CD2 3.45Å; V621-F673 HydrophobicContact CB-CB 4.14Å; V621-F673 HydrophobicContact CB-CG 4.25Å; V621-F673 VanDerWaalsContact O-CD2 3.23Å; V621-F673 WeakPolarHBondContact O-CD2 3.25Å |
| 622 | R | 88.5 | Confident | 88.8 | Confident | 141 Ų | 141 | 56.7 Ų | 56.7 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 124.9 | -179.5 | -168.8 | 176 | -171.3 | 165.6 | 2.9 | 110.6 | S618 E619 L620 F624 F673 | S618-R622 WeakPolarHBondContact O-CB 3.19Å; S618-R622 PolarHBondContact O-N 2.9Å; E619-R622 WeakPolarHBondContact O-CB 3.25Å; E619-R622 IonicContact OE2-NH1 2.74Å; E619-R622 PolarHBondContact OE2-NH1 3.5Å; L620-R622 VanDerWaalsContact C-N 3.34Å; R622-F624 PolarHBondContact O-N 3.28Å; R622-F673 WeakPolarHBondContact O-CE2 3.45Å |
| 623 | P | 87.7 | Confident | 89.5 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 140.9 | 175.2 | -27.2 | 35.8 | 0 | 0 | 0 | 113 | V621 K676 | V621-P623 WeakPolarHBondContact O-CD 3.2Å; P623-K676 HydrophobicContact CB-CD 3.59Å; P623-K676 HydrophobicContact CG-CD 3.69Å |
| 624 | F | 89.7 | Confident | 89.9 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 139.6 | -179.3 | -53.2 | -44.7 | 0 | 0 | 0 | 111.7 | R622 T628 A633 R636 F673 C677 V685 | R622-F624 PolarHBondContact O-N 3.28Å; F624-T628 HydrophobicContact CB-CG2 4.38Å; F624-T628 HydrophobicContact CD1-CG2 4.17Å; F624-T628 HydrophobicContact CG-CG2 4.48Å; F624-A633 HydrophobicContact CD1-CB 4.38Å; F624-A633 HydrophobicContact CD2-CB 3.83Å; F624-A633 HydrophobicContact CE1-CB 4.25Å; F624-A633 HydrophobicContact CE2-CB 3.64Å; F624-A633 HydrophobicContact CG-CB 4.19Å; F624-A633 HydrophobicContact CZ-CB 3.88Å; F624-A633 WeakPolarHBondContact CZ-O 3.45Å; F624-R636 HydrophobicContact CE1-CB 3.96Å; F624-R636 HydrophobicContact CE1-CG 4.46Å; F624-R636 HydrophobicContact CZ-CB 4.02Å; F624-F673 AromaticContact CE1-CE2 3.87Å; F624-F673 HydrophobicContact CE1-CE2 3.87Å; F624-F673 HydrophobicContact CE1-CZ 4.05Å; F624-F673 HydrophobicContact CE2-CE2 4.27Å; F624-F673 HydrophobicContact CE2-CZ 4.18Å; F624-F673 AromaticContact CZ-CE2 3.72Å; F624-F673 HydrophobicContact CZ-CE2 3.72Å; F624-F673 AromaticContact CZ-CZ 3.53Å; F624-F673 HydrophobicContact CZ-CZ 3.53Å; F624-C677 WeakPolarHBondContact CE2-SG 3.26Å; F624-V685 HydrophobicContact CE2-CG1 4.26Å |
| 625 | S | 87.3 | Confident | 90.4 | Very high | 62 Ų | 62 | 49.2 Ų | 49.2 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 155.4 | 162.9 | 79.2 | 0 | 0 | 0 | 0 | 109.9 | V627 T628 | S625-V627 PolarHBondContact O-N 3.45Å; S625-V627 PolarHBondContact OG-N 2.9Å; S625-T628 WeakPolarHBondContact CA-OG1 3.22Å; S625-T628 PolarHBondContact N-OG1 3.48Å; S625-T628 VanDerWaalsContact O-CB 3.28Å; S625-T628 WeakPolarHBondContact O-CB 3.32Å; S625-T628 PolarHBondContact O-N 2.68Å; S625-T628 PolarHBondContact O-OG1 3.24Å; S625-T628 PolarHBondContact OG-N 2.76Å; S625-T628 PolarHBondContact OG-OG1 3.26Å |
| 626 | P | 83.7 | Confident | 90.7 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 75% | 0.747 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.3 | 172.7 | -23.8 | 33.5 | 0 | 0 | 0 | 113.9 | R681 | P626-R681 PolarHBondContact O-NH1 3.38Š|
| 627 | V | 89.7 | Confident | 90.9 | Very high | 126 Ų | 126 | 47.9 Ų | 47.9 | 76% | 0.764 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5.7 | -178.8 | -166.4 | 0 | 0 | 0 | 0 | 112 | S625 L629 | S625-V627 PolarHBondContact O-N 3.45Å; S625-V627 PolarHBondContact OG-N 2.9Å; V627-L629 PolarHBondContact O-N 3.12Å |
| 628 | T | 89.4 | Confident | 91.1 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -59.6 | 135.2 | 178.7 | -46.1 | 0 | 0 | 0 | 0 | 110 | F624 S625 L632 R681 | F624-T628 HydrophobicContact CB-CG2 4.38Å; F624-T628 HydrophobicContact CD1-CG2 4.17Å; F624-T628 HydrophobicContact CG-CG2 4.48Å; S625-T628 WeakPolarHBondContact CA-OG1 3.22Å; S625-T628 PolarHBondContact N-OG1 3.48Å; S625-T628 VanDerWaalsContact O-CB 3.28Å; S625-T628 WeakPolarHBondContact O-CB 3.32Å; S625-T628 PolarHBondContact O-N 2.68Å; S625-T628 PolarHBondContact O-OG1 3.24Å; S625-T628 PolarHBondContact OG-N 2.76Å; S625-T628 PolarHBondContact OG-OG1 3.26Å; T628-L632 HydrophobicContact CG2-CB 4.44Å; T628-L632 HydrophobicContact CG2-CD2 4.06Å; T628-L632 HydrophobicContact CG2-CG 4.34Å; T628-R681 PolarHBondContact O-NH2 3.36Å |
| 629 | L | 92.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | trans | -66.9 | 140 | 178.8 | -65.5 | 174.3 | 0 | 0 | 0 | 111 | V627 R631 L632 A633 | V627-L629 PolarHBondContact O-N 3.12Å; L629-R631 VanDerWaalsContact C-N 3.3Å; L629-R631 PolarHBondContact O-N 3.26Å; L629-L632 HydrophobicContact CB-CB 4.21Å; L629-L632 WeakPolarHBondContact O-CB 3.38Å; L629-L632 PolarHBondContact O-N 3Å; L629-A633 PolarHBondContact O-N 2.83Å | ||
| 630 | D | 93.7 | Very high | 91.7 | Very high | 60 Ų | 60 | 47 Ų | 47 | 32% | 0.321 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.1 | -40.2 | -176.1 | -60.9 | -16.7 | 0 | 0 | 0 | 112.2 | L632 A633 L634 H680 R681 | D630-L632 VanDerWaalsContact C-N 3.33Å; D630-L632 PolarHBondContact O-N 3.07Å; D630-A633 PolarHBondContact O-N 3.1Å; D630-L634 WeakPolarHBondContact O-CB 3.44Å; D630-L634 PolarHBondContact O-N 3.48Å; D630-H680 IonicContact OD1-CE1 3.42Å; D630-H680 PolarHBondContact OD1-CE1 3.43Å; D630-R681 IonicContact OD1-CZ 3.07Å; D630-R681 IonicContact OD1-NE 2.65Å; D630-R681 PolarHBondContact OD1-NE 3.45Å; D630-R681 IonicContact OD1-NH2 2.73Å; D630-R681 PolarHBondContact OD1-NH2 3.21Å; D630-R681 IonicContact OD2-NE 3.58Å |
| 631 | R | 93.1 | Very high | 91.7 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 48% | 0.475 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 175.3 | -74.6 | -179.6 | -90.8 | -170.3 | -6.7 | 113.6 | L629 S635 | L629-R631 VanDerWaalsContact C-N 3.3Å; L629-R631 PolarHBondContact O-N 3.26Å; R631-S635 WeakPolarHBondContact O-CB 3.39Å; R631-S635 PolarHBondContact O-N 2.97Å; R631-S635 PolarHBondContact O-OG 3.28Å |
| 632 | L | 93.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73 | -40 | 178 | -178.9 | 62.7 | 0 | 0 | 0 | 110.6 | F583 T586 T628 L629 D630 R636 | F583-L632 WeakPolarHBondContact O-CD1 3.49Å; T586-L632 VanDerWaalsContact OG1-CD1 3.32Å; T586-L632 WeakPolarHBondContact OG1-CD1 3.27Å; T628-L632 HydrophobicContact CG2-CB 4.44Å; T628-L632 HydrophobicContact CG2-CD2 4.06Å; T628-L632 HydrophobicContact CG2-CG 4.34Å; L629-L632 HydrophobicContact CB-CB 4.21Å; L629-L632 WeakPolarHBondContact O-CB 3.38Å; L629-L632 PolarHBondContact O-N 3Å; D630-L632 VanDerWaalsContact C-N 3.33Å; D630-L632 PolarHBondContact O-N 3.07Å; L632-R636 WeakPolarHBondContact O-CB 3.23Å; L632-R636 WeakPolarHBondContact O-CG 3.46Å; L632-R636 PolarHBondContact O-N 3.16Å; L632-R636 VanDerWaalsContact O-N 3.12Å |
| 633 | A | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F624 L629 D630 R636 I637 V685 | F624-A633 HydrophobicContact CD1-CB 4.38Å; F624-A633 HydrophobicContact CD2-CB 3.83Å; F624-A633 HydrophobicContact CE1-CB 4.25Å; F624-A633 HydrophobicContact CE2-CB 3.64Å; F624-A633 HydrophobicContact CG-CB 4.19Å; F624-A633 HydrophobicContact CZ-CB 3.88Å; F624-A633 WeakPolarHBondContact CZ-O 3.45Å; L629-A633 PolarHBondContact O-N 2.83Å; D630-A633 PolarHBondContact O-N 3.1Å; A633-R636 PolarHBondContact O-N 3.07Å; A633-I637 PolarHBondContact O-N 3.48Å; A633-I637 VanDerWaalsContact O-N 3.12Å; A633-V685 HydrophobicContact CB-CG1 4.47Å; A633-V685 HydrophobicContact CB-CG2 4Å |
| 634 | L | 94.3 | Very high | 92 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 176.5 | -177 | 61.1 | 0 | 0 | 0 | 111.6 | D630 R636 I637 E638 E684 V685 A688 | D630-L634 WeakPolarHBondContact O-CB 3.44Å; D630-L634 PolarHBondContact O-N 3.48Å; L634-R636 VanDerWaalsContact C-N 3.27Å; L634-R636 PolarHBondContact O-N 2.89Å; L634-I637 HydrophobicContact CD1-CG2 4.33Å; L634-I637 WeakPolarHBondContact O-CG2 3.29Å; L634-I637 PolarHBondContact O-N 3.05Å; L634-E638 HydrophobicContact CD1-CG 4.33Å; L634-E638 WeakPolarHBondContact O-CG 3.38Å; L634-E638 PolarHBondContact O-N 2.85Å; L634-E684 HydrophobicContact CD1-CB 4.08Å; L634-E684 HydrophobicContact CD2-CB 4.2Å; L634-V685 HydrophobicContact CB-CG2 4.07Å; L634-A688 HydrophobicContact CD1-CB 4.42Å |
| 635 | S | 94.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -35.3 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | T586 K598 R631 L639 | T586-S635 PolarHBondContact O-OG 2.67Å; K598-S635 VanDerWaalsContact CE-CB 3.46Å; K598-S635 WeakPolarHBondContact CE-OG 3.3Å; R631-S635 WeakPolarHBondContact O-CB 3.39Å; R631-S635 PolarHBondContact O-N 2.97Å; R631-S635 PolarHBondContact O-OG 3.28Å; S635-L639 WeakPolarHBondContact O-CB 3.39Å; S635-L639 VanDerWaalsContact O-CG 3.25Å; S635-L639 WeakPolarHBondContact O-CG 3.25Å; S635-L639 PolarHBondContact O-N 3.21Å |
| 636 | R | 93.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -41.9 | 177 | -76.7 | 175.2 | 176.3 | -163.2 | -8.8 | 112.4 | F583 E619 F624 L632 A633 L634 L639 V640 | F583-R636 HydrophobicContact CD1-CG 4.39Å; E619-R636 IonicContact OE1-CZ 3.12Å; E619-R636 IonicContact OE1-NH1 3.76Å; E619-R636 IonicContact OE1-NH2 2.86Å; E619-R636 PolarHBondContact OE1-NH2 3.5Å; F624-R636 HydrophobicContact CE1-CB 3.96Å; F624-R636 HydrophobicContact CE1-CG 4.46Å; F624-R636 HydrophobicContact CZ-CB 4.02Å; L632-R636 WeakPolarHBondContact O-CB 3.23Å; L632-R636 WeakPolarHBondContact O-CG 3.46Å; L632-R636 PolarHBondContact O-N 3.16Å; L632-R636 VanDerWaalsContact O-N 3.12Å; A633-R636 PolarHBondContact O-N 3.07Å; L634-R636 VanDerWaalsContact C-N 3.27Å; L634-R636 PolarHBondContact O-N 2.89Å; R636-L639 PolarHBondContact O-N 3.41Å; R636-V640 VanDerWaalsContact O-CG2 3.31Å; R636-V640 WeakPolarHBondContact O-CG2 3.29Å; R636-V640 PolarHBondContact O-N 3.01Å |
| 637 | I | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -33.9 | 178.8 | -166.8 | 161.6 | 0 | 0 | 0 | 112.5 | A633 L634 V640 T641 F673 C677 A688 A689 L692 | A633-I637 PolarHBondContact O-N 3.48Å; A633-I637 VanDerWaalsContact O-N 3.12Å; L634-I637 HydrophobicContact CD1-CG2 4.33Å; L634-I637 WeakPolarHBondContact O-CG2 3.29Å; L634-I637 PolarHBondContact O-N 3.05Å; I637-V640 PolarHBondContact O-N 2.65Å; I637-T641 WeakPolarHBondContact O-CB 3.06Å; I637-T641 PolarHBondContact O-N 2.91Å; I637-T641 PolarHBondContact O-OG1 3.46Å; I637-F673 HydrophobicContact CG1-CE1 4.44Å; I637-C677 HydrophobicContact CD1-CB 3.7Å; I637-A688 HydrophobicContact CD1-CB 4.29Å; I637-A688 HydrophobicContact CG1-CB 4.32Å; I637-A688 HydrophobicContact CG2-CB 3.7Å; I637-A689 VanDerWaalsContact CD1-CA 3.4Å; I637-A689 HydrophobicContact CD1-CB 3.45Å; I637-A689 VanDerWaalsContact CD1-CB 3.45Å; I637-L692 HydrophobicContact CG1-CD2 4.4Å |
| 638 | E | 94.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 170.8 | -70.7 | 169.8 | 155.6 | 0 | 0 | 111 | K598 L634 V640 T641 E642 | K598-E638 WeakPolarHBondContact CE-OE2 3.44Å; K598-E638 IonicContact NZ-OE2 3.87Å; K598-E638 PolarHBondContact NZ-OE2 3.41Å; L634-E638 HydrophobicContact CD1-CG 4.33Å; L634-E638 WeakPolarHBondContact O-CG 3.38Å; L634-E638 PolarHBondContact O-N 2.85Å; E638-V640 VanDerWaalsContact C-N 3.33Å; E638-V640 PolarHBondContact O-N 3.09Å; E638-T641 WeakPolarHBondContact O-CB 3.24Å; E638-T641 PolarHBondContact O-N 3.32Å; E638-T641 VanDerWaalsContact O-N 3.1Å; E638-E642 WeakPolarHBondContact O-CB 3.39Å; E638-E642 PolarHBondContact O-N 2.9Å |
| 639 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 174.8 | -78.5 | 168.4 | 0 | 0 | 0 | 112.4 | F583 T586 K598 I601 L602 L620 S635 R636 T641 E642 L643 | F583-L639 HydrophobicContact CE1-CD1 4.36Å; T586-L639 HydrophobicContact CG2-CD1 4.12Å; K598-L639 HydrophobicContact CB-CD2 4.03Å; K598-L639 HydrophobicContact CG-CD1 4.31Å; K598-L639 HydrophobicContact CG-CD2 4.23Å; K598-L639 HydrophobicContact CG-CG 4.21Å; I601-L639 HydrophobicContact CB-CD1 4.35Å; I601-L639 HydrophobicContact CB-CD2 4.26Å; I601-L639 HydrophobicContact CD1-CD1 3.81Å; I601-L639 HydrophobicContact CG2-CD1 4.12Å; I601-L639 HydrophobicContact CG2-CD2 4.18Å; L602-L639 HydrophobicContact CD1-CD2 4.37Å; L602-L639 HydrophobicContact CD2-CD2 3.79Å; L602-L639 HydrophobicContact CG-CD2 3.74Å; L620-L639 HydrophobicContact CD1-CB 4.04Å; S635-L639 WeakPolarHBondContact O-CB 3.39Å; S635-L639 VanDerWaalsContact O-CG 3.25Å; S635-L639 WeakPolarHBondContact O-CG 3.25Å; S635-L639 PolarHBondContact O-N 3.21Å; R636-L639 PolarHBondContact O-N 3.41Å; L639-T641 VanDerWaalsContact C-N 3.34Å; L639-E642 PolarHBondContact O-N 3.25Å; L639-L643 VanDerWaalsContact O-CB 3.31Å; L639-L643 WeakPolarHBondContact O-CB 3.42Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.43Å |
| 640 | V | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L620 V621 R636 I637 E638 L643 Y644 F665 L670 F673 L692 | L620-V640 HydrophobicContact CD1-CG2 3.86Å; L620-V640 HydrophobicContact CD2-CG2 4.21Å; L620-V640 HydrophobicContact CG-CG2 3.7Å; V621-V640 HydrophobicContact CG1-CG2 4.49Å; R636-V640 VanDerWaalsContact O-CG2 3.31Å; R636-V640 WeakPolarHBondContact O-CG2 3.29Å; R636-V640 PolarHBondContact O-N 3.01Å; I637-V640 PolarHBondContact O-N 2.65Å; E638-V640 VanDerWaalsContact C-N 3.33Å; E638-V640 PolarHBondContact O-N 3.09Å; V640-L643 PolarHBondContact O-N 3.2Å; V640-Y644 VanDerWaalsContact O-CB 3.31Å; V640-Y644 WeakPolarHBondContact O-CB 3.5Å; V640-Y644 PolarHBondContact O-N 3.06Å; V640-F665 HydrophobicContact CG1-CE2 4.31Å; V640-F665 HydrophobicContact CG1-CZ 4.43Å; V640-L670 HydrophobicContact CG1-CD2 3.28Å; V640-F673 HydrophobicContact CB-CE1 4.26Å; V640-F673 HydrophobicContact CG1-CD1 4.43Å; V640-F673 HydrophobicContact CG1-CE1 4.38Å; V640-F673 HydrophobicContact CG2-CD1 4.34Å; V640-F673 HydrophobicContact CG2-CE1 3.8Å; V640-F673 HydrophobicContact CG2-CZ 4.39Å; V640-L692 HydrophobicContact CB-CD2 4.44Å; V640-L692 HydrophobicContact CG1-CD2 3.66Å |
| 641 | T | 93 | Very high | 88.8 | Confident | 23 Ų | 23 | 33.1 Ų | 33.1 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | L366 I637 E638 L639 Y644 A645 L692 | L366-T641 HydrophobicContact CD1-CG2 3.72Å; L366-T641 HydrophobicContact CD2-CG2 3.92Å; L366-T641 HydrophobicContact CG-CG2 4.4Å; I637-T641 WeakPolarHBondContact O-CB 3.06Å; I637-T641 PolarHBondContact O-N 2.91Å; I637-T641 PolarHBondContact O-OG1 3.46Å; E638-T641 WeakPolarHBondContact O-CB 3.24Å; E638-T641 PolarHBondContact O-N 3.32Å; E638-T641 VanDerWaalsContact O-N 3.1Å; L639-T641 VanDerWaalsContact C-N 3.34Å; T641-Y644 PolarHBondContact O-N 3.43Å; T641-A645 WeakPolarHBondContact O-CB 3.29Å; T641-A645 PolarHBondContact O-N 3.26Å; T641-L692 HydrophobicContact CG2-CD1 4.43Å |
| 642 | E | 91.7 | Very high | 87.3 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -71.9 | -38.3 | 179.2 | -171.1 | 169.5 | 179.6 | 0 | 0 | 112.8 | L602 E638 L639 A645 S646 | L602-E642 HydrophobicContact CD1-CG 4.27Å; L602-E642 VanDerWaalsContact CD1-OE1 3.27Å; L602-E642 WeakPolarHBondContact CD1-OE1 3.46Å; L602-E642 WeakPolarHBondContact CD1-OE2 3.37Å; L602-E642 HydrophobicContact CD2-CB 4.2Å; L602-E642 HydrophobicContact CD2-CG 4Å; E638-E642 WeakPolarHBondContact O-CB 3.39Å; E638-E642 PolarHBondContact O-N 2.9Å; L639-E642 PolarHBondContact O-N 3.25Å; E642-A645 PolarHBondContact O-N 3.45Å; E642-S646 WeakPolarHBondContact O-CB 3.24Å; E642-S646 PolarHBondContact O-N 2.88Å; E642-S646 PolarHBondContact O-OG 3.35Å |
| 643 | L | 91.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 172.9 | -73.5 | 169.7 | 0 | 0 | 0 | 112.1 | L602 A605 W617 L620 L639 V640 S646 R647 F665 | L602-L643 HydrophobicContact CD2-CD2 3.85Å; L602-L643 HydrophobicContact CD2-CG 3.8Å; A605-L643 HydrophobicContact CB-CD1 4.29Å; A605-L643 HydrophobicContact CB-CD2 3.4Å; A605-L643 VanDerWaalsContact CB-CD2 3.4Å; W617-L643 HydrophobicContact CZ3-CD1 4.34Å; L620-L643 HydrophobicContact CD1-CD1 4.26Å; L620-L643 HydrophobicContact CD2-CD1 3.37Å; L620-L643 HydrophobicContact CG-CD1 4.47Å; L639-L643 VanDerWaalsContact O-CB 3.31Å; L639-L643 WeakPolarHBondContact O-CB 3.42Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.43Å; V640-L643 PolarHBondContact O-N 3.2Å; L643-S646 WeakPolarHBondContact CA-OG 3.47Å; L643-S646 PolarHBondContact O-OG 3.48Å; L643-R647 WeakPolarHBondContact O-CB 3.32Å; L643-R647 PolarHBondContact O-N 2.98Å; L643-F665 HydrophobicContact CB-CE2 4.24Å; L643-F665 HydrophobicContact CB-CZ 3.86Å |
| 644 | Y | 90.8 | Very high | 82.7 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 172.2 | 170.2 | -111 | 0 | 0 | 0 | 111.3 | L366 V640 T641 G648 V649 L692 A695 L696 S699 E700 | L366-Y644 HydrophobicContact CD1-CD1 4.1Å; L366-Y644 HydrophobicContact CD1-CE1 4.29Å; V640-Y644 VanDerWaalsContact O-CB 3.31Å; V640-Y644 WeakPolarHBondContact O-CB 3.5Å; V640-Y644 PolarHBondContact O-N 3.06Å; T641-Y644 PolarHBondContact O-N 3.43Å; Y644-G648 VanDerWaalsContact O-CA 3.22Å; Y644-G648 WeakPolarHBondContact O-CA 3.44Å; Y644-G648 PolarHBondContact O-N 3.3Å; Y644-V649 HydrophobicContact CD2-CG2 3.88Å; Y644-V649 HydrophobicContact CE2-CG2 3.78Å; Y644-L692 HydrophobicContact CD1-CD1 3.83Å; Y644-L692 HydrophobicContact CE1-CD1 4.48Å; Y644-L692 HydrophobicContact CG-CD1 4.25Å; Y644-A695 HydrophobicContact CE1-CB 3.94Å; Y644-A695 PolarHBondContact OH-O 3.33Å; Y644-L696 HydrophobicContact CD2-CD2 3.89Å; Y644-L696 HydrophobicContact CE1-CD2 4.31Å; Y644-L696 HydrophobicContact CE2-CD2 3.53Å; Y644-L696 HydrophobicContact CG-CD2 4.43Å; Y644-S699 WeakPolarHBondContact OH-CB 3.16Å; Y644-S699 PolarHBondContact OH-OG 2.85Å; Y644-E700 HydrophobicContact CE2-CG 4.25Å |
| 645 | A | 87.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A368 L369 T641 E642 | A368-A645 HydrophobicContact CB-CB 3.3Å; L369-A645 HydrophobicContact CD2-CB 4.15Å; L369-A645 HydrophobicContact CG-CB 3.9Å; T641-A645 WeakPolarHBondContact O-CB 3.29Å; T641-A645 PolarHBondContact O-N 3.26Å; E642-A645 PolarHBondContact O-N 3.45Å |
| 646 | S | 83.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | -179 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | K372 E642 L643 | K372-S646 WeakPolarHBondContact CE-O 3.15Å; K372-S646 PolarHBondContact NZ-O 3Å; K372-S646 VanDerWaalsContact NZ-O 3.1Å; E642-S646 WeakPolarHBondContact O-CB 3.24Å; E642-S646 PolarHBondContact O-N 2.88Å; E642-S646 PolarHBondContact O-OG 3.35Å; L643-S646 WeakPolarHBondContact CA-OG 3.47Å; L643-S646 PolarHBondContact O-OG 3.48Å |
| 647 | R | 80.2 | Confident | 75.1 | Confident | 80 Ų | 80 | 61 Ų | 61 | 30% | 0.302 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -109.6 | -28.8 | -168.1 | -158.2 | 176.7 | 156.8 | 144.3 | -12 | 114.4 | K372 A605 L643 D650 | K372-R647 PolarHBondContact NZ-O 3.21Å; A605-R647 PolarHBondContact O-NH1 3.06Å; L643-R647 WeakPolarHBondContact O-CB 3.32Å; L643-R647 PolarHBondContact O-N 2.98Å; R647-D650 IonicContact NE-OD1 3.33Å; R647-D650 IonicContact NH2-OD1 3.39Å |
| 648 | G | 82.5 | Confident | 72.4 | Confident | 12 Ų | 12 | 64 Ų | 64 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | trans | 79.9 | -168 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y644 F665 | Y644-G648 VanDerWaalsContact O-CA 3.22Å; Y644-G648 WeakPolarHBondContact O-CA 3.44Å; Y644-G648 PolarHBondContact O-N 3.3Å; G648-F665 WeakPolarHBondContact O-CD1 3.43Å; G648-F665 WeakPolarHBondContact O-CE1 3.5Å | ||
| 649 | V | 81.4 | Confident | 69.9 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 138.1 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 111 | Y644 L667 L670 L696 E700 | Y644-V649 HydrophobicContact CD2-CG2 3.88Å; Y644-V649 HydrophobicContact CE2-CG2 3.78Å; V649-L667 HydrophobicContact CG1-CB 3.9Å; V649-L670 HydrophobicContact CG1-CD1 4.32Å; V649-L670 HydrophobicContact CG2-CD1 3.74Å; V649-L696 HydrophobicContact CG2-CD2 4.37Å; V649-E700 HydrophobicContact CG2-CG 4.12Å; V649-E700 WeakPolarHBondContact CG2-OE1 3.26Å |
| 650 | D | 76.4 | Confident | 67.6 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 132.3 | 174.2 | -71.8 | -36.7 | 0 | 0 | 0 | 110.3 | R647 V652 F665 | R647-D650 IonicContact NE-OD1 3.33Å; R647-D650 IonicContact NH2-OD1 3.39Å; D650-V652 PolarHBondContact O-N 3.36Å; D650-F665 PolarHBondContact N-O 3.04Å |
| 651 | P | 65 | Low | 65.3 | Low | 93 Ų | 93 | 72.3 Ų | 72.3 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -65 | 134.4 | 178.4 | 24.5 | -31.7 | 0 | 0 | 0 | 111.1 | F653 | P651-F653 HydrophobicContact CB-CE2 4.34Å; P651-F653 HydrophobicContact CB-CZ 4.46Å; P651-F653 HydrophobicContact CG-CE2 3.88Å; P651-F653 HydrophobicContact CG-CZ 4.16Å; P651-F653 PolarHBondContact O-N 2.99Å |
| 652 | V | 61.9 | Low | 63.2 | Low | 76 Ų | 76 | 79 Ų | 79 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | trans | -79.3 | 108.6 | 176.4 | -177 | 0 | 0 | 0 | 0 | 108.8 | D650 V660 T666 | D650-V652 PolarHBondContact O-N 3.36Å; V652-V660 HydrophobicContact CG1-CG1 4.26Å; V652-T666 HydrophobicContact CG2-CG2 3.85Å | ||
| 653 | F | 52.1 | Low | 61.3 | Low | 156 Ų | 156 | 75.9 Ų | 75.9 | 68% | 0.684 | 42% | 0.42 | S | S | * | . | trans | -87.2 | 119.7 | 165.5 | -63.6 | -76.3 | 0 | 0 | 0 | 109 | P651 N655 | P651-F653 HydrophobicContact CB-CE2 4.34Å; P651-F653 HydrophobicContact CB-CZ 4.46Å; P651-F653 HydrophobicContact CG-CE2 3.88Å; P651-F653 HydrophobicContact CG-CZ 4.16Å; P651-F653 PolarHBondContact O-N 2.99Å; F653-N655 PolarHBondContact O-N 3.12Å | ||
| 654 | C | 40 | Very low | 60.3 | Low | 107 Ų | 107 | 77.6 Ų | 77.6 | 72% | 0.723 | 43% | 0.429 | S | S | * | . | trans | -75.2 | 114.6 | 167.9 | -46.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 655 | N | 42.8 | Very low | 59.9 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | trans | -64 | 154.2 | 169.3 | -53.5 | -0.5 | 0 | 0 | 0 | 108 | F653 H657 G658 | F653-N655 PolarHBondContact O-N 3.12Å; N655-H657 PolarHBondContact O-N 2.85Å; N655-G658 PolarHBondContact O-N 2.94Å | ||
| 656 | E | 37.8 | Very low | 59.8 | Low | 192 Ų | 192 | 78 Ų | 78 | 90% | 0.897 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -6.9 | 178.5 | -58.8 | -176.7 | 170.4 | 0 | 0 | 114.4 | ||
| 657 | H | 41.3 | Very low | 60 | Low | 159 Ų | 159 | 75.8 Ų | 75.8 | 74% | 0.736 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 12.7 | -179.5 | -59.7 | -5.2 | 0 | 0 | 0 | 113.4 | N655 H659 | N655-H657 PolarHBondContact O-N 2.85Å; H657-H659 PolarHBondContact O-N 3.03Å |
| 658 | G | 37.8 | Very low | 60.3 | Low | 62 Ų | 62 | 76.5 Ų | 76.5 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | trans | 67.9 | 6.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N655 V660 | N655-G658 PolarHBondContact O-N 2.94Å; G658-V660 PolarHBondContact O-N 3.39Å | ||
| 659 | H | 41.6 | Very low | 60.6 | Low | 132 Ų | 132 | 77.2 Ų | 77.2 | 61% | 0.611 | 43% | 0.426 | S | S | * | . | trans | -81.4 | 112.9 | 175.7 | -109 | -85.5 | 0 | 0 | 0 | 110.1 | H657 | H657-H659 PolarHBondContact O-N 3.03Š| ||
| 660 | V | 45.9 | Very low | 61.1 | Low | 63 Ų | 63 | 75.8 Ų | 75.8 | 38% | 0.382 | 42% | 0.418 | S | S | . | . | trans | -65 | 131.6 | 169 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | V652 G658 Q662 | V652-V660 HydrophobicContact CG1-CG1 4.26Å; G658-V660 PolarHBondContact O-N 3.39Å; V660-Q662 PolarHBondContact O-N 2.92Å | ||
| 661 | S | 45.9 | Very low | 61.7 | Low | 52 Ų | 52 | 74.3 Ų | 74.3 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -65.7 | 84.2 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 109.4 | G663 | S661-G663 PolarHBondContact O-N 3.19Š| ||
| 662 | Q | 48.7 | Very low | 62.9 | Low | 165 Ų | 165 | 72.4 Ų | 72.4 | 77% | 0.771 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 117.8 | 175.5 | -68.8 | 176 | 0.1 | 0 | 0 | 108.3 | V660 | V660-Q662 PolarHBondContact O-N 2.92Š|
| 663 | G | 52.9 | Low | 64.3 | Low | 19 Ų | 19 | 68.8 Ų | 68.8 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.4 | 9.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | W617 S661 | W617-G663 WeakPolarHBondContact CB-O 3.41Å; S661-G663 PolarHBondContact O-N 3.19Å |
| 664 | N | 69 | Low | 66.2 | Low | 42 Ų | 42 | 61.4 Ų | 61.4 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -97.4 | 166.2 | 169.6 | -67.8 | -3.1 | 0 | 0 | 0 | 111.4 | T666 | N664-T666 HydrophobicContact CB-CG2 3.94Å; N664-T666 PolarHBondContact O-N 3.45Å |
| 665 | F | 82.4 | Confident | 68.6 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -73.5 | 65.4 | 176.6 | -162.3 | -104.6 | 0 | 0 | 0 | 110.9 | W617 L620 V621 V640 L643 G648 D650 L670 | W617-F665 HydrophobicContact CD2-CB 4.32Å; W617-F665 HydrophobicContact CE3-CB 3.85Å; W617-F665 AromaticContact CE3-CD2 3.87Å; W617-F665 HydrophobicContact CE3-CD2 3.87Å; W617-F665 HydrophobicContact CE3-CG 4.15Å; W617-F665 HydrophobicContact CZ3-CB 4.17Å; W617-F665 HydrophobicContact CZ3-CD2 4.02Å; W617-F665 HydrophobicContact CZ3-CG 4.18Å; L620-F665 HydrophobicContact CD2-CD2 4.03Å; L620-F665 HydrophobicContact CD2-CE2 3.81Å; V621-F665 HydrophobicContact CG1-CD2 4.37Å; V640-F665 HydrophobicContact CG1-CE2 4.31Å; V640-F665 HydrophobicContact CG1-CZ 4.43Å; L643-F665 HydrophobicContact CB-CE2 4.24Å; L643-F665 HydrophobicContact CB-CZ 3.86Å; G648-F665 WeakPolarHBondContact O-CD1 3.43Å; G648-F665 WeakPolarHBondContact O-CE1 3.5Å; D650-F665 PolarHBondContact N-O 3.04Å; F665-L670 HydrophobicContact CD1-CD1 3.88Å; F665-L670 HydrophobicContact CD2-CD2 4.36Å; F665-L670 HydrophobicContact CE1-CD1 3.71Å; F665-L670 HydrophobicContact CE1-CD2 4.23Å; F665-L670 HydrophobicContact CE1-CG 4.46Å; F665-L670 HydrophobicContact CE2-CD1 4.39Å; F665-L670 HydrophobicContact CE2-CD2 3.71Å; F665-L670 HydrophobicContact CE2-CG 4.3Å; F665-L670 HydrophobicContact CG-CD1 4.29Å; F665-L670 HydrophobicContact CZ-CD1 4Å; F665-L670 HydrophobicContact CZ-CD2 3.63Å; F665-L670 HydrophobicContact CZ-CG 4.28Å |
| 666 | T | 86.3 | Confident | 70.8 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | trans | -94.7 | 157.3 | -174.5 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | V652 N664 E668 A669 L670 | V652-T666 HydrophobicContact CG2-CG2 3.85Å; N664-T666 HydrophobicContact CB-CG2 3.94Å; N664-T666 PolarHBondContact O-N 3.45Å; T666-E668 PolarHBondContact O-N 3.35Å; T666-A669 PolarHBondContact O-N 3.28Å; T666-A669 WeakPolarHBondContact OG1-CB 3.16Å; T666-A669 PolarHBondContact OG1-N 3.04Å; T666-L670 WeakPolarHBondContact O-CB 3.36Å; T666-L670 WeakPolarHBondContact O-CD1 3.4Å; T666-L670 WeakPolarHBondContact O-CG 3.2Å; T666-L670 PolarHBondContact O-N 2.96Å | ||
| 667 | L | 87.4 | Confident | 73.3 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -40.1 | -179.4 | -178.7 | 58.2 | 0 | 0 | 0 | 110.9 | V649 T671 L696 E700 D701 T704 V705 | V649-L667 HydrophobicContact CG1-CB 3.9Å; L667-T671 VanDerWaalsContact O-CB 3.27Å; L667-T671 WeakPolarHBondContact O-CB 3.44Å; L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.24Å; L667-L696 HydrophobicContact CD1-CD2 3.99Å; L667-E700 HydrophobicContact CD1-CB 3.66Å; L667-E700 HydrophobicContact CD1-CG 3.86Å; L667-E700 HydrophobicContact CD2-CB 3.93Å; L667-E700 HydrophobicContact CG-CB 4.45Å; L667-D701 HydrophobicContact CD2-CB 4.24Å; L667-T704 HydrophobicContact CD2-CG2 3.93Å; L667-T704 HydrophobicContact CG-CG2 4.29Å; L667-V705 HydrophobicContact CD1-CG2 4.06Å |
| 668 | E | 87.7 | Confident | 75.6 | Confident | 95 Ų | 95 | 41.1 Ų | 41.1 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 179.5 | -177.6 | 172.2 | -167.7 | 0 | 0 | 111.6 | T666 L670 T671 V672 L708 | T666-E668 PolarHBondContact O-N 3.35Å; E668-L670 PolarHBondContact O-N 3.15Å; E668-T671 PolarHBondContact O-N 3.16Å; E668-V672 WeakPolarHBondContact O-CB 3.48Å; E668-V672 VanDerWaalsContact O-CG2 3.26Å; E668-V672 WeakPolarHBondContact O-CG2 3.41Å; E668-V672 PolarHBondContact O-N 3.2Å; E668-L708 HydrophobicContact CB-CD1 4Å; E668-L708 HydrophobicContact CG-CD1 3.82Å; E668-L708 HydrophobicContact CG-CD2 4.07Å |
| 669 | A | 87.9 | Confident | 78 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V621 T666 F673 | V621-A669 HydrophobicContact CG2-CB 4.11Å; T666-A669 PolarHBondContact O-N 3.28Å; T666-A669 WeakPolarHBondContact OG1-CB 3.16Å; T666-A669 PolarHBondContact OG1-N 3.04Å; A669-F673 VanDerWaalsContact O-CB 3.23Å; A669-F673 WeakPolarHBondContact O-CB 3.49Å; A669-F673 PolarHBondContact O-N 2.98Å |
| 670 | L | 91.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.4 | -82.3 | 159.5 | 0 | 0 | 0 | 112.7 | V640 V649 F665 T666 E668 F673 T674 L696 | V640-L670 HydrophobicContact CG1-CD2 3.28Å; V649-L670 HydrophobicContact CG1-CD1 4.32Å; V649-L670 HydrophobicContact CG2-CD1 3.74Å; F665-L670 HydrophobicContact CD1-CD1 3.88Å; F665-L670 HydrophobicContact CD2-CD2 4.36Å; F665-L670 HydrophobicContact CE1-CD1 3.71Å; F665-L670 HydrophobicContact CE1-CD2 4.23Å; F665-L670 HydrophobicContact CE1-CG 4.46Å; F665-L670 HydrophobicContact CE2-CD1 4.39Å; F665-L670 HydrophobicContact CE2-CD2 3.71Å; F665-L670 HydrophobicContact CE2-CG 4.3Å; F665-L670 HydrophobicContact CG-CD1 4.29Å; F665-L670 HydrophobicContact CZ-CD1 4Å; F665-L670 HydrophobicContact CZ-CD2 3.63Å; F665-L670 HydrophobicContact CZ-CG 4.28Å; T666-L670 WeakPolarHBondContact O-CB 3.36Å; T666-L670 WeakPolarHBondContact O-CD1 3.4Å; T666-L670 WeakPolarHBondContact O-CG 3.2Å; T666-L670 PolarHBondContact O-N 2.96Å; E668-L670 PolarHBondContact O-N 3.15Å; L670-F673 PolarHBondContact O-N 3.46Å; L670-T674 VanDerWaalsContact O-CB 3.31Å; L670-T674 WeakPolarHBondContact O-CB 3.39Å; L670-T674 PolarHBondContact O-N 2.87Å; L670-T674 PolarHBondContact O-OG1 3.23Å; L670-L696 HydrophobicContact CB-CD1 4.27Å |
| 671 | T | 90.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -44.5 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | L667 E668 F673 T674 A675 I693 V705 L708 I709 | L667-T671 VanDerWaalsContact O-CB 3.27Å; L667-T671 WeakPolarHBondContact O-CB 3.44Å; L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.24Å; E668-T671 PolarHBondContact O-N 3.16Å; T671-F673 PolarHBondContact O-N 2.98Å; T671-T674 PolarHBondContact O-N 3.27Å; T671-A675 VanDerWaalsContact O-CB 3.23Å; T671-A675 WeakPolarHBondContact O-CB 3.45Å; T671-A675 PolarHBondContact O-N 3.46Å; T671-I693 HydrophobicContact CG2-CD1 3.98Å; T671-V705 HydrophobicContact CG2-CG1 4.2Å; T671-L708 HydrophobicContact CG2-CB 3.65Å; T671-L708 HydrophobicContact CG2-CD1 4.17Å; T671-I709 HydrophobicContact CG2-CG1 4.02Å |
| 672 | V | 89.5 | Confident | 84.6 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | E668 K676 L708 | E668-V672 WeakPolarHBondContact O-CB 3.48Å; E668-V672 VanDerWaalsContact O-CG2 3.26Å; E668-V672 WeakPolarHBondContact O-CG2 3.41Å; E668-V672 PolarHBondContact O-N 3.2Å; V672-K676 WeakPolarHBondContact O-CG 3.19Å; V672-K676 PolarHBondContact O-N 3.05Å; V672-L708 HydrophobicContact CG2-CD2 4.24Å |
| 673 | F | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -53 | 174.4 | 171 | -103.2 | 0 | 0 | 0 | 111.1 | V621 R622 F624 I637 V640 A669 L670 T671 A675 K676 C677 | V621-F673 VanDerWaalsContact C-CD2 3.45Å; V621-F673 HydrophobicContact CB-CB 4.14Å; V621-F673 HydrophobicContact CB-CG 4.25Å; V621-F673 VanDerWaalsContact O-CD2 3.23Å; V621-F673 WeakPolarHBondContact O-CD2 3.25Å; R622-F673 WeakPolarHBondContact O-CE2 3.45Å; F624-F673 AromaticContact CE1-CE2 3.87Å; F624-F673 HydrophobicContact CE1-CE2 3.87Å; F624-F673 HydrophobicContact CE1-CZ 4.05Å; F624-F673 HydrophobicContact CE2-CE2 4.27Å; F624-F673 HydrophobicContact CE2-CZ 4.18Å; F624-F673 AromaticContact CZ-CE2 3.72Å; F624-F673 HydrophobicContact CZ-CE2 3.72Å; F624-F673 AromaticContact CZ-CZ 3.53Å; F624-F673 HydrophobicContact CZ-CZ 3.53Å; I637-F673 HydrophobicContact CG1-CE1 4.44Å; V640-F673 HydrophobicContact CB-CE1 4.26Å; V640-F673 HydrophobicContact CG1-CD1 4.43Å; V640-F673 HydrophobicContact CG1-CE1 4.38Å; V640-F673 HydrophobicContact CG2-CD1 4.34Å; V640-F673 HydrophobicContact CG2-CE1 3.8Å; V640-F673 HydrophobicContact CG2-CZ 4.39Å; A669-F673 VanDerWaalsContact O-CB 3.23Å; A669-F673 WeakPolarHBondContact O-CB 3.49Å; A669-F673 PolarHBondContact O-N 2.98Å; L670-F673 PolarHBondContact O-N 3.46Å; T671-F673 PolarHBondContact O-N 2.98Å; F673-A675 VanDerWaalsContact C-N 3.34Å; F673-A675 PolarHBondContact O-N 3.39Å; F673-K676 PolarHBondContact O-N 3Å; F673-K676 VanDerWaalsContact O-N 3.12Å; F673-C677 PolarHBondContact O-N 3.5Å; F673-C677 VanDerWaalsContact O-N 3.1Å; F673-C677 PolarHBondContact O-SG 3.03Å |
| 674 | T | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | -179.1 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | L670 T671 K676 C677 L678 A689 L692 I693 | L670-T674 VanDerWaalsContact O-CB 3.31Å; L670-T674 WeakPolarHBondContact O-CB 3.39Å; L670-T674 PolarHBondContact O-N 2.87Å; L670-T674 PolarHBondContact O-OG1 3.23Å; T671-T674 PolarHBondContact O-N 3.27Å; T674-K676 VanDerWaalsContact C-N 3.31Å; T674-K676 PolarHBondContact O-N 3.38Å; T674-C677 WeakPolarHBondContact O-CA 3.48Å; T674-C677 WeakPolarHBondContact O-CB 3.47Å; T674-C677 PolarHBondContact O-N 3.4Å; T674-L678 PolarHBondContact O-N 3.2Å; T674-L678 VanDerWaalsContact O-N 3.15Å; T674-A689 HydrophobicContact CG2-CB 4.04Å; T674-A689 VanDerWaalsContact CG2-O 3.24Å; T674-A689 WeakPolarHBondContact CG2-O 3.36Å; T674-L692 HydrophobicContact CG2-CB 4.14Å; T674-L692 HydrophobicContact CG2-CD2 4.2Å; T674-L692 HydrophobicContact CG2-CG 4.2Å; T674-L692 WeakPolarHBondContact OG1-CD2 3.3Å; T674-I693 HydrophobicContact CG2-CB 3.81Å; T674-I693 HydrophobicContact CG2-CD1 4.09Å |
| 675 | A | 89.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T671 F673 C677 L678 I709 | T671-A675 VanDerWaalsContact O-CB 3.23Å; T671-A675 WeakPolarHBondContact O-CB 3.45Å; T671-A675 PolarHBondContact O-N 3.46Å; F673-A675 VanDerWaalsContact C-N 3.34Å; F673-A675 PolarHBondContact O-N 3.39Å; A675-C677 VanDerWaalsContact C-N 3.3Å; A675-C677 PolarHBondContact O-N 2.92Å; A675-L678 WeakPolarHBondContact O-CB 3.21Å; A675-L678 PolarHBondContact O-N 2.82Å; A675-I709 HydrophobicContact CB-CG1 4.5Å |
| 676 | K | 88.7 | Confident | 90.2 | Very high | 111 Ų | 111 | 41.5 Ų | 41.5 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.1 | -26.6 | 174.8 | -69.8 | -179.5 | -177.2 | -179.2 | 0 | 113.3 | P623 V672 F673 T674 L678 D679 | P623-K676 HydrophobicContact CB-CD 3.59Å; P623-K676 HydrophobicContact CG-CD 3.69Å; V672-K676 WeakPolarHBondContact O-CG 3.19Å; V672-K676 PolarHBondContact O-N 3.05Å; F673-K676 PolarHBondContact O-N 3Å; F673-K676 VanDerWaalsContact O-N 3.12Å; T674-K676 VanDerWaalsContact C-N 3.31Å; T674-K676 PolarHBondContact O-N 3.38Å; K676-L678 VanDerWaalsContact C-N 3.33Å; K676-D679 PolarHBondContact O-N 3.33Å |
| 677 | C | 91.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.2 | -25 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | F624 I637 F673 T674 A675 D679 H680 V685 A689 | F624-C677 WeakPolarHBondContact CE2-SG 3.26Å; I637-C677 HydrophobicContact CD1-CB 3.7Å; F673-C677 PolarHBondContact O-N 3.5Å; F673-C677 VanDerWaalsContact O-N 3.1Å; F673-C677 PolarHBondContact O-SG 3.03Å; T674-C677 WeakPolarHBondContact O-CA 3.48Å; T674-C677 WeakPolarHBondContact O-CB 3.47Å; T674-C677 PolarHBondContact O-N 3.4Å; A675-C677 VanDerWaalsContact C-N 3.3Å; A675-C677 PolarHBondContact O-N 2.92Å; C677-D679 PolarHBondContact O-N 3.25Å; C677-H680 WeakPolarHBondContact O-CB 3.22Å; C677-H680 PolarHBondContact O-N 3.4Å; C677-H680 VanDerWaalsContact O-N 3.11Å; C677-V685 HydrophobicContact CB-CG1 4.27Å; C677-A689 HydrophobicContact CB-CB 3.67Å |
| 678 | L | 89.7 | Confident | 90.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -26.5 | 174.1 | -63 | 174.5 | 0 | 0 | 0 | 112.4 | T674 A675 K676 R686 A689 E690 L721 Y722 L725 | T674-L678 PolarHBondContact O-N 3.2Å; T674-L678 VanDerWaalsContact O-N 3.15Å; A675-L678 WeakPolarHBondContact O-CB 3.21Å; A675-L678 PolarHBondContact O-N 2.82Å; K676-L678 VanDerWaalsContact C-N 3.33Å; L678-R686 WeakPolarHBondContact O-CD 3.45Å; L678-R686 VanDerWaalsContact O-CG 3.3Å; L678-R686 WeakPolarHBondContact O-CG 3.49Å; L678-A689 HydrophobicContact CD2-CB 3.57Å; L678-A689 HydrophobicContact CG-CB 4.15Å; L678-E690 HydrophobicContact CD2-CB 4.45Å; L678-L721 HydrophobicContact CB-CD2 4.1Å; L678-L721 HydrophobicContact CD1-CD2 4.41Å; L678-L721 HydrophobicContact CD2-CD2 3.79Å; L678-L721 HydrophobicContact CG-CD2 4.31Å; L678-Y722 HydrophobicContact CD1-CE1 4.03Å; L678-L725 HydrophobicContact CD1-CD2 3.89Å |
| 679 | D | 87.2 | Confident | 91 | Very high | 106 Ų | 106 | 41.3 Ų | 41.3 | 57% | 0.567 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.6 | 176.9 | -58.5 | -31.8 | 0 | 0 | 0 | 113.1 | K676 C677 Y722 | K676-D679 PolarHBondContact O-N 3.33Å; C677-D679 PolarHBondContact O-N 3.25Å; D679-Y722 PolarHBondContact OD1-OH 2.92Å |
| 680 | H | 89.9 | Confident | 91.2 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | trans | -71.3 | 150.6 | -178.6 | -166.2 | -97 | 0 | 0 | 0 | 112.2 | D630 C677 S682 V685 R686 | D630-H680 IonicContact OD1-CE1 3.42Å; D630-H680 PolarHBondContact OD1-CE1 3.43Å; C677-H680 WeakPolarHBondContact O-CB 3.22Å; C677-H680 PolarHBondContact O-N 3.4Å; C677-H680 VanDerWaalsContact O-N 3.11Å; H680-S682 PolarHBondContact ND1-N 3.1Å; H680-S682 VanDerWaalsContact ND1-N 3.19Å; H680-S682 PolarHBondContact O-N 2.82Å; H680-V685 HydrophobicContact CB-CB 4.16Å; H680-V685 HydrophobicContact CB-CG1 3.76Å; H680-R686 VanDerWaalsContact O-CD 3.24Å; H680-R686 WeakPolarHBondContact O-CD 3.27Å; H680-R686 WeakPolarHBondContact O-CG 3.46Å; H680-R686 PolarHBondContact O-NH1 3Å | ||
| 681 | R | 90.2 | Very high | 91.2 | Very high | 136 Ų | 136 | 43.7 Ų | 43.7 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.3 | -35.7 | -178.4 | 64.2 | 172.2 | 178.6 | -110.2 | -15.7 | 114 | P626 T628 D630 R686 | P626-R681 PolarHBondContact O-NH1 3.38Å; T628-R681 PolarHBondContact O-NH2 3.36Å; D630-R681 IonicContact OD1-CZ 3.07Å; D630-R681 IonicContact OD1-NE 2.65Å; D630-R681 PolarHBondContact OD1-NE 3.45Å; D630-R681 IonicContact OD1-NH2 2.73Å; D630-R681 PolarHBondContact OD1-NH2 3.21Å; D630-R681 IonicContact OD2-NE 3.58Å; R681-R686 PolarHBondContact O-NH1 3.02Å |
| 682 | S | 91.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -78.4 | 131.6 | -179 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | H680 E684 V685 R686 | H680-S682 PolarHBondContact ND1-N 3.1Å; H680-S682 VanDerWaalsContact ND1-N 3.19Å; H680-S682 PolarHBondContact O-N 2.82Å; S682-E684 PolarHBondContact OG-N 3.05Å; S682-V685 PolarHBondContact O-N 2.94Å; S682-R686 PolarHBondContact O-N 3.04Å |
| 683 | N | 91.4 | Very high | 91.4 | Very high | 95 Ų | 95 | 41.2 Ų | 41.2 | 51% | 0.508 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64 | -40 | 178.1 | -168 | 61.9 | 0 | 0 | 0 | 112.5 | V685 R686 E687 | N683-V685 VanDerWaalsContact C-N 3.28Å; N683-V685 PolarHBondContact O-N 3.05Å; N683-R686 PolarHBondContact O-N 3.22Å; N683-R686 VanDerWaalsContact O-N 3.11Å; N683-R686 PolarHBondContact OD1-NH2 2.93Å; N683-E687 WeakPolarHBondContact O-CB 3.18Å; N683-E687 PolarHBondContact O-N 2.97Å |
| 684 | E | 93.3 | Very high | 91.3 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 179.7 | -61.1 | 163.8 | 170 | 0 | 0 | 111.1 | L634 S682 A688 | L634-E684 HydrophobicContact CD1-CB 4.08Å; L634-E684 HydrophobicContact CD2-CB 4.2Å; S682-E684 PolarHBondContact OG-N 3.05Å; E684-A688 WeakPolarHBondContact O-CB 3.26Å; E684-A688 PolarHBondContact O-N 3.07Å |
| 685 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | F624 A633 L634 C677 H680 S682 N683 A689 | F624-V685 HydrophobicContact CE2-CG1 4.26Å; A633-V685 HydrophobicContact CB-CG1 4.47Å; A633-V685 HydrophobicContact CB-CG2 4Å; L634-V685 HydrophobicContact CB-CG2 4.07Å; C677-V685 HydrophobicContact CB-CG1 4.27Å; H680-V685 HydrophobicContact CB-CB 4.16Å; H680-V685 HydrophobicContact CB-CG1 3.76Å; S682-V685 PolarHBondContact O-N 2.94Å; N683-V685 VanDerWaalsContact C-N 3.28Å; N683-V685 PolarHBondContact O-N 3.05Å; V685-A689 VanDerWaalsContact O-CB 3.32Å; V685-A689 WeakPolarHBondContact O-CB 3.26Å; V685-A689 PolarHBondContact O-N 3.49Å |
| 686 | R | 92.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 178 | -69 | -167 | -58.1 | -102.8 | -0.3 | 112.2 | L678 H680 R681 S682 N683 A689 E690 L721 | L678-R686 WeakPolarHBondContact O-CD 3.45Å; L678-R686 VanDerWaalsContact O-CG 3.3Å; L678-R686 WeakPolarHBondContact O-CG 3.49Å; H680-R686 VanDerWaalsContact O-CD 3.24Å; H680-R686 WeakPolarHBondContact O-CD 3.27Å; H680-R686 WeakPolarHBondContact O-CG 3.46Å; H680-R686 PolarHBondContact O-NH1 3Å; R681-R686 PolarHBondContact O-NH1 3.02Å; S682-R686 PolarHBondContact O-N 3.04Å; N683-R686 PolarHBondContact O-N 3.22Å; N683-R686 VanDerWaalsContact O-N 3.11Å; N683-R686 PolarHBondContact OD1-NH2 2.93Å; R686-A689 WeakPolarHBondContact O-CB 3.37Å; R686-A689 PolarHBondContact O-N 2.9Å; R686-E690 WeakPolarHBondContact O-CB 3.3Å; R686-E690 PolarHBondContact O-N 3.33Å; R686-L721 HydrophobicContact CB-CD1 3.76Å; R686-L721 HydrophobicContact CG-CD1 4.35Å |
| 687 | E | 92 | Very high | 91.2 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 50% | 0.5 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.8 | -44.3 | 177.2 | -173.1 | 176.3 | 174.1 | 0 | 0 | 111.6 | N683 A689 E690 N691 | N683-E687 WeakPolarHBondContact O-CB 3.18Å; N683-E687 PolarHBondContact O-N 2.97Å; E687-A689 VanDerWaalsContact C-N 3.27Å; E687-A689 PolarHBondContact O-N 3.4Å; E687-E690 WeakPolarHBondContact O-CB 3.27Å; E687-E690 PolarHBondContact O-N 3.36Å; E687-N691 PolarHBondContact O-N 3.36Å; E687-N691 PolarHBondContact O-ND2 3.36Å |
| 688 | A | 93.1 | Very high | 91 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L634 I637 E684 N691 L692 | L634-A688 HydrophobicContact CD1-CB 4.42Å; I637-A688 HydrophobicContact CD1-CB 4.29Å; I637-A688 HydrophobicContact CG1-CB 4.32Å; I637-A688 HydrophobicContact CG2-CB 3.7Å; E684-A688 WeakPolarHBondContact O-CB 3.26Å; E684-A688 PolarHBondContact O-N 3.07Å; A688-N691 PolarHBondContact O-N 3.03Å; A688-L692 WeakPolarHBondContact O-CB 3.48Å; A688-L692 PolarHBondContact O-N 3.47Å |
| 689 | A | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I637 T674 C677 L678 V685 R686 E687 N691 L692 I693 | I637-A689 VanDerWaalsContact CD1-CA 3.4Å; I637-A689 HydrophobicContact CD1-CB 3.45Å; I637-A689 VanDerWaalsContact CD1-CB 3.45Å; T674-A689 HydrophobicContact CG2-CB 4.04Å; T674-A689 VanDerWaalsContact CG2-O 3.24Å; T674-A689 WeakPolarHBondContact CG2-O 3.36Å; C677-A689 HydrophobicContact CB-CB 3.67Å; L678-A689 HydrophobicContact CD2-CB 3.57Å; L678-A689 HydrophobicContact CG-CB 4.15Å; V685-A689 VanDerWaalsContact O-CB 3.32Å; V685-A689 WeakPolarHBondContact O-CB 3.26Å; V685-A689 PolarHBondContact O-N 3.49Å; R686-A689 WeakPolarHBondContact O-CB 3.37Å; R686-A689 PolarHBondContact O-N 2.9Å; E687-A689 VanDerWaalsContact C-N 3.27Å; E687-A689 PolarHBondContact O-N 3.4Å; A689-N691 VanDerWaalsContact C-N 3.32Å; A689-N691 PolarHBondContact O-N 3.36Å; A689-L692 PolarHBondContact O-N 3.23Å; A689-I693 WeakPolarHBondContact O-CB 3.45Å; A689-I693 WeakPolarHBondContact O-CG2 3.11Å; A689-I693 PolarHBondContact O-N 3.4Å |
| 690 | E | 91.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 175.1 | -167 | -174.4 | 151.7 | 0 | 0 | 110.9 | L678 R686 E687 I693 V694 R724 L725 K728 | L678-E690 HydrophobicContact CD2-CB 4.45Å; R686-E690 WeakPolarHBondContact O-CB 3.3Å; R686-E690 PolarHBondContact O-N 3.33Å; E687-E690 WeakPolarHBondContact O-CB 3.27Å; E687-E690 PolarHBondContact O-N 3.36Å; E690-I693 VanDerWaalsContact O-CG2 3.27Å; E690-I693 WeakPolarHBondContact O-CG2 3.43Å; E690-V694 WeakPolarHBondContact O-CB 3.26Å; E690-V694 WeakPolarHBondContact O-CG2 3.44Å; E690-V694 PolarHBondContact O-N 3.49Å; E690-V694 VanDerWaalsContact O-N 3.12Å; E690-R724 VanDerWaalsContact OE1-CD 3.24Å; E690-R724 WeakPolarHBondContact OE1-CD 3.41Å; E690-R724 IonicContact OE2-NH1 3.31Å; E690-L725 HydrophobicContact CG-CD1 4.29Å; E690-K728 VanDerWaalsContact OE1-CE 3.29Å; E690-K728 WeakPolarHBondContact OE1-CE 3.39Å; E690-K728 IonicContact OE1-NZ 2.85Å; E690-K728 PolarHBondContact OE1-NZ 2.94Å |
| 691 | N | 91.9 | Very high | 90.2 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 178.2 | -68.5 | -29.5 | 0 | 0 | 0 | 112.4 | L366 E687 A688 A689 A695 | L366-N691 HydrophobicContact CD2-CB 4.45Å; E687-N691 PolarHBondContact O-N 3.36Å; E687-N691 PolarHBondContact O-ND2 3.36Å; A688-N691 PolarHBondContact O-N 3.03Å; A689-N691 VanDerWaalsContact C-N 3.32Å; A689-N691 PolarHBondContact O-N 3.36Å; N691-A695 WeakPolarHBondContact O-CB 3.2Å; N691-A695 PolarHBondContact O-N 3.25Å |
| 692 | L | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 178.4 | 178.7 | 57.1 | 0 | 0 | 0 | 111.9 | I637 V640 T641 Y644 T674 A688 A689 V694 A695 L696 | I637-L692 HydrophobicContact CG1-CD2 4.4Å; V640-L692 HydrophobicContact CB-CD2 4.44Å; V640-L692 HydrophobicContact CG1-CD2 3.66Å; T641-L692 HydrophobicContact CG2-CD1 4.43Å; Y644-L692 HydrophobicContact CD1-CD1 3.83Å; Y644-L692 HydrophobicContact CE1-CD1 4.48Å; Y644-L692 HydrophobicContact CG-CD1 4.25Å; T674-L692 HydrophobicContact CG2-CB 4.14Å; T674-L692 HydrophobicContact CG2-CD2 4.2Å; T674-L692 HydrophobicContact CG2-CG 4.2Å; T674-L692 WeakPolarHBondContact OG1-CD2 3.3Å; A688-L692 WeakPolarHBondContact O-CB 3.48Å; A688-L692 PolarHBondContact O-N 3.47Å; A689-L692 PolarHBondContact O-N 3.23Å; L692-V694 VanDerWaalsContact C-N 3.33Å; L692-V694 PolarHBondContact O-N 3.13Å; L692-A695 PolarHBondContact O-N 2.84Å; L692-L696 HydrophobicContact CD1-CD1 4.45Å; L692-L696 HydrophobicContact CD1-CG 4.3Å; L692-L696 HydrophobicContact CG-CD1 4.23Å; L692-L696 WeakPolarHBondContact O-CG 3.43Å; L692-L696 PolarHBondContact O-N 3.38Å |
| 693 | I | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -35.4 | -178.9 | -160.4 | 71.1 | 0 | 0 | 0 | 111.7 | T671 T674 A689 E690 A695 L696 Y697 V705 I709 L725 F729 | T671-I693 HydrophobicContact CG2-CD1 3.98Å; T674-I693 HydrophobicContact CG2-CB 3.81Å; T674-I693 HydrophobicContact CG2-CD1 4.09Å; A689-I693 WeakPolarHBondContact O-CB 3.45Å; A689-I693 WeakPolarHBondContact O-CG2 3.11Å; A689-I693 PolarHBondContact O-N 3.4Å; E690-I693 VanDerWaalsContact O-CG2 3.27Å; E690-I693 WeakPolarHBondContact O-CG2 3.43Å; I693-A695 VanDerWaalsContact C-N 3.35Å; I693-L696 HydrophobicContact CD1-CD1 4.32Å; I693-L696 PolarHBondContact O-N 2.67Å; I693-Y697 VanDerWaalsContact O-CB 3.28Å; I693-Y697 WeakPolarHBondContact O-CB 3.45Å; I693-Y697 PolarHBondContact O-N 3.46Å; I693-V705 HydrophobicContact CD1-CG1 4.13Å; I693-V705 HydrophobicContact CG1-CG1 4.45Å; I693-I709 HydrophobicContact CD1-CD1 3.75Å; I693-I709 HydrophobicContact CD1-CG1 4.11Å; I693-I709 HydrophobicContact CG1-CD1 3.58Å; I693-I709 HydrophobicContact CG1-CG1 4.38Å; I693-L725 HydrophobicContact CG2-CD1 3.42Å; I693-L725 VanDerWaalsContact CG2-CD1 3.42Å; I693-L725 HydrophobicContact CG2-CD2 3.78Å; I693-L725 HydrophobicContact CG2-CG 4.25Å; I693-F729 HydrophobicContact CG1-CZ 4.09Å; I693-F729 HydrophobicContact CG2-CZ 4.45Å |
| 694 | V | 90.5 | Very high | 88.9 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 172.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | E690 L692 Y697 R698 L725 K728 F729 I732 | E690-V694 WeakPolarHBondContact O-CB 3.26Å; E690-V694 WeakPolarHBondContact O-CG2 3.44Å; E690-V694 PolarHBondContact O-N 3.49Å; E690-V694 VanDerWaalsContact O-N 3.12Å; L692-V694 VanDerWaalsContact C-N 3.33Å; L692-V694 PolarHBondContact O-N 3.13Å; V694-Y697 PolarHBondContact O-N 3.32Å; V694-R698 WeakPolarHBondContact O-CB 3.28Å; V694-R698 PolarHBondContact O-N 3.36Å; V694-L725 HydrophobicContact CG2-CD1 3.63Å; V694-K728 HydrophobicContact CG2-CB 4.28Å; V694-K728 HydrophobicContact CG2-CD 3.86Å; V694-F729 HydrophobicContact CG2-CE1 4.33Å; V694-I732 HydrophobicContact CG1-CD1 4Å |
| 695 | A | 89.2 | Confident | 88.6 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L366 Y644 N691 L692 I693 S699 | L366-A695 HydrophobicContact CD1-CB 3.57Å; L366-A695 HydrophobicContact CD2-CB 4.44Å; L366-A695 HydrophobicContact CG-CB 3.92Å; Y644-A695 HydrophobicContact CE1-CB 3.94Å; Y644-A695 PolarHBondContact OH-O 3.33Å; N691-A695 WeakPolarHBondContact O-CB 3.2Å; N691-A695 PolarHBondContact O-N 3.25Å; L692-A695 PolarHBondContact O-N 2.84Å; I693-A695 VanDerWaalsContact C-N 3.35Å; A695-S699 PolarHBondContact O-N 3.33Å; A695-S699 PolarHBondContact O-OG 3.06Å |
| 696 | L | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 171.7 | -71 | 170.4 | 0 | 0 | 0 | 110.5 | Y644 V649 L667 L670 L692 I693 R698 S699 E700 V705 | Y644-L696 HydrophobicContact CD2-CD2 3.89Å; Y644-L696 HydrophobicContact CE1-CD2 4.31Å; Y644-L696 HydrophobicContact CE2-CD2 3.53Å; Y644-L696 HydrophobicContact CG-CD2 4.43Å; V649-L696 HydrophobicContact CG2-CD2 4.37Å; L667-L696 HydrophobicContact CD1-CD2 3.99Å; L670-L696 HydrophobicContact CB-CD1 4.27Å; L692-L696 HydrophobicContact CD1-CD1 4.45Å; L692-L696 HydrophobicContact CD1-CG 4.3Å; L692-L696 HydrophobicContact CG-CD1 4.23Å; L692-L696 WeakPolarHBondContact O-CG 3.43Å; L692-L696 PolarHBondContact O-N 3.38Å; I693-L696 HydrophobicContact CD1-CD1 4.32Å; I693-L696 PolarHBondContact O-N 2.67Å; L696-R698 VanDerWaalsContact C-N 3.27Å; L696-R698 PolarHBondContact O-N 3.13Å; L696-S699 PolarHBondContact O-N 2.85Å; L696-E700 HydrophobicContact CD2-CG 4.26Å; L696-E700 VanDerWaalsContact O-CB 3.3Å; L696-E700 WeakPolarHBondContact O-CB 3.46Å; L696-E700 PolarHBondContact O-N 2.98Å; L696-V705 HydrophobicContact CB-CG2 4.41Å |
| 697 | Y | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -33.4 | 178.9 | -168.6 | -99.1 | 0 | 0 | 0 | 113 | I693 V694 R702 V705 R706 F729 I732 D733 | I693-Y697 VanDerWaalsContact O-CB 3.28Å; I693-Y697 WeakPolarHBondContact O-CB 3.45Å; I693-Y697 PolarHBondContact O-N 3.46Å; V694-Y697 PolarHBondContact O-N 3.32Å; Y697-R702 HydrophobicContact CD2-CB 4.35Å; Y697-R702 HydrophobicContact CD2-CG 4.29Å; Y697-R702 HydrophobicContact CE1-CG 4.19Å; Y697-R702 HydrophobicContact CE2-CB 3.69Å; Y697-R702 HydrophobicContact CE2-CG 3.9Å; Y697-R702 VanDerWaalsContact O-CG 3.26Å; Y697-R702 WeakPolarHBondContact O-CG 3.46Å; Y697-V705 HydrophobicContact CD2-CB 4.12Å; Y697-V705 HydrophobicContact CD2-CG1 3.9Å; Y697-R706 HydrophobicContact CE2-CG 3.92Å; Y697-R706 PolarHBondContact OH-NE 2.95Å; Y697-R706 PolarHBondContact OH-NH1 3.09Å; Y697-R706 PolarHBondContact OH-NH2 3.45Å; Y697-F729 VanDerWaalsContact CB-CE1 3.47Å; Y697-F729 HydrophobicContact CD1-CB 4.12Å; Y697-F729 AromaticContact CD1-CD1 3.42Å; Y697-F729 HydrophobicContact CD1-CD1 3.42Å; Y697-F729 VanDerWaalsContact CD1-CD1 3.42Å; Y697-F729 AromaticContact CD1-CE1 3.97Å; Y697-F729 HydrophobicContact CD1-CE1 3.97Å; Y697-F729 AromaticContact CD1-CG 3.87Å; Y697-F729 HydrophobicContact CD1-CG 3.87Å; Y697-F729 HydrophobicContact CD2-CD1 4.07Å; Y697-F729 HydrophobicContact CD2-CD2 4.3Å; Y697-F729 HydrophobicContact CD2-CE1 4.06Å; Y697-F729 HydrophobicContact CD2-CE2 4.3Å; Y697-F729 HydrophobicContact CD2-CG 4.19Å; Y697-F729 HydrophobicContact CD2-CZ 4.17Å; Y697-F729 HydrophobicContact CE1-CB 3.79Å; Y697-F729 HydrophobicContact CE1-CD1 4.01Å; Y697-F729 AromaticContact CE1-CG 3.99Å; Y697-F729 HydrophobicContact CE1-CG 3.99Å; Y697-F729 HydrophobicContact CE2-CD2 4.39Å; Y697-F729 HydrophobicContact CE2-CG 4.31Å; Y697-F729 AromaticContact CG-CD1 3.47Å; Y697-F729 HydrophobicContact CG-CD1 3.47Å; Y697-F729 VanDerWaalsContact CG-CD1 3.47Å; Y697-F729 AromaticContact CG-CE1 3.54Å; Y697-F729 HydrophobicContact CG-CE1 3.54Å; Y697-F729 AromaticContact CG-CG 3.99Å; Y697-F729 HydrophobicContact CG-CG 3.99Å; Y697-F729 HydrophobicContact CG-CZ 4.1Å; Y697-I732 HydrophobicContact CD1-CB 4.21Å; Y697-I732 HydrophobicContact CD1-CD1 3.96Å; Y697-I732 HydrophobicContact CD1-CG2 4.01Å; Y697-I732 HydrophobicContact CE1-CB 4.12Å; Y697-I732 HydrophobicContact CE1-CG2 3.99Å; Y697-D733 WeakPolarHBondContact CE1-OD1 3.3Å; Y697-D733 VanDerWaalsContact OH-CG 3.24Å; Y697-D733 PolarHBondContact OH-OD1 2.83Å; Y697-D733 PolarHBondContact OH-OD2 3.08Å |
| 698 | R | 86.2 | Confident | 87 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -38.7 | 178.4 | -171.3 | 173.8 | -178.3 | -170.8 | -2.1 | 113.1 | E363 V694 L696 | E363-R698 VanDerWaalsContact CA-NH1 3.3Å; E363-R698 VanDerWaalsContact CG-NH2 3.31Å; E363-R698 PolarHBondContact O-NH1 3.01Å; E363-R698 PolarHBondContact O-NH2 2.71Å; E363-R698 IonicContact OE1-NH2 2.59Å; V694-R698 WeakPolarHBondContact O-CB 3.28Å; V694-R698 PolarHBondContact O-N 3.36Å; L696-R698 VanDerWaalsContact C-N 3.27Å; L696-R698 PolarHBondContact O-N 3.13Å |
| 699 | S | 83.2 | Confident | 86.3 | Confident | 71 Ų | 71 | 41.6 Ų | 41.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -108.9 | -22.9 | -164.4 | -37.9 | 0 | 0 | 0 | 0 | 114.4 | Y644 A695 L696 | Y644-S699 WeakPolarHBondContact OH-CB 3.16Å; Y644-S699 PolarHBondContact OH-OG 2.85Å; A695-S699 PolarHBondContact O-N 3.33Å; A695-S699 PolarHBondContact O-OG 3.06Å; L696-S699 PolarHBondContact O-N 2.85Å |
| 700 | E | 84.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 29% | 0.29 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -110.4 | -174.4 | -174.9 | -58.7 | -68 | 165.5 | 0 | 0 | 111.3 | Y644 V649 L667 L696 R702 | Y644-E700 HydrophobicContact CE2-CG 4.25Å; V649-E700 HydrophobicContact CG2-CG 4.12Å; V649-E700 WeakPolarHBondContact CG2-OE1 3.26Å; L667-E700 HydrophobicContact CD1-CB 3.66Å; L667-E700 HydrophobicContact CD1-CG 3.86Å; L667-E700 HydrophobicContact CD2-CB 3.93Å; L667-E700 HydrophobicContact CG-CB 4.45Å; L696-E700 HydrophobicContact CD2-CG 4.26Å; L696-E700 VanDerWaalsContact O-CB 3.3Å; L696-E700 WeakPolarHBondContact O-CB 3.46Å; L696-E700 PolarHBondContact O-N 2.98Å; E700-R702 PolarHBondContact O-N 3.44Å |
| 701 | D | 83 | Confident | 83.6 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | trans | -65.5 | 104.5 | 178.2 | 176.2 | 27.1 | 0 | 0 | 0 | 112.3 | L667 A703 T704 V705 | L667-D701 HydrophobicContact CD2-CB 4.24Å; D701-A703 PolarHBondContact O-N 2.62Å; D701-A703 WeakPolarHBondContact OD1-CB 3.44Å; D701-A703 PolarHBondContact OD1-N 3.27Å; D701-A703 VanDerWaalsContact OD1-N 3.08Å; D701-T704 PolarHBondContact O-N 2.64Å; D701-T704 VanDerWaalsContact O-N 3.14Å; D701-T704 VanDerWaalsContact OD2-CB 3.3Å; D701-T704 WeakPolarHBondContact OD2-CB 3.38Å; D701-T704 PolarHBondContact OD2-N 2.83Å; D701-T704 PolarHBondContact OD2-OG1 3.23Å; D701-V705 PolarHBondContact O-N 3.29Å | ||
| 702 | R | 83.8 | Confident | 81.8 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 25% | 0.249 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.5 | -36.7 | 177.8 | -67 | 176.5 | -167.2 | 120.4 | 7.4 | 113 | Y697 E700 R706 Y736 | Y697-R702 HydrophobicContact CD2-CB 4.35Å; Y697-R702 HydrophobicContact CD2-CG 4.29Å; Y697-R702 HydrophobicContact CE1-CG 4.19Å; Y697-R702 HydrophobicContact CE2-CB 3.69Å; Y697-R702 HydrophobicContact CE2-CG 3.9Å; Y697-R702 VanDerWaalsContact O-CG 3.26Å; Y697-R702 WeakPolarHBondContact O-CG 3.46Å; E700-R702 PolarHBondContact O-N 3.44Å; R702-R706 WeakPolarHBondContact O-CB 3.34Å; R702-R706 PolarHBondContact O-N 3.13Å; R702-Y736 VanDerWaalsContact NH2-CD1 3.35Å |
| 703 | A | 80.5 | Confident | 80.2 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D701 R707 | D701-A703 PolarHBondContact O-N 2.62Å; D701-A703 WeakPolarHBondContact OD1-CB 3.44Å; D701-A703 PolarHBondContact OD1-N 3.27Å; D701-A703 VanDerWaalsContact OD1-N 3.08Å; A703-R707 WeakPolarHBondContact O-CB 3.1Å; A703-R707 PolarHBondContact O-N 3.31Å |
| 704 | T | 83 | Confident | 78.4 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | L667 D701 R707 L708 | L667-T704 HydrophobicContact CD2-CG2 3.93Å; L667-T704 HydrophobicContact CG-CG2 4.29Å; D701-T704 PolarHBondContact O-N 2.64Å; D701-T704 VanDerWaalsContact O-N 3.14Å; D701-T704 VanDerWaalsContact OD2-CB 3.3Å; D701-T704 WeakPolarHBondContact OD2-CB 3.38Å; D701-T704 PolarHBondContact OD2-N 2.83Å; D701-T704 PolarHBondContact OD2-OG1 3.23Å; T704-R707 PolarHBondContact O-N 3.08Å; T704-L708 HydrophobicContact CG2-CD1 3.73Å; T704-L708 HydrophobicContact CG2-CG 4.44Å; T704-L708 VanDerWaalsContact O-CG 3.29Å; T704-L708 WeakPolarHBondContact O-CG 3.46Å; T704-L708 PolarHBondContact O-N 2.78Å |
| 705 | V | 85 | Confident | 76.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -46 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L667 T671 I693 L696 Y697 D701 R707 L708 I709 | L667-V705 HydrophobicContact CD1-CG2 4.06Å; T671-V705 HydrophobicContact CG2-CG1 4.2Å; I693-V705 HydrophobicContact CD1-CG1 4.13Å; I693-V705 HydrophobicContact CG1-CG1 4.45Å; L696-V705 HydrophobicContact CB-CG2 4.41Å; Y697-V705 HydrophobicContact CD2-CB 4.12Å; Y697-V705 HydrophobicContact CD2-CG1 3.9Å; D701-V705 PolarHBondContact O-N 3.29Å; V705-R707 PolarHBondContact O-N 3.4Å; V705-L708 PolarHBondContact O-N 2.86Å; V705-I709 HydrophobicContact CG1-CD1 3.74Å; V705-I709 WeakPolarHBondContact O-CD1 3.4Å; V705-I709 VanDerWaalsContact O-CG1 3.32Å; V705-I709 WeakPolarHBondContact O-CG1 3.48Å; V705-I709 PolarHBondContact O-N 3.27Å |
| 706 | R | 83.1 | Confident | 75.4 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.2 | -91.3 | 172.4 | 169.6 | 154.1 | -0 | 113.6 | Y697 R702 L708 L711 D733 | Y697-R706 HydrophobicContact CE2-CG 3.92Å; Y697-R706 PolarHBondContact OH-NE 2.95Å; Y697-R706 PolarHBondContact OH-NH1 3.09Å; Y697-R706 PolarHBondContact OH-NH2 3.45Å; R702-R706 WeakPolarHBondContact O-CB 3.34Å; R702-R706 PolarHBondContact O-N 3.13Å; R706-L708 VanDerWaalsContact C-N 3.28Å; R706-L708 PolarHBondContact O-N 2.8Å; R706-L711 HydrophobicContact CB-CD1 4.44Å; R706-L711 HydrophobicContact CG-CD1 4.1Å; R706-D733 IonicContact CZ-OD2 2.82Å; R706-D733 IonicContact NH1-OD1 2.67Å; R706-D733 IonicContact NH1-OD2 2.78Å; R706-D733 PolarHBondContact NH1-OD2 3.44Å; R706-D733 IonicContact NH2-OD1 3.85Å; R706-D733 IonicContact NH2-OD2 3.49Å; R706-D733 PolarHBondContact NH2-OD2 2.88Å |
| 707 | R | 83.2 | Confident | 74 | Confident | 187 Ų | 187 | 63.2 Ų | 63.2 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.9 | -30.7 | -177.7 | -175 | -177.3 | 63.3 | -171.6 | -4.8 | 112.6 | A703 T704 V705 | A703-R707 WeakPolarHBondContact O-CB 3.1Å; A703-R707 PolarHBondContact O-N 3.31Å; T704-R707 PolarHBondContact O-N 3.08Å; V705-R707 PolarHBondContact O-N 3.4Å |
| 708 | L | 79.9 | Confident | 72.8 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -89.8 | -20.8 | -174.1 | -69.5 | 173.4 | 0 | 0 | 0 | 113.8 | E668 T671 V672 T704 V705 R706 | E668-L708 HydrophobicContact CB-CD1 4Å; E668-L708 HydrophobicContact CG-CD1 3.82Å; E668-L708 HydrophobicContact CG-CD2 4.07Å; T671-L708 HydrophobicContact CG2-CB 3.65Å; T671-L708 HydrophobicContact CG2-CD1 4.17Å; V672-L708 HydrophobicContact CG2-CD2 4.24Å; T704-L708 HydrophobicContact CG2-CD1 3.73Å; T704-L708 HydrophobicContact CG2-CG 4.44Å; T704-L708 VanDerWaalsContact O-CG 3.29Å; T704-L708 WeakPolarHBondContact O-CG 3.46Å; T704-L708 PolarHBondContact O-N 2.78Å; V705-L708 PolarHBondContact O-N 2.86Å; R706-L708 VanDerWaalsContact C-N 3.28Å; R706-L708 PolarHBondContact O-N 2.8Å |
| 709 | I | 77.3 | Confident | 72.1 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -82.4 | 133.8 | 173.7 | -58.2 | 162.9 | 0 | 0 | 0 | 107.9 | T671 A675 I693 V705 L711 Y722 F729 | T671-I709 HydrophobicContact CG2-CG1 4.02Å; A675-I709 HydrophobicContact CB-CG1 4.5Å; I693-I709 HydrophobicContact CD1-CD1 3.75Å; I693-I709 HydrophobicContact CD1-CG1 4.11Å; I693-I709 HydrophobicContact CG1-CD1 3.58Å; I693-I709 HydrophobicContact CG1-CG1 4.38Å; V705-I709 HydrophobicContact CG1-CD1 3.74Å; V705-I709 WeakPolarHBondContact O-CD1 3.4Å; V705-I709 VanDerWaalsContact O-CG1 3.32Å; V705-I709 WeakPolarHBondContact O-CG1 3.48Å; V705-I709 PolarHBondContact O-N 3.27Å; I709-L711 HydrophobicContact CB-CD1 4.25Å; I709-L711 HydrophobicContact CB-CD2 4.1Å; I709-L711 HydrophobicContact CB-CG 3.81Å; I709-L711 HydrophobicContact CG2-CD1 4.5Å; I709-L711 HydrophobicContact CG2-CD2 3.44Å; I709-L711 VanDerWaalsContact CG2-CD2 3.44Å; I709-L711 HydrophobicContact CG2-CG 3.68Å; I709-L711 PolarHBondContact O-N 2.8Å; I709-Y722 HydrophobicContact CG2-CE1 4.16Å; I709-F729 HydrophobicContact CD1-CE2 3.83Å; I709-F729 HydrophobicContact CD1-CZ 3.93Å |
| 710 | P | 65.6 | Low | 71.8 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -67 | 62.2 | 174.2 | -18.8 | 32.4 | 0 | 0 | 0 | 113.3 | D712 S716 | P710-D712 VanDerWaalsContact C-N 3.33Å; P710-S716 VanDerWaalsContact O-CB 3.23Å; P710-S716 WeakPolarHBondContact O-CB 3.31Å; P710-S716 PolarHBondContact O-OG 3.27Å | ||
| 711 | L | 62.5 | Low | 71.7 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20.2 | -176.9 | -63 | 175.7 | 0 | 0 | 0 | 112.8 | R706 I709 N717 Y722 L726 | R706-L711 HydrophobicContact CB-CD1 4.44Å; R706-L711 HydrophobicContact CG-CD1 4.1Å; I709-L711 HydrophobicContact CB-CD1 4.25Å; I709-L711 HydrophobicContact CB-CD2 4.1Å; I709-L711 HydrophobicContact CB-CG 3.81Å; I709-L711 HydrophobicContact CG2-CD1 4.5Å; I709-L711 HydrophobicContact CG2-CD2 3.44Å; I709-L711 VanDerWaalsContact CG2-CD2 3.44Å; I709-L711 HydrophobicContact CG2-CG 3.68Å; I709-L711 PolarHBondContact O-N 2.8Å; L711-N717 PolarHBondContact O-ND2 2.93Å; L711-Y722 HydrophobicContact CD2-CD1 4.41Å; L711-L726 HydrophobicContact CD1-CD2 4.03Å; L711-L726 HydrophobicContact CD2-CD2 3.77Å; L711-L726 HydrophobicContact CD2-CG 4.19Å; L711-L726 HydrophobicContact CG-CD2 4.35Å |
| 712 | D | 55 | Low | 71.7 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 86% | 0.861 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -0.4 | -173.6 | -59.9 | -29.2 | 0 | 0 | 0 | 113.8 | P710 | P710-D712 VanDerWaalsContact C-N 3.33Š|
| 713 | D | 58.5 | Low | 71.5 | Confident | 80 Ų | 80 | 66 Ų | 66 | 43% | 0.428 | 33% | 0.334 | S | S | . | . | trans | -78.1 | 126.6 | 171.9 | -162.8 | -14.1 | 0 | 0 | 0 | 109.4 | N715 S716 N717 | D713-N715 PolarHBondContact O-N 2.93Å; D713-N715 PolarHBondContact OD1-N 3.07Å; D713-N715 PolarHBondContact OD1-ND2 2.71Å; D713-N715 VanDerWaalsContact OD1-ND2 3.17Å; D713-S716 WeakPolarHBondContact O-CA 3.47Å; D713-S716 WeakPolarHBondContact O-CB 3.36Å; D713-S716 PolarHBondContact O-N 3.16Å; D713-N717 PolarHBondContact O-N 3.43Å | ||
| 714 | V | 53.6 | Low | 71.7 | Confident | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.418 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.3 | -29.5 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | R718 P983 | V714-R718 WeakPolarHBondContact O-CG 3.47Å; V714-R718 PolarHBondContact O-N 3.23Å; V714-P983 HydrophobicContact CG1-CG 4.27Å |
| 715 | N | 57.8 | Low | 71.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.3 | -36.2 | 175.5 | -60.7 | -49.5 | 0 | 0 | 0 | 113.1 | D713 R718 H719 | D713-N715 PolarHBondContact O-N 2.93Å; D713-N715 PolarHBondContact OD1-N 3.07Å; D713-N715 PolarHBondContact OD1-ND2 2.71Å; D713-N715 VanDerWaalsContact OD1-ND2 3.17Å; N715-R718 PolarHBondContact O-N 3.26Å; N715-H719 PolarHBondContact O-N 2.97Å |
| 716 | S | 59.6 | Low | 71.7 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | P710 D713 R718 H719 Y722 | P710-S716 VanDerWaalsContact O-CB 3.23Å; P710-S716 WeakPolarHBondContact O-CB 3.31Å; P710-S716 PolarHBondContact O-OG 3.27Å; D713-S716 WeakPolarHBondContact O-CA 3.47Å; D713-S716 WeakPolarHBondContact O-CB 3.36Å; D713-S716 PolarHBondContact O-N 3.16Å; S716-R718 PolarHBondContact O-N 2.88Å; S716-H719 PolarHBondContact O-N 3.13Å; S716-Y722 VanDerWaalsContact O-CB 3.23Å; S716-Y722 WeakPolarHBondContact O-CB 3.37Å |
| 717 | N | 60.3 | Low | 71.7 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -25.3 | 179.1 | -82.9 | -38.7 | 0 | 0 | 0 | 114.2 | L711 D713 H719 L726 | L711-N717 PolarHBondContact O-ND2 2.93Å; D713-N717 PolarHBondContact O-N 3.43Å; N717-H719 VanDerWaalsContact C-N 3.33Å; N717-L726 WeakPolarHBondContact OD1-CD1 3.38Å |
| 718 | R | 63.8 | Low | 71.8 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -74.5 | -22.5 | 174 | -72.2 | 176.3 | -178.9 | -158.6 | -0.4 | 113.2 | V714 N715 S716 | V714-R718 WeakPolarHBondContact O-CG 3.47Å; V714-R718 PolarHBondContact O-N 3.23Å; N715-R718 PolarHBondContact O-N 3.26Å; S716-R718 PolarHBondContact O-N 2.88Å |
| 719 | H | 70.7 | Confident | 72.1 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -83.1 | 122.8 | -174.7 | -173 | -81.1 | 0 | 0 | 0 | 110.3 | N715 S716 N717 L721 Y722 R723 | N715-H719 PolarHBondContact O-N 2.97Å; S716-H719 PolarHBondContact O-N 3.13Å; N717-H719 VanDerWaalsContact C-N 3.33Å; H719-L721 WeakPolarHBondContact ND1-CB 3.24Å; H719-L721 PolarHBondContact O-N 3.2Å; H719-Y722 HydrophobicContact CB-CD2 3.97Å; H719-Y722 AromaticContact ND1-CD2 3.96Å; H719-Y722 PolarHBondContact O-N 3.41Å; H719-R723 PolarHBondContact O-N 3.3Å |
| 720 | P | 78.6 | Confident | 72.4 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.3 | -32.8 | -170.4 | -29 | 33.8 | 0 | 0 | 0 | 115.1 | R724 | P720-R724 WeakPolarHBondContact O-CB 3.45Å; P720-R724 PolarHBondContact O-N 2.96Å |
| 721 | L | 81 | Confident | 73.2 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.1 | -176.3 | 149.1 | 0 | 0 | 0 | 112.3 | L678 R686 H719 R724 L725 | L678-L721 HydrophobicContact CB-CD2 4.1Å; L678-L721 HydrophobicContact CD1-CD2 4.41Å; L678-L721 HydrophobicContact CD2-CD2 3.79Å; L678-L721 HydrophobicContact CG-CD2 4.31Å; R686-L721 HydrophobicContact CB-CD1 3.76Å; R686-L721 HydrophobicContact CG-CD1 4.35Å; H719-L721 WeakPolarHBondContact ND1-CB 3.24Å; H719-L721 PolarHBondContact O-N 3.2Å; L721-R724 PolarHBondContact O-N 2.8Å; L721-L725 WeakPolarHBondContact O-CB 3.31Å; L721-L725 PolarHBondContact O-N 2.88Å |
| 722 | Y | 82.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.9 | -35.3 | -178.8 | -73.6 | -84.2 | 0 | 0 | 0 | 111.1 | L678 D679 I709 L711 S716 H719 L725 L726 | L678-Y722 HydrophobicContact CD1-CE1 4.03Å; D679-Y722 PolarHBondContact OD1-OH 2.92Å; I709-Y722 HydrophobicContact CG2-CE1 4.16Å; L711-Y722 HydrophobicContact CD2-CD1 4.41Å; S716-Y722 VanDerWaalsContact O-CB 3.23Å; S716-Y722 WeakPolarHBondContact O-CB 3.37Å; H719-Y722 HydrophobicContact CB-CD2 3.97Å; H719-Y722 AromaticContact ND1-CD2 3.96Å; H719-Y722 PolarHBondContact O-N 3.41Å; Y722-L725 PolarHBondContact O-N 3.45Å; Y722-L726 WeakPolarHBondContact O-CB 3.22Å; Y722-L726 WeakPolarHBondContact O-CG 3.33Å; Y722-L726 PolarHBondContact O-N 3.44Å |
| 723 | R | 81.2 | Confident | 75.3 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 173.2 | -168.6 | -175.4 | -71.7 | 149.6 | -8.7 | 111.6 | H719 G727 E913 E984 | H719-R723 PolarHBondContact O-N 3.3Å; R723-G727 PolarHBondContact O-N 3.27Å; R723-E913 IonicContact NH2-OE1 3.83Å; R723-E984 IonicContact CZ-OE1 3.93Å; R723-E984 IonicContact NH2-OE1 3.76Å; R723-E984 PolarHBondContact NH2-OE1 3.11Å; R723-E984 IonicContact NH2-OE2 2.71Å |
| 724 | R | 84 | Confident | 76 | Confident | 148 Ų | 148 | 57 Ų | 57 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -45 | 174.2 | -172.9 | -169.6 | -52.8 | 176.3 | 0.1 | 111.5 | E690 P720 L721 G727 K728 | E690-R724 VanDerWaalsContact OE1-CD 3.24Å; E690-R724 WeakPolarHBondContact OE1-CD 3.41Å; E690-R724 IonicContact OE2-NH1 3.31Å; P720-R724 WeakPolarHBondContact O-CB 3.45Å; P720-R724 PolarHBondContact O-N 2.96Å; L721-R724 PolarHBondContact O-N 2.8Å; R724-G727 PolarHBondContact O-N 2.79Å; R724-K728 PolarHBondContact O-N 2.79Å |
| 725 | L | 85.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.9 | -179.3 | 62.1 | 0 | 0 | 0 | 112.5 | L678 E690 I693 V694 L721 Y722 G727 K728 F729 | L678-L725 HydrophobicContact CD1-CD2 3.89Å; E690-L725 HydrophobicContact CG-CD1 4.29Å; I693-L725 HydrophobicContact CG2-CD1 3.42Å; I693-L725 VanDerWaalsContact CG2-CD1 3.42Å; I693-L725 HydrophobicContact CG2-CD2 3.78Å; I693-L725 HydrophobicContact CG2-CG 4.25Å; V694-L725 HydrophobicContact CG2-CD1 3.63Å; L721-L725 WeakPolarHBondContact O-CB 3.31Å; L721-L725 PolarHBondContact O-N 2.88Å; Y722-L725 PolarHBondContact O-N 3.45Å; L725-G727 VanDerWaalsContact C-N 3.29Å; L725-G727 PolarHBondContact O-N 2.96Å; L725-K728 WeakPolarHBondContact O-CB 3.47Å; L725-K728 PolarHBondContact O-N 2.99Å; L725-K728 VanDerWaalsContact O-N 3.12Å; L725-F729 HydrophobicContact CD1-CD1 4.22Å; L725-F729 HydrophobicContact CD1-CE1 3.54Å; L725-F729 HydrophobicContact CD1-CE2 4.33Å; L725-F729 HydrophobicContact CD1-CZ 3.61Å; L725-F729 HydrophobicContact CD2-CE2 4.21Å; L725-F729 HydrophobicContact CD2-CZ 3.98Å; L725-F729 HydrophobicContact CG-CD2 4.5Å; L725-F729 HydrophobicContact CG-CE1 4.05Å; L725-F729 HydrophobicContact CG-CE2 3.94Å; L725-F729 HydrophobicContact CG-CZ 3.69Å; L725-F729 WeakPolarHBondContact O-CG 3.39Å; L725-F729 PolarHBondContact O-N 3.06Å |
| 726 | L | 82.9 | Confident | 76.4 | Confident | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 174.5 | -75.5 | 172.3 | 0 | 0 | 0 | 112 | L711 N717 Y722 F729 S730 | L711-L726 HydrophobicContact CD1-CD2 4.03Å; L711-L726 HydrophobicContact CD2-CD2 3.77Å; L711-L726 HydrophobicContact CD2-CG 4.19Å; L711-L726 HydrophobicContact CG-CD2 4.35Å; N717-L726 WeakPolarHBondContact OD1-CD1 3.38Å; Y722-L726 WeakPolarHBondContact O-CB 3.22Å; Y722-L726 WeakPolarHBondContact O-CG 3.33Å; Y722-L726 PolarHBondContact O-N 3.44Å; L726-F729 HydrophobicContact CD2-CD2 4.36Å; L726-F729 PolarHBondContact O-N 2.97Å; L726-S730 WeakPolarHBondContact O-CB 3.44Å; L726-S730 PolarHBondContact O-N 2.8Å; L726-S730 PolarHBondContact O-OG 2.83Å |
| 727 | G | 82.8 | Confident | 75.8 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | R723 R724 L725 S730 R731 | R723-G727 PolarHBondContact O-N 3.27Å; R724-G727 PolarHBondContact O-N 2.79Å; L725-G727 VanDerWaalsContact C-N 3.29Å; L725-G727 PolarHBondContact O-N 2.96Å; G727-S730 PolarHBondContact O-N 2.92Å; G727-R731 WeakPolarHBondContact O-CG 3.22Å; G727-R731 PolarHBondContact O-N 3.34Å; G727-R731 VanDerWaalsContact O-N 3.13Å |
| 728 | K | 84.8 | Confident | 74.8 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.7 | -70.7 | -179.3 | 173.2 | 178.6 | 0 | 112.2 | E690 V694 R724 L725 S730 R731 I732 | E690-K728 VanDerWaalsContact OE1-CE 3.29Å; E690-K728 WeakPolarHBondContact OE1-CE 3.39Å; E690-K728 IonicContact OE1-NZ 2.85Å; E690-K728 PolarHBondContact OE1-NZ 2.94Å; V694-K728 HydrophobicContact CG2-CB 4.28Å; V694-K728 HydrophobicContact CG2-CD 3.86Å; R724-K728 PolarHBondContact O-N 2.79Å; L725-K728 WeakPolarHBondContact O-CB 3.47Å; L725-K728 PolarHBondContact O-N 2.99Å; L725-K728 VanDerWaalsContact O-N 3.12Å; K728-S730 VanDerWaalsContact C-N 3.33Å; K728-S730 PolarHBondContact O-N 2.73Å; K728-R731 PolarHBondContact O-N 3.15Å; K728-I732 WeakPolarHBondContact O-CG1 3.47Å; K728-I732 PolarHBondContact O-N 3.27Å; K728-I732 VanDerWaalsContact O-N 3.1Å |
| 729 | F | 86.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.5 | -67.4 | -11.3 | 0 | 0 | 0 | 112.5 | I693 V694 Y697 I709 L725 L726 R731 I732 D733 | I693-F729 HydrophobicContact CG1-CZ 4.09Å; I693-F729 HydrophobicContact CG2-CZ 4.45Å; V694-F729 HydrophobicContact CG2-CE1 4.33Å; Y697-F729 VanDerWaalsContact CB-CE1 3.47Å; Y697-F729 HydrophobicContact CD1-CB 4.12Å; Y697-F729 AromaticContact CD1-CD1 3.42Å; Y697-F729 HydrophobicContact CD1-CD1 3.42Å; Y697-F729 VanDerWaalsContact CD1-CD1 3.42Å; Y697-F729 AromaticContact CD1-CE1 3.97Å; Y697-F729 HydrophobicContact CD1-CE1 3.97Å; Y697-F729 AromaticContact CD1-CG 3.87Å; Y697-F729 HydrophobicContact CD1-CG 3.87Å; Y697-F729 HydrophobicContact CD2-CD1 4.07Å; Y697-F729 HydrophobicContact CD2-CD2 4.3Å; Y697-F729 HydrophobicContact CD2-CE1 4.06Å; Y697-F729 HydrophobicContact CD2-CE2 4.3Å; Y697-F729 HydrophobicContact CD2-CG 4.19Å; Y697-F729 HydrophobicContact CD2-CZ 4.17Å; Y697-F729 HydrophobicContact CE1-CB 3.79Å; Y697-F729 HydrophobicContact CE1-CD1 4.01Å; Y697-F729 AromaticContact CE1-CG 3.99Å; Y697-F729 HydrophobicContact CE1-CG 3.99Å; Y697-F729 HydrophobicContact CE2-CD2 4.39Å; Y697-F729 HydrophobicContact CE2-CG 4.31Å; Y697-F729 AromaticContact CG-CD1 3.47Å; Y697-F729 HydrophobicContact CG-CD1 3.47Å; Y697-F729 VanDerWaalsContact CG-CD1 3.47Å; Y697-F729 AromaticContact CG-CE1 3.54Å; Y697-F729 HydrophobicContact CG-CE1 3.54Å; Y697-F729 AromaticContact CG-CG 3.99Å; Y697-F729 HydrophobicContact CG-CG 3.99Å; Y697-F729 HydrophobicContact CG-CZ 4.1Å; I709-F729 HydrophobicContact CD1-CE2 3.83Å; I709-F729 HydrophobicContact CD1-CZ 3.93Å; L725-F729 HydrophobicContact CD1-CD1 4.22Å; L725-F729 HydrophobicContact CD1-CE1 3.54Å; L725-F729 HydrophobicContact CD1-CE2 4.33Å; L725-F729 HydrophobicContact CD1-CZ 3.61Å; L725-F729 HydrophobicContact CD2-CE2 4.21Å; L725-F729 HydrophobicContact CD2-CZ 3.98Å; L725-F729 HydrophobicContact CG-CD2 4.5Å; L725-F729 HydrophobicContact CG-CE1 4.05Å; L725-F729 HydrophobicContact CG-CE2 3.94Å; L725-F729 HydrophobicContact CG-CZ 3.69Å; L725-F729 WeakPolarHBondContact O-CG 3.39Å; L725-F729 PolarHBondContact O-N 3.06Å; L726-F729 HydrophobicContact CD2-CD2 4.36Å; L726-F729 PolarHBondContact O-N 2.97Å; F729-R731 VanDerWaalsContact C-N 3.34Å; F729-R731 PolarHBondContact O-N 3.31Å; F729-I732 PolarHBondContact O-N 2.85Å; F729-D733 PolarHBondContact O-N 3.16Å |
| 730 | S | 83.6 | Confident | 72.4 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 53% | 0.531 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 112 | L726 G727 K728 D733 G734 | L726-S730 WeakPolarHBondContact O-CB 3.44Å; L726-S730 PolarHBondContact O-N 2.8Å; L726-S730 PolarHBondContact O-OG 2.83Å; G727-S730 PolarHBondContact O-N 2.92Å; K728-S730 VanDerWaalsContact C-N 3.33Å; K728-S730 PolarHBondContact O-N 2.73Å; S730-D733 PolarHBondContact O-N 3.22Å; S730-G734 PolarHBondContact O-N 2.99Å; S730-G734 VanDerWaalsContact O-N 3.11Å |
| 731 | R | 83.3 | Confident | 70.5 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 173.2 | -68.5 | 179.8 | -167.4 | 179.7 | 4.3 | 112.5 | D362 G727 K728 F729 G734 | D362-R731 IonicContact OD2-CZ 3.64Å; D362-R731 IonicContact OD2-NH1 2.64Å; D362-R731 PolarHBondContact OD2-NH1 3.31Å; G727-R731 WeakPolarHBondContact O-CG 3.22Å; G727-R731 PolarHBondContact O-N 3.34Å; G727-R731 VanDerWaalsContact O-N 3.13Å; K728-R731 PolarHBondContact O-N 3.15Å; F729-R731 VanDerWaalsContact C-N 3.34Å; F729-R731 PolarHBondContact O-N 3.31Å; R731-G734 PolarHBondContact O-N 3.16Å |
| 732 | I | 79.9 | Confident | 68.6 | Low | 22 Ų | 22 | 79 Ų | 79 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.9 | -67.6 | 166.5 | 0 | 0 | 0 | 110.2 | V694 Y697 K728 F729 G734 R735 Y736 | V694-I732 HydrophobicContact CG1-CD1 4Å; Y697-I732 HydrophobicContact CD1-CB 4.21Å; Y697-I732 HydrophobicContact CD1-CD1 3.96Å; Y697-I732 HydrophobicContact CD1-CG2 4.01Å; Y697-I732 HydrophobicContact CE1-CB 4.12Å; Y697-I732 HydrophobicContact CE1-CG2 3.99Å; K728-I732 WeakPolarHBondContact O-CG1 3.47Å; K728-I732 PolarHBondContact O-N 3.27Å; K728-I732 VanDerWaalsContact O-N 3.1Å; F729-I732 PolarHBondContact O-N 2.85Å; I732-G734 VanDerWaalsContact C-N 3.34Å; I732-G734 PolarHBondContact O-N 3.02Å; I732-R735 PolarHBondContact O-N 3.32Å; I732-R735 VanDerWaalsContact O-N 3.16Å; I732-Y736 HydrophobicContact CG2-CD2 4.2Å; I732-Y736 HydrophobicContact CG2-CE2 4.38Å; I732-Y736 WeakPolarHBondContact O-CD2 3.46Å; I732-Y736 PolarHBondContact O-N 3.46Å |
| 733 | D | 80.5 | Confident | 66.4 | Low | 37 Ų | 37 | 89.5 Ų | 89.5 | 20% | 0.198 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.9 | -81.5 | 15.1 | 0 | 0 | 0 | 112.7 | Y697 R706 F729 S730 R735 Y736 D737 | Y697-D733 WeakPolarHBondContact CE1-OD1 3.3Å; Y697-D733 VanDerWaalsContact OH-CG 3.24Å; Y697-D733 PolarHBondContact OH-OD1 2.83Å; Y697-D733 PolarHBondContact OH-OD2 3.08Å; R706-D733 IonicContact CZ-OD2 2.82Å; R706-D733 IonicContact NH1-OD1 2.67Å; R706-D733 IonicContact NH1-OD2 2.78Å; R706-D733 PolarHBondContact NH1-OD2 3.44Å; R706-D733 IonicContact NH2-OD1 3.85Å; R706-D733 IonicContact NH2-OD2 3.49Å; R706-D733 PolarHBondContact NH2-OD2 2.88Å; F729-D733 PolarHBondContact O-N 3.16Å; S730-D733 PolarHBondContact O-N 3.22Å; D733-R735 PolarHBondContact O-N 2.9Å; D733-R735 VanDerWaalsContact O-N 3.09Å; D733-Y736 PolarHBondContact O-N 2.94Å; D733-D737 PolarHBondContact O-N 3.37Å; D733-D737 VanDerWaalsContact O-N 3.08Å |
| 734 | G | 73 | Confident | 64.3 | Low | 58 Ų | 58 | 91.4 Ų | 91.4 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.3 | -19.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S730 R731 I732 | S730-G734 PolarHBondContact O-N 2.99Å; S730-G734 VanDerWaalsContact O-N 3.11Å; R731-G734 PolarHBondContact O-N 3.16Å; I732-G734 VanDerWaalsContact C-N 3.34Å; I732-G734 PolarHBondContact O-N 3.02Å |
| 735 | R | 63.6 | Low | 61.9 | Low | 117 Ų | 117 | 91 Ų | 91 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -89 | -25.1 | 175.4 | -69.9 | -177.2 | 178.4 | -117.6 | -18.1 | 114 | D360 E363 I732 D733 | D360-R735 IonicContact OD2-CZ 3.79Å; D360-R735 IonicContact OD2-NE 3.1Å; D360-R735 IonicContact OD2-NH1 2.99Å; D360-R735 IonicContact OD2-NH2 3Å; D360-R735 PolarHBondContact OD2-NH2 3.36Å; E363-R735 IonicContact OE1-CZ 3.46Å; E363-R735 IonicContact OE1-NH1 2.93Å; E363-R735 PolarHBondContact OE1-NH1 3.47Å; E363-R735 IonicContact OE2-NH1 2.67Å; I732-R735 PolarHBondContact O-N 3.32Å; I732-R735 VanDerWaalsContact O-N 3.16Å; D733-R735 PolarHBondContact O-N 2.9Å; D733-R735 VanDerWaalsContact O-N 3.09Å |
| 736 | Y | 57.4 | Low | 59.7 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 48% | 0.475 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -103 | -8.3 | -175.4 | -80.6 | -86.5 | 0 | 0 | 0 | 114 | R702 I732 D733 | R702-Y736 VanDerWaalsContact NH2-CD1 3.35Å; I732-Y736 HydrophobicContact CG2-CD2 4.2Å; I732-Y736 HydrophobicContact CG2-CE2 4.38Å; I732-Y736 WeakPolarHBondContact O-CD2 3.46Å; I732-Y736 PolarHBondContact O-N 3.46Å; D733-Y736 PolarHBondContact O-N 2.94Å |
| 737 | D | 46.3 | Very low | 57.9 | Low | 121 Ų | 121 | 98.3 Ų | 98.3 | 65% | 0.647 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -61 | 123.5 | 164.7 | -86.5 | -30.9 | 0 | 0 | 0 | 108.8 | D733 | D733-D737 PolarHBondContact O-N 3.37Å; D733-D737 VanDerWaalsContact O-N 3.08Å |
| 738 | P | 40.1 | Very low | 56.2 | Low | 88 Ų | 88 | 105.2 Ų | 105.2 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | trans | -57.8 | 139.5 | 176.1 | 23.9 | -30.4 | 0 | 0 | 0 | 107.7 | L740 | P738-L740 PolarHBondContact O-N 2.98Š| ||
| 739 | P | 40.3 | Very low | 54.4 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 77% | 0.773 | 58% | 0.581 | S | S | * | * | trans | -56.5 | 109.3 | 173.1 | 22.6 | -30.1 | 0 | 0 | 0 | 107.1 | N741 | P739-N741 PolarHBondContact O-N 3.43Š| ||
| 740 | L | 42.8 | Very low | 52.7 | Low | 152 Ų | 152 | 109.3 Ų | 109.3 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -72 | 65.8 | 175 | -73.8 | 173.5 | 0 | 0 | 0 | 108.4 | P738 | P738-L740 PolarHBondContact O-N 2.98Š|
| 741 | N | 39.4 | Very low | 51.6 | Low | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 61% | 0.606 | S | S | * | * | trans | -123.8 | 4.8 | 176.9 | -107.4 | 2.1 | 0 | 0 | 0 | 114.8 | P739 | P739-N741 PolarHBondContact O-N 3.43Š| ||
| 742 | D | 40.3 | Very low | 50.2 | Low | 167 Ų | 167 | 113 Ų | 113 | 89% | 0.893 | 62% | 0.621 | S | S | * | * | trans | -122.9 | 44.3 | 172.7 | -89.1 | -29.2 | 0 | 0 | 0 | 113.2 | ||||
| 743 | R | 35.8 | Very low | 49.7 | Very low | 226 Ų | 226 | 117.9 Ų | 117.9 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -116.6 | 123.9 | 160.5 | -111.1 | -178.1 | 179.2 | -163.6 | 0.6 | 110.8 | ||
| 744 | P | 37.6 | Very low | 49.4 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | trans | -58.6 | 140.7 | -172.1 | 20.5 | -30.7 | 0 | 0 | 0 | 111.1 | G746 | P744-G746 PolarHBondContact O-N 2.96Š| ||
| 745 | P | 32.9 | Very low | 49.3 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 90% | 0.903 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 77.9 | -177.2 | 31 | -33.2 | 0 | 0 | 0 | 109.4 | ||
| 746 | G | 40.5 | Very low | 49.7 | Very low | 54 Ų | 54 | 124.3 Ų | 124.3 | 56% | 0.557 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | -22.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P744 | P744-G746 PolarHBondContact O-N 2.96Š|
| 747 | I | 44.8 | Very low | 50.8 | Low | 142 Ų | 142 | 124.1 Ų | 124.1 | 73% | 0.728 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -119.4 | -25.8 | -166.7 | -54.8 | 179.1 | 0 | 0 | 0 | 112.9 | ||
| 748 | K | 45.5 | Very low | 52.4 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.1 | -16.6 | 179.5 | -66.8 | -173.2 | 178.4 | -178.3 | 0 | 114.4 | ||
| 749 | A | 48.4 | Very low | 54.1 | Low | 63 Ų | 63 | 121.9 Ų | 121.9 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.8 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V751 K752 Q753 | A749-V751 VanDerWaalsContact C-N 3.35Å; A749-V751 PolarHBondContact O-N 3.34Å; A749-K752 PolarHBondContact O-N 3.5Å; A749-Q753 WeakPolarHBondContact O-CB 3.35Å; A749-Q753 PolarHBondContact O-N 3Å |
| 750 | S | 51.6 | Low | 56 | Low | 73 Ų | 73 | 122 Ų | 122 | 51% | 0.51 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.3 | -32.2 | -178.7 | 168.4 | 0 | 0 | 0 | 0 | 113.8 | K754 | S750-K754 PolarHBondContact O-N 3.31Å |
| 751 | V | 59.6 | Low | 57.9 | Low | 91 Ų | 91 | 120.9 Ų | 120.9 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.8 | -43.4 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | A749 Q753 K754 E755 | A749-V751 VanDerWaalsContact C-N 3.35Å; A749-V751 PolarHBondContact O-N 3.34Å; V751-Q753 PolarHBondContact O-N 2.76Å; V751-K754 PolarHBondContact O-N 3.34Å; V751-E755 PolarHBondContact O-N 2.9Å; V751-E755 VanDerWaalsContact O-N 3.07Å |
| 752 | K | 54.9 | Low | 59.7 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67 | -34.8 | 175.3 | -72.4 | -171.6 | 174.6 | -172.4 | 0 | 112.8 | A749 E755 V756 | A749-K752 PolarHBondContact O-N 3.5Å; K752-E755 PolarHBondContact O-N 3.14Å; K752-V756 WeakPolarHBondContact O-CB 3.47Å; K752-V756 VanDerWaalsContact O-CG2 3.23Å; K752-V756 WeakPolarHBondContact O-CG2 3.41Å; K752-V756 PolarHBondContact O-N 3.31Å |
| 753 | Q | 68.6 | Low | 61.5 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 176.9 | -154.9 | 95.7 | 20.3 | 0 | 0 | 111.5 | A749 V751 V756 E757 | A749-Q753 WeakPolarHBondContact O-CB 3.35Å; A749-Q753 PolarHBondContact O-N 3Å; V751-Q753 PolarHBondContact O-N 2.76Å; Q753-V756 PolarHBondContact O-N 2.99Å; Q753-E757 PolarHBondContact O-N 3.13Å |
| 754 | K | 74 | Confident | 63.7 | Low | 147 Ų | 147 | 109.9 Ų | 109.9 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.7 | -36 | 176.2 | -79.2 | -175 | 174.1 | -177.8 | 0 | 113 | S750 V751 A758 | S750-K754 PolarHBondContact O-N 3.31Å; V751-K754 PolarHBondContact O-N 3.34Å; K754-A758 WeakPolarHBondContact O-CB 3.49Å; K754-A758 PolarHBondContact O-N 2.97Å |
| 755 | E | 70.9 | Confident | 65.7 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -38.5 | 174.1 | -114.1 | 174.2 | 169.1 | 0 | 0 | 112 | V751 K752 L759 | V751-E755 PolarHBondContact O-N 2.9Å; V751-E755 VanDerWaalsContact O-N 3.07Å; K752-E755 PolarHBondContact O-N 3.14Å; E755-L759 WeakPolarHBondContact O-CB 3.37Å; E755-L759 VanDerWaalsContact O-CG 3.27Å; E755-L759 WeakPolarHBondContact O-CG 3.31Å; E755-L759 PolarHBondContact O-N 2.73Å |
| 756 | V | 73 | Confident | 67.5 | Low | 78 Ų | 78 | 109.1 Ų | 109.1 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -40 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | K752 Q753 L759 Q760 | K752-V756 WeakPolarHBondContact O-CB 3.47Å; K752-V756 VanDerWaalsContact O-CG2 3.23Å; K752-V756 WeakPolarHBondContact O-CG2 3.41Å; K752-V756 PolarHBondContact O-N 3.31Å; Q753-V756 PolarHBondContact O-N 2.99Å; V756-L759 PolarHBondContact O-N 3.25Å; V756-Q760 WeakPolarHBondContact O-CB 3.32Å; V756-Q760 WeakPolarHBondContact O-CG 3.47Å; V756-Q760 PolarHBondContact O-N 2.88Å |
| 757 | E | 79.7 | Confident | 69.1 | Low | 116 Ų | 116 | 114.7 Ų | 114.7 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -43.7 | 173.7 | -81.3 | 176.6 | 166.3 | 0 | 0 | 111.7 | Q753 L759 Q760 E761 | Q753-E757 PolarHBondContact O-N 3.13Å; E757-L759 PolarHBondContact O-N 3.07Å; E757-Q760 PolarHBondContact O-N 3.25Å; E757-E761 PolarHBondContact O-N 3.39Å |
| 758 | A | 80.1 | Confident | 70.6 | Confident | 53 Ų | 53 | 110.3 Ų | 110.3 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K754 Q760 E761 D762 | K754-A758 WeakPolarHBondContact O-CB 3.49Å; K754-A758 PolarHBondContact O-N 2.97Å; A758-Q760 VanDerWaalsContact C-N 3.34Å; A758-E761 PolarHBondContact O-N 3.45Å; A758-D762 PolarHBondContact O-N 2.87Å; A758-D762 VanDerWaalsContact O-N 3.11Å |
| 759 | L | 76 | Confident | 71.8 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.8 | -30.9 | 174.9 | -74.5 | 167.8 | 0 | 0 | 0 | 112.5 | E755 V756 E757 V763 | E755-L759 WeakPolarHBondContact O-CB 3.37Å; E755-L759 VanDerWaalsContact O-CG 3.27Å; E755-L759 WeakPolarHBondContact O-CG 3.31Å; E755-L759 PolarHBondContact O-N 2.73Å; V756-L759 PolarHBondContact O-N 3.25Å; E757-L759 PolarHBondContact O-N 3.07Å; L759-V763 WeakPolarHBondContact O-CB 3.19Å; L759-V763 VanDerWaalsContact O-CG2 3.24Å; L759-V763 WeakPolarHBondContact O-CG2 3.33Å; L759-V763 PolarHBondContact O-N 3.41Å |
| 760 | Q | 79.6 | Confident | 72.6 | Confident | 121 Ų | 121 | 110.2 Ų | 110.2 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.5 | -37 | 174.7 | -82.3 | 177.3 | -21.8 | 0 | 0 | 112.4 | V756 E757 A758 Q764 | V756-Q760 WeakPolarHBondContact O-CB 3.32Å; V756-Q760 WeakPolarHBondContact O-CG 3.47Å; V756-Q760 PolarHBondContact O-N 2.88Å; E757-Q760 PolarHBondContact O-N 3.25Å; A758-Q760 VanDerWaalsContact C-N 3.34Å; Q760-Q764 PolarHBondContact O-N 3.08Å |
| 761 | E | 82.7 | Confident | 73.1 | Confident | 130 Ų | 130 | 114 Ų | 114 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -44.2 | 172.9 | -75.8 | -172.7 | 159.2 | 0 | 0 | 111.9 | E757 A758 V763 Q764 Q765 | E757-E761 PolarHBondContact O-N 3.39Å; A758-E761 PolarHBondContact O-N 3.45Å; E761-V763 PolarHBondContact O-N 3.4Å; E761-Q764 PolarHBondContact O-N 3.43Å; E761-Q765 PolarHBondContact O-N 3.19Å |
| 762 | D | 77.2 | Confident | 73 | Confident | 94 Ų | 94 | 117.6 Ų | 117.6 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 177.3 | -91 | 0.7 | 0 | 0 | 0 | 112.3 | A758 Q765 L766 | A758-D762 PolarHBondContact O-N 2.87Å; A758-D762 VanDerWaalsContact O-N 3.11Å; D762-Q765 PolarHBondContact O-N 3.2Å; D762-L766 PolarHBondContact O-N 3.08Å |
| 763 | V | 79.1 | Confident | 72.3 | Confident | 74 Ų | 74 | 113.6 Ų | 113.6 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -35.7 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L759 E761 R767 | L759-V763 WeakPolarHBondContact O-CB 3.19Å; L759-V763 VanDerWaalsContact O-CG2 3.24Å; L759-V763 WeakPolarHBondContact O-CG2 3.33Å; L759-V763 PolarHBondContact O-N 3.41Å; E761-V763 PolarHBondContact O-N 3.4Å; V763-R767 WeakPolarHBondContact O-CG 3.49Å; V763-R767 PolarHBondContact O-N 3.34Å |
| 764 | Q | 81 | Confident | 70.9 | Confident | 143 Ų | 143 | 115 Ų | 115 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.8 | -39.9 | 173.9 | -84.6 | -178 | 7.3 | 0 | 0 | 112.2 | Q760 E761 R767 A768 | Q760-Q764 PolarHBondContact O-N 3.08Å; E761-Q764 PolarHBondContact O-N 3.43Å; Q764-R767 PolarHBondContact O-N 3.31Å; Q764-A768 PolarHBondContact O-N 2.8Å |
| 765 | Q | 78.9 | Confident | 69.2 | Low | 121 Ų | 121 | 120 Ų | 120 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 174.4 | -73.5 | -174.5 | 23 | 0 | 0 | 111.8 | E761 D762 A768 I769 | E761-Q765 PolarHBondContact O-N 3.19Å; D762-Q765 PolarHBondContact O-N 3.2Å; Q765-A768 PolarHBondContact O-N 3.45Å; Q765-I769 WeakPolarHBondContact O-CG1 3.4Å; Q765-I769 PolarHBondContact O-N 2.99Å; Q765-I769 VanDerWaalsContact O-N 3.08Å |
| 766 | L | 70.9 | Confident | 67.5 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.9 | -35.9 | 176.3 | -77.2 | 167.5 | 0 | 0 | 0 | 112.7 | D762 I769 V770 | D762-L766 PolarHBondContact O-N 3.08Å; L766-I769 PolarHBondContact O-N 3.41Å; L766-V770 WeakPolarHBondContact O-CG2 3.1Å; L766-V770 PolarHBondContact O-N 3.16Å; L766-V770 VanDerWaalsContact O-N 3.08Å |
| 767 | R | 74.6 | Confident | 65.8 | Low | 170 Ų | 170 | 122 Ų | 122 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.6 | -40.5 | 172.9 | -77 | -175.9 | -171.4 | -158.6 | 3 | 112.3 | V763 Q764 I769 V770 E771 | V763-R767 WeakPolarHBondContact O-CG 3.49Å; V763-R767 PolarHBondContact O-N 3.34Å; Q764-R767 PolarHBondContact O-N 3.31Å; R767-I769 VanDerWaalsContact C-N 3.31Å; R767-I769 PolarHBondContact O-N 3.33Å; R767-V770 PolarHBondContact O-N 3.33Å; R767-E771 PolarHBondContact O-N 2.94Å |
| 768 | A | 75.8 | Confident | 63.6 | Low | 51 Ų | 51 | 123.6 Ų | 123.6 | 42% | 0.421 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.9 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q764 Q765 H772 | Q764-A768 PolarHBondContact O-N 2.8Å; Q765-A768 PolarHBondContact O-N 3.45Å; A768-H772 PolarHBondContact O-N 2.93Å; A768-H772 PolarHBondContact O-ND1 3.24Å |
| 769 | I | 70.9 | Confident | 61.5 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.7 | -36.5 | 177.1 | -65.6 | 166.7 | 0 | 0 | 0 | 111.4 | Q765 L766 R767 | Q765-I769 WeakPolarHBondContact O-CG1 3.4Å; Q765-I769 PolarHBondContact O-N 2.99Å; Q765-I769 VanDerWaalsContact O-N 3.08Å; L766-I769 PolarHBondContact O-N 3.41Å; R767-I769 VanDerWaalsContact C-N 3.31Å; R767-I769 PolarHBondContact O-N 3.33Å |
| 770 | V | 65.4 | Low | 59.5 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.9 | -33.6 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | L766 R767 H772 | L766-V770 WeakPolarHBondContact O-CG2 3.1Å; L766-V770 PolarHBondContact O-N 3.16Å; L766-V770 VanDerWaalsContact O-N 3.08Å; R767-V770 PolarHBondContact O-N 3.33Å; V770-H772 VanDerWaalsContact C-N 3.3Å; V770-H772 PolarHBondContact O-N 2.93Å |
| 771 | E | 61.2 | Low | 57.6 | Low | 153 Ų | 153 | 128.8 Ų | 128.8 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.2 | -19.4 | 178.5 | -76.2 | -179 | 173.1 | 0 | 0 | 113.7 | R767 | R767-E771 PolarHBondContact O-N 2.94Å |
| 772 | H | 58.5 | Low | 55.1 | Low | 165 Ų | 165 | 132 Ų | 132 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 2.9 | -178 | -71.3 | 38.2 | 0 | 0 | 0 | 114.1 | A768 V770 N774 | A768-H772 PolarHBondContact O-N 2.93Å; A768-H772 PolarHBondContact O-ND1 3.24Å; V770-H772 VanDerWaalsContact C-N 3.3Å; V770-H772 PolarHBondContact O-N 2.93Å; H772-N774 PolarHBondContact O-N 3.43Å |
| 773 | G | 40.7 | Very low | 53.4 | Low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | trans | -87.4 | 5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 774 | N | 38.7 | Very low | 51.4 | Low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | -129 | 86 | -168.6 | -137.1 | 5 | 0 | 0 | 0 | 112.9 | H772 | H772-N774 PolarHBondContact O-N 3.43Š| ||
| 775 | R | 39.1 | Very low | 49.4 | Very low | 252 Ų | 252 | 134.7 Ų | 134.7 | 95% | 0.951 | 72% | 0.723 | S | S | * | * | trans | -174.4 | 109.7 | 155.1 | -102.5 | 158.8 | -163.5 | -153.7 | 6.5 | 112.8 | ||||
| 776 | G | 34.4 | Very low | 47.4 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | 75.9 | 108.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 777 | H | 37.8 | Very low | 45.8 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | 62.7 | 114.4 | 123.8 | -93.9 | -93 | 0 | 0 | 0 | 122 | |||||
| 778 | L | 33.6 | Very low | 44 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | 46.2 | 116.5 | 125.1 | -85.6 | 131.6 | 0 | 0 | 0 | 120.1 | |||||
| 779 | A | 35.6 | Very low | 41.9 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | 154.6 | 122.6 | 107.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 780 | T | 34.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 52.3 | 120.2 | 136.1 | 63.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 781 | Q | 38.5 | Very low | 38.7 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 174.2 | 132.7 | 104.3 | -88.3 | 173.8 | 52.4 | 0 | 0 | 112.4 | |||||
| 782 | K | 31.8 | Very low | 37.5 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -78.5 | -176.8 | 170.4 | -84.7 | -177.9 | 173.6 | 176.3 | 0 | 110.2 | ||||
| 783 | P | 39.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -148.7 | 178.9 | 16.4 | 39.9 | -17.2 | 0 | 0 | 0 | 118.9 | ||||
| 784 | N | 37.9 | Very low | 36.3 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 111.1 | 123.6 | 133.8 | -83.1 | -13.5 | 0 | 0 | 0 | 122.7 | ||||
| 785 | S | 39.2 | Very low | 35.9 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 87.7 | 144.5 | 144.1 | 79.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 786 | R | 35.8 | Very low | 36.1 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -173.9 | 122.1 | -26.5 | -169.6 | 168.1 | -172.7 | -169.1 | 4.4 | 105.9 | ||||
| 787 | V | 38.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | 80.8 | 132.4 | 137.9 | 171.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 788 | S | 35.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | 72.4 | 150.3 | 150.4 | -74.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 789 | R | 33.6 | Very low | 36.6 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | cis | -179.9 | 170.1 | -26.9 | -121.5 | -175.7 | -158.4 | -175.4 | 6.9 | 103 | ||||
| 790 | T | 36.3 | Very low | 36.6 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 84.3 | 113.3 | 158.1 | 47.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 791 | V | 31.8 | Very low | 36.8 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 157 | 151.7 | -176 | 0 | 0 | 0 | 0 | 107 | ||||
| 792 | P | 36.9 | Very low | 36.8 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -152.3 | 174.9 | 48.4 | 39.1 | -14 | 0 | 0 | 0 | 120 | ||||
| 793 | S | 32 | Very low | 36.9 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -21 | 139.5 | 166.1 | 51.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 794 | Q | 40.2 | Very low | 36.8 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -142.9 | 133.1 | 150.4 | -73.9 | -171.8 | 2.4 | 0 | 0 | 111.9 | ||||
| 795 | S | 32.2 | Very low | 36.7 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -84.3 | 155.4 | 172.2 | 45.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 796 | Y | 42.5 | Very low | 36.6 | Very low | 224 Ų | 224 | 153.5 Ų | 153.5 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -139.2 | 116.4 | 160.8 | 34.4 | -88.7 | 0 | 0 | 0 | 110.9 | ||||
| 797 | D | 37.9 | Very low | 36.6 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -79.6 | 158.9 | 174.4 | -77.3 | -59.5 | 0 | 0 | 0 | 113.7 | ||||
| 798 | R | 39.6 | Very low | 36.5 | Very low | 235 Ų | 235 | 149.4 Ų | 149.4 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -174.8 | 105.5 | 130.8 | -103 | 170.5 | -177.4 | -161.7 | 0.7 | 110.5 | ||||
| 799 | K | 37.8 | Very low | 36.6 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | 74 | 107.7 | 94.6 | -81.4 | -175.1 | 173.3 | 177.3 | 0 | 115 | |||||
| 800 | S | 37.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 93.2 | 145.4 | 91 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 801 | A | 37.3 | Very low | 36.9 | Very low | 83 Ų | 83 | 152.2 Ų | 152.2 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | cis | -171.5 | 163.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 802 | S | 38 | Very low | 37.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 68.1 | 113.3 | 140.4 | 68.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 803 | R | 34.3 | Very low | 37.3 | Very low | 233 Ų | 233 | 151.7 Ų | 151.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | 56.9 | 137.6 | 115 | -83.2 | -174.7 | -177.7 | -168.9 | 1 | 122.6 | |||||
| 804 | L | 38.5 | Very low | 37.6 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 103.3 | 110.7 | 142.4 | -72.4 | 147 | 0 | 0 | 0 | 119.9 | ||||
| 805 | K | 35.8 | Very low | 37.6 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 50.4 | 134.5 | 125.1 | -87 | -177.3 | 175.9 | 178.9 | 0 | 122.6 | |||||
| 806 | N | 37.2 | Very low | 38.2 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 93 | 113.5 | 139.3 | -69.3 | 0.7 | 0 | 0 | 0 | 120.3 | ||||
| 807 | N | 34.6 | Very low | 38.3 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | 65 | 140.4 | 123.4 | -67.3 | 1.8 | 0 | 0 | 0 | 123.4 | |||||
| 808 | D | 37.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | 93.9 | 104.3 | 143.1 | -71.6 | -43.5 | 0 | 0 | 0 | 120.9 | ||||
| 809 | R | 37.9 | Very low | 38.6 | Very low | 224 Ų | 224 | 137.9 Ų | 137.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | 64.6 | 132 | 118.3 | -74 | 175.9 | 166 | 173.4 | -1.4 | 121.8 | |||||
| 810 | K | 37.9 | Very low | 38.6 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 93.5 | 112.1 | 134 | -93.5 | -176.1 | 169.8 | 179.1 | 0 | 120.6 | ||||
| 811 | S | 36.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 77.2 | 128.2 | 117 | -69.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 812 | A | 38.9 | Very low | 38.8 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | 110.9 | 107.9 | 126.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 813 | N | 39 | Very low | 38.7 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | 75.1 | 140.5 | 117.7 | -72.5 | 3 | 0 | 0 | 0 | 124.3 | |||||
| 814 | N | 38.1 | Very low | 39.2 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 85.8 | 144.5 | 147.1 | -72.2 | 1.1 | 0 | 0 | 0 | 119.2 | ||||
| 815 | S | 39.3 | Very low | 38.9 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | cis | 179.2 | 162.7 | -19 | -76.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 816 | Q | 46.8 | Very low | 39 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 92.1 | 157.7 | 144.3 | -69 | -131.9 | -33.3 | 0 | 0 | 120.7 | ||||
| 817 | P | 44.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -148.9 | 170.2 | -67.4 | 39.7 | -18.2 | 0 | 0 | 0 | 117.4 | |||||
| 818 | G | 37.7 | Very low | 39 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 168.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 819 | P | 45.3 | Very low | 39 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -143.4 | 159.6 | -5.8 | 39.4 | -18.4 | 0 | 0 | 0 | 119.2 | ||||
| 820 | S | 37.1 | Very low | 39 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 38.5 | 136.1 | 135.2 | -38.3 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 821 | S | 39.5 | Very low | 38.8 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | 170.9 | 127.2 | 110.7 | 45.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 822 | V | 39.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 64.7 | 109.4 | 132.8 | -169.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 823 | S | 37.5 | Very low | 38.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | 82 | 165.2 | 71.3 | -55.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 824 | P | 44.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | -144.4 | 176.3 | -59.5 | 44.9 | -27.1 | 0 | 0 | 0 | 116.9 | |||||
| 825 | N | 32.5 | Very low | 38.2 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 57.1 | 129.1 | 141.5 | -124.8 | 0.9 | 0 | 0 | 0 | 126.1 | ||||
| 826 | R | 36.1 | Very low | 38 | Very low | 234 Ų | 234 | 129.7 Ų | 129.7 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 176.8 | 110.5 | 141.2 | -106.9 | -178.5 | 173.3 | -167.4 | -1.5 | 110.5 | ||||
| 827 | Q | 40.7 | Very low | 37.3 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | 69.3 | 107.7 | 83.1 | -77.1 | -173.6 | -7.4 | 0 | 0 | 118.4 | |||||
| 828 | N | 32.1 | Very low | 37 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 71.2 | 147.1 | 125.7 | -63.1 | -4.3 | 0 | 0 | 0 | 125.3 | |||||
| 829 | H | 37.7 | Very low | 36.9 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 82.5 | 139.8 | 151.1 | -59.8 | -54.4 | 0 | 0 | 0 | 116.8 | ||||
| 830 | T | 37.1 | Very low | 36.4 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | cis | -178.1 | 137.1 | 6.1 | 24.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 831 | S | 33.9 | Very low | 36.3 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | 51.8 | 138 | 130.8 | 77.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 832 | N | 34.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | 98 | 111.4 | 127.5 | -78.6 | -9.6 | 0 | 0 | 0 | 122.9 | |||||
| 833 | Q | 39 | Very low | 36 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | 86.9 | 132.1 | 113.8 | -72.6 | 178.9 | 29.9 | 0 | 0 | 123.5 | |||||
| 834 | H | 36.6 | Very low | 36.1 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | 63.4 | 142.3 | 143.6 | -70.6 | -56.3 | 0 | 0 | 0 | 119.3 | ||||
| 835 | G | 31.5 | Very low | 35.5 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 164.2 | 173 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 836 | S | 35.1 | Very low | 35.6 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | 100.6 | 89.1 | 158.8 | -61.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 837 | R | 31.6 | Very low | 35.6 | Very low | 225 Ų | 225 | 139.8 Ų | 139.8 | 85% | 0.849 | 74% | 0.736 | S | S | * | * | 14.7 | 136.6 | 116 | -167.7 | -177.4 | -87.8 | -163.4 | -4.9 | 120.4 | |||||
| 838 | I | 38.3 | Very low | 35.1 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | -178.7 | 99.1 | 143.2 | -89.4 | 152.5 | 0 | 0 | 0 | 108.1 | ||||
| 839 | T | 35.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | 74.4 | 122.1 | 95.3 | 63.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 840 | K | 34.2 | Very low | 35.4 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | 64.1 | 144.2 | 139.1 | -64.2 | 178.1 | 179.8 | -177.5 | 0 | 117.4 | ||||
| 841 | S | 35.4 | Very low | 35.5 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -164.2 | 168.4 | 17.4 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 842 | D | 37.1 | Very low | 35.8 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 98.1 | 125.3 | 148.2 | -54 | -39.5 | 0 | 0 | 0 | 121.8 | ||||
| 843 | N | 34.7 | Very low | 36.2 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -95.5 | -168.4 | -168 | -157.4 | 20.3 | 0 | 0 | 0 | 109.2 | ||||
| 844 | P | 39 | Very low | 36.4 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | -117.8 | -166.2 | -97.6 | 38.5 | -21.4 | 0 | 0 | 0 | 112.7 | |||||
| 845 | N | 34.1 | Very low | 36.6 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | 120.6 | 139 | 140.8 | -148 | 5.2 | 0 | 0 | 0 | 116.7 | ||||
| 846 | R | 34.4 | Very low | 37.1 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 98 | 96.6 | 158.7 | -67.4 | -178.3 | 164.3 | -178.9 | -5.3 | 121.2 | ||||
| 847 | N | 35.3 | Very low | 37.4 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | 73.7 | 104.3 | 111.9 | -63.7 | 1.8 | 0 | 0 | 0 | 120.9 | |||||
| 848 | S | 30.9 | Very low | 37.9 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | 48.9 | 103.7 | 109 | -49.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 849 | S | 36.5 | Very low | 38 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -163.2 | 1.3 | 154.6 | -69.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 850 | T | 38.8 | Very low | 38.5 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -108.5 | 5.2 | -167.7 | 30.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 851 | A | 38.5 | Very low | 39.1 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -86 | -11.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 852 | N | 40.5 | Very low | 39.6 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -93.7 | -9.5 | -175.7 | -84.3 | 0.8 | 0 | 0 | 0 | 115.5 | ||
| 853 | I | 43.6 | Very low | 40.2 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 61% | 0.605 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -91.7 | -15 | 178.5 | -62.3 | 173.2 | 0 | 0 | 0 | 111.4 | I857 | I853-I857 HydrophobicContact CG2-CD1 4.47Š|
| 854 | Q | 42.7 | Very low | 41.1 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -87.1 | -9.3 | -178 | -130.4 | 151.2 | 5.3 | 0 | 0 | 113.7 | ||
| 855 | L | 41.2 | Very low | 41.6 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85 | -25.2 | 174.8 | -79.7 | 155.4 | 0 | 0 | 0 | 113.1 | ||
| 856 | E | 40.8 | Very low | 42.4 | Very low | 149 Ų | 149 | 105 Ų | 105 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.6 | -24.2 | 178.5 | -72.8 | -177.3 | 157.3 | 0 | 0 | 113.7 | ||
| 857 | I | 42.1 | Very low | 43.7 | Very low | 93 Ų | 93 | 101.7 Ų | 101.7 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78 | -29.2 | 178.4 | -61.6 | 172.4 | 0 | 0 | 0 | 111.4 | I853 S859 Q860 | I853-I857 HydrophobicContact CG2-CD1 4.47Å; I857-S859 VanDerWaalsContact C-N 3.28Å; I857-S859 PolarHBondContact O-N 3.06Å; I857-Q860 PolarHBondContact O-N 2.84Å |
| 858 | N | 42.2 | Very low | 44.9 | Very low | 86 Ų | 86 | 100 Ų | 100 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.3 | -20.8 | 175.6 | -83.2 | -8.9 | 0 | 0 | 0 | 113.3 | H862 | N858-H862 PolarHBondContact O-CD2 3.34Å |
| 859 | S | 41 | Very low | 46.2 | Very low | 81 Ų | 81 | 98.2 Ų | 98.2 | 57% | 0.566 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -78.8 | -22.5 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | I857 | I857-S859 VanDerWaalsContact C-N 3.28Å; I857-S859 PolarHBondContact O-N 3.06Å |
| 860 | Q | 45.1 | Very low | 47.1 | Very low | 140 Ų | 140 | 97.7 Ų | 97.7 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -89.1 | -26.6 | 178.3 | -72.7 | -179.3 | -11 | 0 | 0 | 113.6 | I857 T863 | I857-Q860 PolarHBondContact O-N 2.84Å; Q860-T863 VanDerWaalsContact C-OG1 3.27Å; Q860-T863 WeakPolarHBondContact CA-OG1 3.35Å; Q860-T863 PolarHBondContact O-OG1 3.14Å |
| 861 | Q | 46.7 | Very low | 48.3 | Very low | 39 Ų | 39 | 93.8 Ų | 93.8 | 18% | 0.182 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -76.8 | -33.2 | 174.4 | -74.9 | -177.2 | -21.2 | 0 | 0 | 112.4 | T863 E864 E865 | Q861-T863 PolarHBondContact O-N 3.25Å; Q861-E864 PolarHBondContact O-N 3.24Å; Q861-E865 PolarHBondContact O-N 2.92Å |
| 862 | H | 46 | Very low | 49.5 | Very low | 113 Ų | 113 | 93 Ų | 93 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -19.9 | 172.5 | -91.8 | -57.2 | 0 | 0 | 0 | 113.6 | N858 E865 | N858-H862 PolarHBondContact O-CD2 3.34Å; H862-E865 IonicContact CE1-OE2 2.84Å; H862-E865 IonicContact ND1-OE2 3.06Å; H862-E865 PolarHBondContact ND1-OE2 3.23Å |
| 863 | T | 50.8 | Low | 50.9 | Low | 83 Ų | 83 | 91.6 Ų | 91.6 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80.3 | -37.6 | 174.9 | 39.2 | 0 | 0 | 0 | 0 | 113.5 | Q860 Q861 A866 E867 | Q860-T863 VanDerWaalsContact C-OG1 3.27Å; Q860-T863 WeakPolarHBondContact CA-OG1 3.35Å; Q860-T863 PolarHBondContact O-OG1 3.14Å; Q861-T863 PolarHBondContact O-N 3.25Å; T863-A866 PolarHBondContact O-N 3.35Å; T863-E867 PolarHBondContact O-N 2.89Å |
| 864 | E | 53 | Low | 52.6 | Low | 125 Ų | 125 | 89.3 Ų | 89.3 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.4 | -36.6 | 179.9 | -69.4 | -176.2 | 172.1 | 0 | 0 | 112.2 | Q861 E867 F868 | Q861-E864 PolarHBondContact O-N 3.24Å; E864-E867 WeakPolarHBondContact O-CB 3.34Å; E864-E867 PolarHBondContact O-N 2.74Å; E864-F868 PolarHBondContact O-N 2.76Å |
| 865 | E | 50.3 | Low | 54.6 | Low | 18 Ų | 18 | 85.6 Ų | 85.6 | 8% | 0.084 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 171.8 | -77.7 | -170.7 | 141.8 | 0 | 0 | 112.9 | N359 D360 P361 Q861 H862 E867 F868 L869 | N359-E865 VanDerWaalsContact C-CD 3.5Å; N359-E865 VanDerWaalsContact CB-OE1 3.3Å; N359-E865 WeakPolarHBondContact CB-OE1 3.44Å; N359-E865 VanDerWaalsContact O-CD 3.25Å; N359-E865 WeakPolarHBondContact O-CG 3.17Å; D360-E865 WeakPolarHBondContact CA-OE1 3.21Å; D360-E865 PolarHBondContact N-OE1 2.69Å; P361-E865 WeakPolarHBondContact CD-OE1 3.42Å; P361-E865 HydrophobicContact CG-CB 3.68Å; P361-E865 HydrophobicContact CG-CG 4.04Å; Q861-E865 PolarHBondContact O-N 2.92Å; H862-E865 IonicContact CE1-OE2 2.84Å; H862-E865 IonicContact ND1-OE2 3.06Å; H862-E865 PolarHBondContact ND1-OE2 3.23Å; E865-E867 VanDerWaalsContact C-N 3.32Å; E865-F868 PolarHBondContact O-N 3.38Å; E865-L869 PolarHBondContact O-N 3.48Å; E865-L869 VanDerWaalsContact O-N 3.1Å |
| 866 | A | 50.6 | Low | 56.9 | Low | 45 Ų | 45 | 80 Ų | 80 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | T863 F868 L869 L870 | T863-A866 PolarHBondContact O-N 3.35Å; A866-F868 PolarHBondContact O-N 3.08Å; A866-L869 PolarHBondContact O-N 3.47Å; A866-L870 VanDerWaalsContact O-CB 3.25Å; A866-L870 WeakPolarHBondContact O-CB 3.31Å; A866-L870 VanDerWaalsContact O-CD1 3.29Å; A866-L870 WeakPolarHBondContact O-CD1 3.42Å; A866-L870 WeakPolarHBondContact O-CG 3.46Å; A866-L870 PolarHBondContact O-N 2.84Å |
| 867 | E | 62.1 | Low | 59.1 | Low | 139 Ų | 139 | 77.8 Ų | 77.8 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 175.3 | -112.8 | -178.1 | 164.3 | 0 | 0 | 113.1 | T863 E864 E865 L870 S871 | T863-E867 PolarHBondContact O-N 2.89Å; E864-E867 WeakPolarHBondContact O-CB 3.34Å; E864-E867 PolarHBondContact O-N 2.74Å; E865-E867 VanDerWaalsContact C-N 3.32Å; E867-L870 PolarHBondContact O-N 3.12Å; E867-S871 WeakPolarHBondContact O-CB 3.48Å; E867-S871 PolarHBondContact O-N 3.36Å |
| 868 | F | 60.3 | Low | 61.2 | Low | 92 Ų | 92 | 75.1 Ų | 75.1 | 40% | 0.404 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 177.5 | -176.6 | -109.1 | 0 | 0 | 0 | 112.5 | E864 E865 A866 L870 S871 L872 | E864-F868 PolarHBondContact O-N 2.76Å; E865-F868 PolarHBondContact O-N 3.38Å; A866-F868 PolarHBondContact O-N 3.08Å; F868-L870 VanDerWaalsContact C-N 3.34Å; F868-S871 WeakPolarHBondContact O-CB 3.33Å; F868-S871 PolarHBondContact O-N 2.98Å; F868-S871 VanDerWaalsContact O-N 3.09Å; F868-S871 PolarHBondContact O-OG 3.02Å; F868-L872 HydrophobicContact CD1-CD1 4.17Å; F868-L872 HydrophobicContact CE1-CD1 3.72Å; F868-L872 HydrophobicContact CZ-CD1 4.02Å; F868-L872 PolarHBondContact O-N 3.43Å |
| 869 | L | 57.1 | Low | 63.4 | Low | 69 Ų | 69 | 72 Ų | 72 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 173.5 | -75.3 | -177.8 | 0 | 0 | 0 | 111.8 | P361 E865 A866 S871 L872 | P361-L869 HydrophobicContact CB-CD1 3.86Å; P361-L869 HydrophobicContact CG-CD1 3.62Å; P361-L869 HydrophobicContact CG-CG 4.09Å; E865-L869 PolarHBondContact O-N 3.48Å; E865-L869 VanDerWaalsContact O-N 3.1Å; A866-L869 PolarHBondContact O-N 3.47Å; L869-S871 PolarHBondContact O-N 2.97Å; L869-L872 PolarHBondContact O-N 2.97Å |
| 870 | L | 56 | Low | 65.4 | Low | 105 Ų | 105 | 70.4 Ų | 70.4 | 55% | 0.55 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -23.6 | 173.2 | -69.4 | 165.8 | 0 | 0 | 0 | 112.5 | A866 E867 F868 | A866-L870 VanDerWaalsContact O-CB 3.25Å; A866-L870 WeakPolarHBondContact O-CB 3.31Å; A866-L870 VanDerWaalsContact O-CD1 3.29Å; A866-L870 WeakPolarHBondContact O-CD1 3.42Å; A866-L870 WeakPolarHBondContact O-CG 3.46Å; A866-L870 PolarHBondContact O-N 2.84Å; E867-L870 PolarHBondContact O-N 3.12Å; F868-L870 VanDerWaalsContact C-N 3.34Å |
| 871 | S | 63.4 | Low | 67.2 | Low | 42 Ų | 42 | 67 Ų | 67 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.6 | -25.2 | 176.9 | 81.4 | 0 | 0 | 0 | 0 | 113.9 | E867 F868 L869 K874 T875 | E867-S871 WeakPolarHBondContact O-CB 3.48Å; E867-S871 PolarHBondContact O-N 3.36Å; F868-S871 WeakPolarHBondContact O-CB 3.33Å; F868-S871 PolarHBondContact O-N 2.98Å; F868-S871 VanDerWaalsContact O-N 3.09Å; F868-S871 PolarHBondContact O-OG 3.02Å; L869-S871 PolarHBondContact O-N 2.97Å; S871-K874 WeakPolarHBondContact O-CB 3.44Å; S871-K874 PolarHBondContact O-N 3.48Å; S871-T875 PolarHBondContact O-OG1 3.36Å |
| 872 | L | 64.5 | Low | 68.9 | Low | 57 Ų | 57 | 72 Ų | 72 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 176.2 | -94 | 142.1 | 0 | 0 | 0 | 112.3 | F868 L869 K874 T875 | F868-L872 HydrophobicContact CD1-CD1 4.17Å; F868-L872 HydrophobicContact CE1-CD1 3.72Å; F868-L872 HydrophobicContact CZ-CD1 4.02Å; F868-L872 PolarHBondContact O-N 3.43Å; L869-L872 PolarHBondContact O-N 2.97Å; L872-K874 PolarHBondContact O-N 3.27Å; L872-K874 VanDerWaalsContact O-N 3.16Å; L872-T875 PolarHBondContact O-N 3.47Å; L872-T875 VanDerWaalsContact O-N 3.15Å |
| 873 | D | 68.6 | Low | 70.6 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14 | 171.8 | -64.1 | -21 | 0 | 0 | 0 | 112.1 | L891 | D873-L891 WeakPolarHBondContact O-CD1 3.26Š|
| 874 | K | 80.9 | Confident | 71.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 12.6 | 176.2 | -64.8 | 171.4 | 171 | -172 | 0 | 114.4 | S871 L872 Q882 N883 D884 F886 | S871-K874 WeakPolarHBondContact O-CB 3.44Å; S871-K874 PolarHBondContact O-N 3.48Å; L872-K874 PolarHBondContact O-N 3.27Å; L872-K874 VanDerWaalsContact O-N 3.16Å; K874-Q882 WeakPolarHBondContact O-CA 3.37Å; K874-N883 PolarHBondContact O-N 3.3Å; K874-D884 WeakPolarHBondContact CD-OD1 3.41Å; K874-D884 IonicContact NZ-OD1 3.65Å; K874-D884 PolarHBondContact NZ-OD1 3.21Å; K874-F886 HydrophobicContact CB-CB 4.49Å; K874-F886 WeakPolarHBondContact O-CD2 3.24Å |
| 875 | T | 84.9 | Confident | 73.2 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -118.6 | 126.7 | -178.9 | -49.3 | 0 | 0 | 0 | 0 | 112.2 | S871 L872 I877 E881 Q882 | S871-T875 PolarHBondContact O-OG1 3.36Å; L872-T875 PolarHBondContact O-N 3.47Å; L872-T875 VanDerWaalsContact O-N 3.15Å; T875-I877 PolarHBondContact O-N 3.05Å; T875-E881 CarbonylContact C-O 3.59Å; T875-E881 WeakPolarHBondContact CA-O 3.5Å; T875-Q882 HydrophobicContact CG2-CG 3.69Å; T875-Q882 VanDerWaalsContact OG1-CG 3.32Å; T875-Q882 WeakPolarHBondContact OG1-CG 3.37Å; T875-Q882 PolarHBondContact OG1-NE2 3.17Å; T875-Q882 VanDerWaalsContact OG1-NE2 3.17Å |
| 876 | C | 87.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | trans | -71.2 | 122 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | F878 C879 G880 E881 F886 L891 H894 Y895 | C876-F878 VanDerWaalsContact C-N 3.27Å; C876-F878 PolarHBondContact O-N 3.21Å; C876-C879 PolarHBondContact SG-N 3.44Å; C876-C879 PolarHBondContact SG-SG 2.9Å; C876-G880 WeakPolarHBondContact O-CA 3.37Å; C876-G880 PolarHBondContact O-N 3.28Å; C876-E881 PolarHBondContact N-O 2.8Å; C876-F886 HydrophobicContact CB-CE2 4.17Å; C876-L891 HydrophobicContact CB-CD2 4.23Å; C876-H894 PolarHBondContact SG-CD2 2.83Å; C876-H894 PolarHBondContact SG-NE2 3.33Å; C876-Y895 HydrophobicContact CB-CE1 4.37Å | ||
| 877 | I | 87 | Confident | 76.3 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21 | -176.8 | 66.3 | 178 | 0 | 0 | 0 | 114.8 | T875 Y895 | T875-I877 PolarHBondContact O-N 3.05Å; I877-Y895 HydrophobicContact CG1-CE1 4.33Å |
| 878 | F | 86.7 | Confident | 77 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -62.7 | -178.3 | -57.1 | -80.5 | 0 | 0 | 0 | 110.6 | C876 Y895 M901 L902 E913 K988 | C876-F878 VanDerWaalsContact C-N 3.27Å; C876-F878 PolarHBondContact O-N 3.21Å; F878-Y895 AromaticContact CD2-CD1 3.7Å; F878-Y895 HydrophobicContact CD2-CD1 3.7Å; F878-Y895 AromaticContact CD2-CE1 3.64Å; F878-Y895 HydrophobicContact CD2-CE1 3.64Å; F878-Y895 AromaticContact CE2-CD1 3.84Å; F878-Y895 HydrophobicContact CE2-CD1 3.84Å; F878-Y895 AromaticContact CE2-CE1 3.83Å; F878-Y895 HydrophobicContact CE2-CE1 3.83Å; F878-Y895 HydrophobicContact CE2-CG 4.29Å; F878-M901 VanDerWaalsContact C-SD 3.51Å; F878-M901 HydrophobicContact CB-CB 3.99Å; F878-M901 HydrophobicContact CB-SD 4.4Å; F878-L902 HydrophobicContact CD1-CD2 4.04Å; F878-L902 HydrophobicContact CD2-CD1 3.84Å; F878-L902 HydrophobicContact CD2-CD2 4.36Å; F878-L902 HydrophobicContact CD2-CG 4.24Å; F878-L902 HydrophobicContact CE1-CD2 4.02Å; F878-L902 HydrophobicContact CE2-CD1 3.87Å; F878-L902 HydrophobicContact CE2-CD2 4.35Å; F878-L902 HydrophobicContact CG-CD1 4.4Å; F878-L902 HydrophobicContact CG-CD2 4.22Å; F878-L902 HydrophobicContact CG-CG 4.3Å; F878-L902 HydrophobicContact CZ-CD1 4.43Å; F878-L902 HydrophobicContact CZ-CD2 4.18Å; F878-E913 HydrophobicContact CD1-CG 3.99Å; F878-E913 HydrophobicContact CE1-CG 3.9Å; F878-E913 WeakPolarHBondContact CE1-OE1 3.33Å; F878-K988 WeakPolarHBondContact O-CE 3.3Å |
| 879 | C | 87.8 | Confident | 78 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14.2 | -175.5 | 72.9 | 0 | 0 | 0 | 0 | 114.5 | C876 E881 H894 M901 L992 | C876-C879 PolarHBondContact SG-N 3.44Å; C876-C879 PolarHBondContact SG-SG 2.9Å; C879-E881 VanDerWaalsContact C-N 3.31Å; C879-E881 PolarHBondContact O-N 3.38Å; C879-E881 WeakPolarHBondContact SG-CB 3.21Å; C879-E881 PolarHBondContact SG-N 3.15Å; C879-E881 VanDerWaalsContact SG-N 3.4Å; C879-H894 PolarHBondContact SG-NE2 3.37Å; C879-M901 HydrophobicContact CB-CG 4.44Å; C879-L992 HydrophobicContact CB-CD2 3.86Å |
| 880 | G | 83.3 | Confident | 79.3 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | trans | 77 | 8.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C876 | C876-G880 WeakPolarHBondContact O-CA 3.37Å; C876-G880 PolarHBondContact O-N 3.28Å | ||
| 881 | E | 84.4 | Confident | 80.8 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -66 | 135 | 177.4 | -172.2 | 171.7 | -176.7 | 0 | 0 | 110.6 | T875 C876 C879 F886 H894 | T875-E881 CarbonylContact C-O 3.59Å; T875-E881 WeakPolarHBondContact CA-O 3.5Å; C876-E881 PolarHBondContact N-O 2.8Å; C879-E881 VanDerWaalsContact C-N 3.31Å; C879-E881 PolarHBondContact O-N 3.38Å; C879-E881 WeakPolarHBondContact SG-CB 3.21Å; C879-E881 PolarHBondContact SG-N 3.15Å; C879-E881 VanDerWaalsContact SG-N 3.4Å; E881-F886 HydrophobicContact CB-CE2 4.02Å; E881-F886 HydrophobicContact CB-CZ 4.36Å; E881-F886 HydrophobicContact CG-CE2 3.96Å; E881-F886 HydrophobicContact CG-CZ 4.04Å; E881-F886 VanDerWaalsContact O-CE2 3.31Å; E881-F886 WeakPolarHBondContact O-CE2 3.34Å; E881-H894 IonicContact OE2-CE1 3.44Å; E881-H894 PolarHBondContact OE2-CE1 3.2Å; E881-H894 IonicContact OE2-ND1 2.74Å | ||
| 882 | Q | 82.1 | Confident | 81.8 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 67% | 0.673 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -108.7 | 129 | 172.5 | -72.4 | -173.6 | -13.8 | 0 | 0 | 109.3 | K874 T875 | K874-Q882 WeakPolarHBondContact O-CA 3.37Å; T875-Q882 HydrophobicContact CG2-CG 3.69Å; T875-Q882 VanDerWaalsContact OG1-CG 3.32Å; T875-Q882 WeakPolarHBondContact OG1-CG 3.37Å; T875-Q882 PolarHBondContact OG1-NE2 3.17Å; T875-Q882 VanDerWaalsContact OG1-NE2 3.17Å |
| 883 | N | 80.2 | Confident | 82.8 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | trans | -149.7 | 132.2 | 178.5 | -169 | -23.3 | 0 | 0 | 0 | 109.9 | K874 S885 F886 | K874-N883 PolarHBondContact O-N 3.3Å; N883-S885 PolarHBondContact ND2-OG 2.78Å; N883-S885 PolarHBondContact O-N 3.19Å; N883-S885 VanDerWaalsContact O-N 3.13Å; N883-S885 PolarHBondContact OD1-N 3.14Å; N883-S885 PolarHBondContact OD1-OG 3.27Å; N883-S885 VanDerWaalsContact OD1-OG 3.05Å; N883-F886 HydrophobicContact CB-CD1 3.9Å; N883-F886 HydrophobicContact CB-CD2 3.73Å; N883-F886 HydrophobicContact CB-CE1 3.87Å; N883-F886 HydrophobicContact CB-CE2 3.7Å; N883-F886 HydrophobicContact CB-CG 3.81Å; N883-F886 HydrophobicContact CB-CZ 3.76Å; N883-F886 WeakPolarHBondContact O-CB 3.36Å; N883-F886 PolarHBondContact O-N 3.12Å | ||
| 884 | D | 79.1 | Confident | 83.8 | Confident | 123 Ų | 123 | 64.1 Ų | 64.1 | 66% | 0.658 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.8 | 176.4 | -74.7 | -46.9 | 0 | 0 | 0 | 113.5 | K874 F886 | K874-D884 WeakPolarHBondContact CD-OD1 3.41Å; K874-D884 IonicContact NZ-OD1 3.65Å; K874-D884 PolarHBondContact NZ-OD1 3.21Å; D884-F886 VanDerWaalsContact C-N 3.25Å; D884-F886 PolarHBondContact O-N 3.22Å |
| 885 | S | 79.4 | Confident | 84.1 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | 172.4 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | N883 T887 | N883-S885 PolarHBondContact ND2-OG 2.78Å; N883-S885 PolarHBondContact O-N 3.19Å; N883-S885 VanDerWaalsContact O-N 3.13Å; N883-S885 PolarHBondContact OD1-N 3.14Å; N883-S885 PolarHBondContact OD1-OG 3.27Å; N883-S885 VanDerWaalsContact OD1-OG 3.05Å; S885-T887 PolarHBondContact O-N 2.87Å |
| 886 | F | 84.3 | Confident | 84.1 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | trans | -79.1 | 70.3 | 173.3 | -69.4 | -10.7 | 0 | 0 | 0 | 109.5 | K874 C876 E881 N883 D884 L891 H894 | K874-F886 HydrophobicContact CB-CB 4.49Å; K874-F886 WeakPolarHBondContact O-CD2 3.24Å; C876-F886 HydrophobicContact CB-CE2 4.17Å; E881-F886 HydrophobicContact CB-CE2 4.02Å; E881-F886 HydrophobicContact CB-CZ 4.36Å; E881-F886 HydrophobicContact CG-CE2 3.96Å; E881-F886 HydrophobicContact CG-CZ 4.04Å; E881-F886 VanDerWaalsContact O-CE2 3.31Å; E881-F886 WeakPolarHBondContact O-CE2 3.34Å; N883-F886 HydrophobicContact CB-CD1 3.9Å; N883-F886 HydrophobicContact CB-CD2 3.73Å; N883-F886 HydrophobicContact CB-CE1 3.87Å; N883-F886 HydrophobicContact CB-CE2 3.7Å; N883-F886 HydrophobicContact CB-CG 3.81Å; N883-F886 HydrophobicContact CB-CZ 3.76Å; N883-F886 WeakPolarHBondContact O-CB 3.36Å; N883-F886 PolarHBondContact O-N 3.12Å; D884-F886 VanDerWaalsContact C-N 3.25Å; D884-F886 PolarHBondContact O-N 3.22Å; F886-L891 HydrophobicContact CB-CD2 4Å; F886-L891 HydrophobicContact CB-CG 3.9Å; F886-L891 HydrophobicContact CD2-CD2 3.93Å; F886-L891 HydrophobicContact CG-CD2 3.96Å; F886-L891 HydrophobicContact CG-CG 4.33Å; F886-H894 HydrophobicContact CD1-CB 4.37Å; F886-H894 HydrophobicContact CE1-CB 3.75Å; F886-H894 AromaticContact CE1-CG 3.92Å; F886-H894 AromaticContact CE1-ND1 3.9Å; F886-H894 HydrophobicContact CZ-CB 4.1Å; F886-H894 AromaticContact CZ-CG 3.75Å; F886-H894 AromaticContact CZ-ND1 3.51Å | ||
| 887 | T | 81.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -70 | 174.3 | 155.5 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | S885 E889 G890 L891 | S885-T887 PolarHBondContact O-N 2.87Å; T887-E889 PolarHBondContact O-N 3.35Å; T887-G890 CarbonylContact O-C 3.53Å; T887-G890 WeakPolarHBondContact O-CA 3.46Å; T887-G890 PolarHBondContact O-N 3.19Å; T887-G890 PolarHBondContact OG1-N 3.45Å; T887-G890 VanDerWaalsContact OG1-N 3.14Å; T887-L891 PolarHBondContact O-N 2.86Å |
| 888 | E | 77.6 | Confident | 83.8 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -46.8 | -49.5 | 172 | -172.3 | -179.8 | 173.3 | 0 | 0 | 111.4 | Q216 L891 D892 | Q216-E888 PolarHBondContact NE2-OE1 3.39Å; Q216-E888 PolarHBondContact NE2-OE2 3.03Å; E888-L891 PolarHBondContact O-N 3.3Å; E888-D892 PolarHBondContact O-N 3.27Å; E888-D892 VanDerWaalsContact O-N 3.12Å |
| 889 | E | 82.3 | Confident | 83.9 | Confident | 127 Ų | 127 | 67.8 Ų | 67.8 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 174.6 | -62.8 | 168.9 | 176.5 | 0 | 0 | 113 | T887 D892 I893 | T887-E889 PolarHBondContact O-N 3.35Å; E889-D892 PolarHBondContact O-N 3.37Å; E889-I893 VanDerWaalsContact O-CG1 3.24Å; E889-I893 WeakPolarHBondContact O-CG1 3.28Å; E889-I893 PolarHBondContact O-N 3.28Å |
| 890 | G | 84.4 | Confident | 84 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T887 H894 | T887-G890 CarbonylContact O-C 3.53Å; T887-G890 WeakPolarHBondContact O-CA 3.46Å; T887-G890 PolarHBondContact O-N 3.19Å; T887-G890 PolarHBondContact OG1-N 3.45Å; T887-G890 VanDerWaalsContact OG1-N 3.14Å; G890-H894 WeakPolarHBondContact O-CB 3.14Å; G890-H894 PolarHBondContact O-N 2.93Å |
| 891 | L | 86 | Confident | 84.3 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 172 | -83.5 | 174.1 | 0 | 0 | 0 | 111.1 | D873 C876 F886 T887 E888 I893 H894 Y895 | D873-L891 WeakPolarHBondContact O-CD1 3.26Å; C876-L891 HydrophobicContact CB-CD2 4.23Å; F886-L891 HydrophobicContact CB-CD2 4Å; F886-L891 HydrophobicContact CB-CG 3.9Å; F886-L891 HydrophobicContact CD2-CD2 3.93Å; F886-L891 HydrophobicContact CG-CD2 3.96Å; F886-L891 HydrophobicContact CG-CG 4.33Å; T887-L891 PolarHBondContact O-N 2.86Å; E888-L891 PolarHBondContact O-N 3.3Å; L891-I893 VanDerWaalsContact C-N 3.32Å; L891-I893 PolarHBondContact O-N 3.48Å; L891-H894 CarbonylContact O-C 3.5Å; L891-H894 WeakPolarHBondContact O-CA 3.47Å; L891-H894 WeakPolarHBondContact O-CB 3.33Å; L891-H894 PolarHBondContact O-N 2.89Å; L891-H894 VanDerWaalsContact O-N 3.08Å; L891-Y895 HydrophobicContact CB-CE2 4.06Å; L891-Y895 HydrophobicContact CD2-CE1 4.22Å; L891-Y895 WeakPolarHBondContact O-CD2 3.44Å; L891-Y895 PolarHBondContact O-N 3.24Å |
| 892 | D | 84.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.6 | -79.5 | -17.8 | 0 | 0 | 0 | 111.8 | E888 E889 H894 Y895 W896 | E888-D892 PolarHBondContact O-N 3.27Å; E888-D892 VanDerWaalsContact O-N 3.12Å; E889-D892 PolarHBondContact O-N 3.37Å; D892-H894 VanDerWaalsContact C-N 3.33Å; D892-H894 PolarHBondContact O-N 2.85Å; D892-Y895 PolarHBondContact O-N 2.99Å; D892-W896 WeakPolarHBondContact O-CB 3.37Å; D892-W896 PolarHBondContact O-N 2.83Å |
| 893 | I | 85.6 | Confident | 85 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 172.3 | -69 | 166.2 | 0 | 0 | 0 | 110.4 | E889 L891 W896 K897 | E889-I893 VanDerWaalsContact O-CG1 3.24Å; E889-I893 WeakPolarHBondContact O-CG1 3.28Å; E889-I893 PolarHBondContact O-N 3.28Å; L891-I893 VanDerWaalsContact C-N 3.32Å; L891-I893 PolarHBondContact O-N 3.48Å; I893-W896 PolarHBondContact O-N 2.74Å; I893-K897 HydrophobicContact CG2-CD 4.14Å; I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.4Å; I893-K897 PolarHBondContact O-N 2.99Å |
| 894 | H | 89.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -62 | -49.8 | 176.7 | 178.7 | 85.5 | 0 | 0 | 0 | 111.1 | C876 C879 E881 F886 G890 L891 D892 W896 K897 S898 C899 | C876-H894 PolarHBondContact SG-CD2 2.83Å; C876-H894 PolarHBondContact SG-NE2 3.33Å; C879-H894 PolarHBondContact SG-NE2 3.37Å; E881-H894 IonicContact OE2-CE1 3.44Å; E881-H894 PolarHBondContact OE2-CE1 3.2Å; E881-H894 IonicContact OE2-ND1 2.74Å; F886-H894 HydrophobicContact CD1-CB 4.37Å; F886-H894 HydrophobicContact CE1-CB 3.75Å; F886-H894 AromaticContact CE1-CG 3.92Å; F886-H894 AromaticContact CE1-ND1 3.9Å; F886-H894 HydrophobicContact CZ-CB 4.1Å; F886-H894 AromaticContact CZ-CG 3.75Å; F886-H894 AromaticContact CZ-ND1 3.51Å; G890-H894 WeakPolarHBondContact O-CB 3.14Å; G890-H894 PolarHBondContact O-N 2.93Å; L891-H894 CarbonylContact O-C 3.5Å; L891-H894 WeakPolarHBondContact O-CA 3.47Å; L891-H894 WeakPolarHBondContact O-CB 3.33Å; L891-H894 PolarHBondContact O-N 2.89Å; L891-H894 VanDerWaalsContact O-N 3.08Å; D892-H894 VanDerWaalsContact C-N 3.33Å; D892-H894 PolarHBondContact O-N 2.85Å; H894-W896 VanDerWaalsContact C-N 3.3Å; H894-W896 PolarHBondContact O-N 3.23Å; H894-K897 PolarHBondContact O-N 2.99Å; H894-S898 CarbonylContact O-C 3.6Å; H894-S898 PolarHBondContact O-N 3.08Å; H894-C899 WeakPolarHBondContact NE2-CA 3.46Å; H894-C899 VanDerWaalsContact NE2-CB 3.34Å; H894-C899 WeakPolarHBondContact NE2-CB 3.39Å; H894-C899 WeakPolarHBondContact O-CB 3.36Å; H894-C899 PolarHBondContact O-N 3.4Å |
| 895 | Y | 88.4 | Confident | 85.8 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -57.5 | -44.7 | 177.1 | -60.9 | -27.5 | 0 | 0 | 0 | 111.6 | C876 I877 F878 L891 D892 L902 R1009 | C876-Y895 HydrophobicContact CB-CE1 4.37Å; I877-Y895 HydrophobicContact CG1-CE1 4.33Å; F878-Y895 AromaticContact CD2-CD1 3.7Å; F878-Y895 HydrophobicContact CD2-CD1 3.7Å; F878-Y895 AromaticContact CD2-CE1 3.64Å; F878-Y895 HydrophobicContact CD2-CE1 3.64Å; F878-Y895 AromaticContact CE2-CD1 3.84Å; F878-Y895 HydrophobicContact CE2-CD1 3.84Å; F878-Y895 AromaticContact CE2-CE1 3.83Å; F878-Y895 HydrophobicContact CE2-CE1 3.83Å; F878-Y895 HydrophobicContact CE2-CG 4.29Å; L891-Y895 HydrophobicContact CB-CE2 4.06Å; L891-Y895 HydrophobicContact CD2-CE1 4.22Å; L891-Y895 WeakPolarHBondContact O-CD2 3.44Å; L891-Y895 PolarHBondContact O-N 3.24Å; D892-Y895 PolarHBondContact O-N 2.99Å; Y895-L902 HydrophobicContact CD1-CD1 4.29Å; Y895-L902 HydrophobicContact CG-CD1 4.36Å; Y895-L902 WeakPolarHBondContact O-CD1 3.36Å; Y895-R1009 PolarHBondContact O-NH1 3.39Å |
| 896 | W | 84.2 | Confident | 86.1 | Confident | 117 Ų | 117 | 53 Ų | 53 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -76.5 | -34.9 | -175.3 | -168.1 | -112.8 | 0 | 0 | 0 | 113.7 | D892 I893 H894 R904 K909 A911 R1009 | D892-W896 WeakPolarHBondContact O-CB 3.37Å; D892-W896 PolarHBondContact O-N 2.83Å; I893-W896 PolarHBondContact O-N 2.74Å; H894-W896 VanDerWaalsContact C-N 3.3Å; H894-W896 PolarHBondContact O-N 3.23Å; W896-R904 VanDerWaalsContact O-CZ 3.26Å; W896-R904 PolarHBondContact O-NE 3.43Å; W896-R904 PolarHBondContact O-NH2 3.45Å; W896-K909 VanDerWaalsContact CH2-O 3.3Å; W896-K909 WeakPolarHBondContact CH2-O 3.48Å; W896-A911 HydrophobicContact CE3-CB 4.27Å; W896-R1009 PolarHBondContact O-NH2 3.07Å |
| 897 | K | 84.1 | Confident | 86.2 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 52% | 0.522 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -113.2 | -43.7 | -172 | -62.5 | -172.5 | -175.5 | 171.6 | 0 | 114.2 | I893 H894 R1009 | I893-K897 HydrophobicContact CG2-CD 4.14Å; I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.4Å; I893-K897 PolarHBondContact O-N 2.99Å; H894-K897 PolarHBondContact O-N 2.99Å; K897-R1009 PolarHBondContact O-NE 3.24Å |
| 898 | S | 83.9 | Confident | 86.6 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -117.8 | -22.1 | -158.5 | -49.3 | 0 | 0 | 0 | 0 | 114.9 | H894 P900 | H894-S898 CarbonylContact O-C 3.6Å; H894-S898 PolarHBondContact O-N 3.08Å; S898-P900 WeakPolarHBondContact O-CD 3.3Å; S898-P900 VanDerWaalsContact O-N 3.15Å |
| 899 | C | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -61.5 | 115.8 | -174.1 | -178 | 0 | 0 | 0 | 0 | 111 | H894 M901 L902 R1009 | H894-C899 WeakPolarHBondContact NE2-CA 3.46Å; H894-C899 VanDerWaalsContact NE2-CB 3.34Å; H894-C899 WeakPolarHBondContact NE2-CB 3.39Å; H894-C899 WeakPolarHBondContact O-CB 3.36Å; H894-C899 PolarHBondContact O-N 3.4Å; C899-M901 PolarHBondContact O-N 2.9Å; C899-M901 VanDerWaalsContact O-N 3.14Å; C899-L902 HydrophobicContact CB-CB 4.34Å; C899-L902 HydrophobicContact CB-CD1 4.09Å; C899-L902 HydrophobicContact CB-CG 4.24Å; C899-L902 PolarHBondContact O-N 2.73Å; C899-R1009 WeakPolarHBondContact O-CD 3.31Å; C899-R1009 PolarHBondContact O-NH1 3.33Å | ||
| 900 | P | 90.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15 | -175.9 | -21.2 | 32.7 | 0 | 0 | 0 | 114.6 | S898 I914 L992 N1007 | S898-P900 WeakPolarHBondContact O-CD 3.3Å; S898-P900 VanDerWaalsContact O-N 3.15Å; P900-I914 WeakPolarHBondContact O-CD1 3.25Å; P900-L992 HydrophobicContact CB-CD2 3.88Å; P900-L992 HydrophobicContact CG-CD2 4.04Å; P900-N1007 PolarHBondContact O-ND2 3.04Å |
| 901 | M | 89.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.3 | 179.2 | -67.8 | -157.5 | 69.9 | 0 | 0 | 113.9 | F878 C879 C899 E913 I914 K988 L992 | F878-M901 VanDerWaalsContact C-SD 3.51Å; F878-M901 HydrophobicContact CB-CB 3.99Å; F878-M901 HydrophobicContact CB-SD 4.4Å; C879-M901 HydrophobicContact CB-CG 4.44Å; C899-M901 PolarHBondContact O-N 2.9Å; C899-M901 VanDerWaalsContact O-N 3.14Å; M901-E913 WeakPolarHBondContact O-CA 3.01Å; M901-I914 PolarHBondContact O-N 3.33Å; M901-K988 HydrophobicContact CE-CG 3.55Å; M901-K988 HydrophobicContact SD-CD 4.32Å; M901-K988 HydrophobicContact SD-CG 3.51Å; M901-K988 VanDerWaalsContact SD-CG 3.51Å; M901-L992 HydrophobicContact CG-CD2 4.3Å; M901-L992 HydrophobicContact SD-CD1 4.48Å |
| 902 | L | 91.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.4 | -177.7 | -61.4 | 177.6 | 0 | 0 | 0 | 111.2 | F878 Y895 C899 F912 E913 R1009 | F878-L902 HydrophobicContact CD1-CD2 4.04Å; F878-L902 HydrophobicContact CD2-CD1 3.84Å; F878-L902 HydrophobicContact CD2-CD2 4.36Å; F878-L902 HydrophobicContact CD2-CG 4.24Å; F878-L902 HydrophobicContact CE1-CD2 4.02Å; F878-L902 HydrophobicContact CE2-CD1 3.87Å; F878-L902 HydrophobicContact CE2-CD2 4.35Å; F878-L902 HydrophobicContact CG-CD1 4.4Å; F878-L902 HydrophobicContact CG-CD2 4.22Å; F878-L902 HydrophobicContact CG-CG 4.3Å; F878-L902 HydrophobicContact CZ-CD1 4.43Å; F878-L902 HydrophobicContact CZ-CD2 4.18Å; Y895-L902 HydrophobicContact CD1-CD1 4.29Å; Y895-L902 HydrophobicContact CG-CD1 4.36Å; Y895-L902 WeakPolarHBondContact O-CD1 3.36Å; C899-L902 HydrophobicContact CB-CB 4.34Å; C899-L902 HydrophobicContact CB-CD1 4.09Å; C899-L902 HydrophobicContact CB-CG 4.24Å; C899-L902 PolarHBondContact O-N 2.73Å; L902-F912 CarbonylContact C-O 3.54Å; L902-F912 VanDerWaalsContact CA-O 3.3Å; L902-F912 WeakPolarHBondContact CA-O 3.42Å; L902-E913 HydrophobicContact CD2-CB 4.41Å; L902-E913 HydrophobicContact CD2-CG 3.77Å; L902-R1009 VanDerWaalsContact O-CD 3.31Å; L902-R1009 WeakPolarHBondContact O-CD 3.39Å; L902-R1009 PolarHBondContact O-NE 3.42Å; L902-R1009 PolarHBondContact O-NH1 3.29Å |
| 903 | H | 88.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.4 | 176.5 | -169.9 | 80.6 | 0 | 0 | 0 | 110.3 | A911 F912 I914 | H903-A911 WeakPolarHBondContact O-CA 3.38Å; H903-F912 PolarHBondContact N-O 3.46Å; H903-F912 PolarHBondContact O-N 2.66Å; H903-I914 HydrophobicContact CB-CD1 4.48Å; H903-I914 HydrophobicContact CB-CG1 3.68Å |
| 904 | R | 88.7 | Confident | 87.8 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.7 | 176.7 | -65.8 | -168.9 | -169 | 166.1 | 7.4 | 110 | W896 Q910 | W896-R904 VanDerWaalsContact O-CZ 3.26Å; W896-R904 PolarHBondContact O-NE 3.43Å; W896-R904 PolarHBondContact O-NH2 3.45Å; R904-Q910 CarbonylContact C-O 3.52Å; R904-Q910 WeakPolarHBondContact CA-O 3.37Å |
| 905 | C | 88.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | trans | -58.8 | 132.8 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | N907 C908 K909 Q910 F912 H920 | C905-N907 PolarHBondContact O-N 2.95Å; C905-N907 PolarHBondContact SG-N 2.9Å; C905-N907 VanDerWaalsContact SG-N 3.4Å; C905-C908 WeakPolarHBondContact CB-SG 3.41Å; C905-C908 VanDerWaalsContact SG-SG 3.7Å; C905-K909 VanDerWaalsContact O-CA 3.27Å; C905-K909 WeakPolarHBondContact O-CA 3.29Å; C905-K909 PolarHBondContact O-N 3.06Å; C905-K909 VanDerWaalsContact O-N 3.08Å; C905-Q910 PolarHBondContact N-O 2.65Å; C905-F912 HydrophobicContact CB-CD2 4.31Å; C905-F912 HydrophobicContact CB-CE2 4.41Å; C905-H920 PolarHBondContact SG-NE2 3.41Å | ||
| 906 | P | 85 | Confident | 87.7 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.6 | 178.8 | 22.9 | -32.6 | 0 | 0 | 0 | 113.2 | K909 | P906-K909 PolarHBondContact O-NZ 3.35Š|
| 907 | N | 86.9 | Confident | 88 | Confident | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -64.3 | -177.1 | -50.9 | -39.1 | 0 | 0 | 0 | 112 | C905 L921 A927 Y933 | C905-N907 PolarHBondContact O-N 2.95Å; C905-N907 PolarHBondContact SG-N 2.9Å; C905-N907 VanDerWaalsContact SG-N 3.4Å; N907-L921 WeakPolarHBondContact ND2-CD2 3.47Å; N907-A927 HydrophobicContact CB-CB 4.07Å; N907-Y933 VanDerWaalsContact ND2-CE2 3.33Å; N907-Y933 WeakPolarHBondContact ND2-CE2 3.45Å; N907-Y933 PolarHBondContact ND2-OH 3.18Å; N907-Y933 PolarHBondContact OD1-OH 3.15Å |
| 908 | C | 88.8 | Confident | 88.2 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.9 | -174.4 | 70.5 | 0 | 0 | 0 | 0 | 114.7 | C905 Q910 H920 A927 | C905-C908 WeakPolarHBondContact CB-SG 3.41Å; C905-C908 VanDerWaalsContact SG-SG 3.7Å; C908-Q910 PolarHBondContact O-N 2.74Å; C908-H920 PolarHBondContact SG-NE2 2.86Å; C908-H920 VanDerWaalsContact SG-NE2 3.43Å; C908-A927 HydrophobicContact CB-CB 3.82Å |
| 909 | K | 86.6 | Confident | 88.4 | Confident | 124 Ų | 124 | 37.7 Ų | 37.7 | 54% | 0.539 | 20% | 0.203 | S | C | . | . | trans | 62.7 | -1.5 | 180 | -51.3 | -54.8 | -173.7 | -165.3 | 0 | 116.8 | W896 C905 P906 | W896-K909 VanDerWaalsContact CH2-O 3.3Å; W896-K909 WeakPolarHBondContact CH2-O 3.48Å; C905-K909 VanDerWaalsContact O-CA 3.27Å; C905-K909 WeakPolarHBondContact O-CA 3.29Å; C905-K909 PolarHBondContact O-N 3.06Å; C905-K909 VanDerWaalsContact O-N 3.08Å; P906-K909 PolarHBondContact O-NZ 3.35Å | ||
| 910 | Q | 85.8 | Confident | 88.4 | Confident | 81 Ų | 81 | 37.8 Ų | 37.8 | 38% | 0.379 | 20% | 0.203 | S | C | . | . | trans | -67.2 | 149 | 172.5 | -66.7 | 170.7 | -9.3 | 0 | 0 | 111.4 | R904 C905 C908 F912 | R904-Q910 CarbonylContact C-O 3.52Å; R904-Q910 WeakPolarHBondContact CA-O 3.37Å; C905-Q910 PolarHBondContact N-O 2.65Å; C908-Q910 PolarHBondContact O-N 2.74Å; Q910-F912 HydrophobicContact CB-CD2 4.3Å; Q910-F912 HydrophobicContact CB-CE2 3.57Å; Q910-F912 HydrophobicContact CB-CZ 4.15Å | ||
| 911 | A | 87.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 26% | 0.256 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | W896 H903 | W896-A911 HydrophobicContact CE3-CB 4.27Å; H903-A911 WeakPolarHBondContact O-CA 3.38Å |
| 912 | F | 86.8 | Confident | 88.3 | Confident | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.4 | 179.1 | -70.6 | -85.2 | 0 | 0 | 0 | 110.9 | L902 H903 C905 Q910 I914 H920 | L902-F912 CarbonylContact C-O 3.54Å; L902-F912 VanDerWaalsContact CA-O 3.3Å; L902-F912 WeakPolarHBondContact CA-O 3.42Å; H903-F912 PolarHBondContact N-O 3.46Å; H903-F912 PolarHBondContact O-N 2.66Å; C905-F912 HydrophobicContact CB-CD2 4.31Å; C905-F912 HydrophobicContact CB-CE2 4.41Å; Q910-F912 HydrophobicContact CB-CD2 4.3Å; Q910-F912 HydrophobicContact CB-CE2 3.57Å; Q910-F912 HydrophobicContact CB-CZ 4.15Å; F912-I914 PolarHBondContact O-N 2.88Å; F912-H920 AromaticContact CE1-ND1 3.71Å; F912-H920 AromaticContact CE2-CD2 3.94Å; F912-H920 AromaticContact CE2-CE1 3.16Å; F912-H920 WeakPolarHBondContact CE2-CE1 3.36Å; F912-H920 AromaticContact CE2-CG 3.9Å; F912-H920 AromaticContact CE2-ND1 3.44Å; F912-H920 WeakPolarHBondContact CE2-ND1 3.5Å; F912-H920 AromaticContact CE2-NE2 3.51Å; F912-H920 AromaticContact CZ-CE1 3.28Å; F912-H920 WeakPolarHBondContact CZ-CE1 3.33Å; F912-H920 AromaticContact CZ-ND1 3.26Å; F912-H920 VanDerWaalsContact CZ-ND1 3.26Å; F912-H920 WeakPolarHBondContact CZ-ND1 3.41Å |
| 913 | E | 91.2 | Very high | 88.1 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 134.1 | 168.9 | -66.7 | -176.7 | -144.3 | 0 | 0 | 110.5 | R723 F878 M901 L902 A915 G916 L917 | R723-E913 IonicContact NH2-OE1 3.83Å; F878-E913 HydrophobicContact CD1-CG 3.99Å; F878-E913 HydrophobicContact CE1-CG 3.9Å; F878-E913 WeakPolarHBondContact CE1-OE1 3.33Å; M901-E913 WeakPolarHBondContact O-CA 3.01Å; L902-E913 HydrophobicContact CD2-CB 4.41Å; L902-E913 HydrophobicContact CD2-CG 3.77Å; E913-A915 PolarHBondContact O-N 3.26Å; E913-A915 VanDerWaalsContact O-N 3.09Å; E913-G916 PolarHBondContact O-N 3.18Å; E913-L917 PolarHBondContact O-N 2.82Å |
| 914 | I | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.3 | -31.6 | -178.3 | -69.1 | 161.4 | 0 | 0 | 0 | 111.4 | P900 M901 H903 F912 G916 L917 P965 L966 W987 L991 | P900-I914 WeakPolarHBondContact O-CD1 3.25Å; M901-I914 PolarHBondContact O-N 3.33Å; H903-I914 HydrophobicContact CB-CD1 4.48Å; H903-I914 HydrophobicContact CB-CG1 3.68Å; F912-I914 PolarHBondContact O-N 2.88Å; I914-G916 VanDerWaalsContact C-N 3.28Å; I914-G916 PolarHBondContact O-N 3.37Å; I914-L917 PolarHBondContact O-N 3.07Å; I914-P965 HydrophobicContact CG2-CG 3.93Å; I914-P965 WeakPolarHBondContact O-CG 3.49Å; I914-L966 HydrophobicContact CD1-CD1 3.63Å; I914-L966 HydrophobicContact CG1-CD1 4.07Å; I914-L966 HydrophobicContact CG2-CD1 4.07Å; I914-L966 HydrophobicContact CG2-CG 4.09Å; I914-W987 HydrophobicContact CG2-CE3 4.48Å; I914-W987 HydrophobicContact CG2-CZ3 3.87Å; I914-L991 HydrophobicContact CB-CD1 4.06Å; I914-L991 HydrophobicContact CD1-CD1 3.91Å; I914-L991 HydrophobicContact CD1-CD2 3.8Å; I914-L991 HydrophobicContact CD1-CG 4.47Å; I914-L991 HydrophobicContact CG2-CD1 4.43Å; I914-L991 HydrophobicContact CG2-CD2 4.28Å |
| 915 | A | 88 | Confident | 87.9 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -62.3 | -30 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | E913 W987 | E913-A915 PolarHBondContact O-N 3.26Å; E913-A915 VanDerWaalsContact O-N 3.09Å; A915-W987 HydrophobicContact CB-CD2 3.8Å; A915-W987 HydrophobicContact CB-CE3 4.42Å; A915-W987 HydrophobicContact CB-CG 4.06Å; A915-W987 HydrophobicContact CB-CH2 4.49Å; A915-W987 HydrophobicContact CB-CZ2 3.91Å |
| 916 | G | 87.8 | Confident | 87.7 | Confident | 29 Ų | 29 | 55.5 Ų | 55.5 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -97.4 | -6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E913 I914 T918 D919 H920 | E913-G916 PolarHBondContact O-N 3.18Å; I914-G916 VanDerWaalsContact C-N 3.28Å; I914-G916 PolarHBondContact O-N 3.37Å; G916-T918 VanDerWaalsContact C-N 3.3Å; G916-T918 PolarHBondContact O-N 2.87Å; G916-D919 PolarHBondContact O-N 3.47Å; G916-D919 VanDerWaalsContact O-N 3.12Å; G916-H920 PolarHBondContact O-N 3.24Å |
| 917 | L | 88.7 | Confident | 87.5 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -37.6 | -170.6 | -176.1 | 62.3 | 0 | 0 | 0 | 113.5 | E913 I914 L921 P965 | E913-L917 PolarHBondContact O-N 2.82Å; I914-L917 PolarHBondContact O-N 3.07Å; L917-L921 HydrophobicContact CG-CD1 4.44Å; L917-L921 WeakPolarHBondContact O-CG 3.47Å; L917-L921 PolarHBondContact O-N 3.2Å; L917-L921 VanDerWaalsContact O-N 3.13Å; L917-P965 HydrophobicContact CB-CG 4.23Å; L917-P965 HydrophobicContact CD2-CB 4.4Å; L917-P965 HydrophobicContact CD2-CG 4.16Å |
| 918 | T | 88.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | G916 L922 A942 | G916-T918 VanDerWaalsContact C-N 3.3Å; G916-T918 PolarHBondContact O-N 2.87Å; T918-L922 HydrophobicContact CG2-CD1 4.11Å; T918-L922 WeakPolarHBondContact O-CD1 3.1Å; T918-L922 VanDerWaalsContact O-CG 3.25Å; T918-L922 WeakPolarHBondContact O-CG 3.48Å; T918-L922 PolarHBondContact O-N 3.46Å; T918-A942 HydrophobicContact CG2-CB 4.09Å |
| 919 | D | 89 | Confident | 86.9 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.2 | -35.4 | -178.9 | -69.2 | -32 | 0 | 0 | 0 | 111.4 | G916 L921 L922 K923 R935 | G916-D919 PolarHBondContact O-N 3.47Å; G916-D919 VanDerWaalsContact O-N 3.12Å; D919-L921 PolarHBondContact O-N 3Å; D919-L922 PolarHBondContact O-N 3Å; D919-K923 PolarHBondContact O-N 2.87Å; D919-R935 IonicContact OD1-CZ 3.92Å; D919-R935 IonicContact OD1-NH1 2.72Å; D919-R935 PolarHBondContact OD1-NH1 3.02Å; D919-R935 IonicContact OD1-NH2 2.67Å |
| 920 | H | 90.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -55.6 | -50.5 | 171.9 | 171.2 | 72.2 | 0 | 0 | 0 | 111.9 | C905 C908 F912 G916 L922 K923 E924 C925 | C905-H920 PolarHBondContact SG-NE2 3.41Å; C908-H920 PolarHBondContact SG-NE2 2.86Å; C908-H920 VanDerWaalsContact SG-NE2 3.43Å; F912-H920 AromaticContact CE1-ND1 3.71Å; F912-H920 AromaticContact CE2-CD2 3.94Å; F912-H920 AromaticContact CE2-CE1 3.16Å; F912-H920 WeakPolarHBondContact CE2-CE1 3.36Å; F912-H920 AromaticContact CE2-CG 3.9Å; F912-H920 AromaticContact CE2-ND1 3.44Å; F912-H920 WeakPolarHBondContact CE2-ND1 3.5Å; F912-H920 AromaticContact CE2-NE2 3.51Å; F912-H920 AromaticContact CZ-CE1 3.28Å; F912-H920 WeakPolarHBondContact CZ-CE1 3.33Å; F912-H920 AromaticContact CZ-ND1 3.26Å; F912-H920 VanDerWaalsContact CZ-ND1 3.26Å; F912-H920 WeakPolarHBondContact CZ-ND1 3.41Å; G916-H920 PolarHBondContact O-N 3.24Å; H920-L922 VanDerWaalsContact C-N 3.26Å; H920-L922 PolarHBondContact O-N 3.25Å; H920-K923 PolarHBondContact O-N 3.34Å; H920-E924 PolarHBondContact O-N 3.05Å; H920-C925 VanDerWaalsContact CE1-CA 3.46Å; H920-C925 WeakPolarHBondContact CE1-CA 3.39Å; H920-C925 WeakPolarHBondContact NE2-CB 3.27Å; H920-C925 WeakPolarHBondContact O-CB 3.27Å; H920-C925 PolarHBondContact O-N 3.32Å |
| 921 | L | 89.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -64.3 | -28.6 | 179.8 | -71.5 | 173.2 | 0 | 0 | 0 | 113.3 | N907 L917 D919 Y933 A942 | N907-L921 WeakPolarHBondContact ND2-CD2 3.47Å; L917-L921 HydrophobicContact CG-CD1 4.44Å; L917-L921 WeakPolarHBondContact O-CG 3.47Å; L917-L921 PolarHBondContact O-N 3.2Å; L917-L921 VanDerWaalsContact O-N 3.13Å; D919-L921 PolarHBondContact O-N 3Å; L921-Y933 HydrophobicContact CB-CD1 4.33Å; L921-Y933 HydrophobicContact CB-CG 4.25Å; L921-Y933 HydrophobicContact CD1-CD1 4.45Å; L921-Y933 HydrophobicContact CD1-CE1 4.25Å; L921-Y933 HydrophobicContact CD2-CE1 4.39Å; L921-Y933 HydrophobicContact CD2-CE2 4.24Å; L921-A942 HydrophobicContact CB-CB 3.85Å; L921-A942 HydrophobicContact CD1-CB 4.16Å |
| 922 | L | 88 | Confident | 86.3 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -84.6 | -31.1 | -178.6 | -69 | 171 | 0 | 0 | 0 | 113.5 | T918 D919 H920 R935 A942 | T918-L922 HydrophobicContact CG2-CD1 4.11Å; T918-L922 WeakPolarHBondContact O-CD1 3.1Å; T918-L922 VanDerWaalsContact O-CG 3.25Å; T918-L922 WeakPolarHBondContact O-CG 3.48Å; T918-L922 PolarHBondContact O-N 3.46Å; D919-L922 PolarHBondContact O-N 3Å; H920-L922 VanDerWaalsContact C-N 3.26Å; H920-L922 PolarHBondContact O-N 3.25Å; L922-R935 HydrophobicContact CD1-CB 3.99Å; L922-R935 HydrophobicContact CD1-CG 4.13Å; L922-R935 HydrophobicContact CD2-CB 4.34Å; L922-A942 HydrophobicContact CD1-CB 4.49Å; L922-A942 HydrophobicContact CD2-CB 4.06Å; L922-A942 HydrophobicContact CG-CB 3.94Å |
| 923 | K | 86.3 | Confident | 86.5 | Confident | 166 Ų | 166 | 56.5 Ų | 56.5 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -133.9 | -28.3 | -165.7 | -61.9 | 178.2 | -174.5 | 171.3 | 0 | 115.8 | D919 H920 | D919-K923 PolarHBondContact O-N 2.87Å; H920-K923 PolarHBondContact O-N 3.34Å |
| 924 | E | 86 | Confident | 86.3 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -120 | -12 | -163.6 | -56.7 | 173.1 | -176.4 | 0 | 0 | 113.8 | H920 E926 | H920-E924 PolarHBondContact O-N 3.05Å; E924-E926 PolarHBondContact O-N 2.92Å |
| 925 | C | 87.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | trans | -71.7 | 102.3 | -177.2 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | H920 A927 C928 | H920-C925 VanDerWaalsContact CE1-CA 3.46Å; H920-C925 WeakPolarHBondContact CE1-CA 3.39Å; H920-C925 WeakPolarHBondContact NE2-CB 3.27Å; H920-C925 WeakPolarHBondContact O-CB 3.27Å; H920-C925 PolarHBondContact O-N 3.32Å; C925-A927 VanDerWaalsContact C-N 3.29Å; C925-A927 PolarHBondContact O-N 3.46Å; C925-C928 HydrophobicContact CB-CB 3.78Å; C925-C928 WeakPolarHBondContact O-CB 3.48Å; C925-C928 PolarHBondContact O-N 3.09Å; C925-C928 VanDerWaalsContact SG-CB 3.55Å | ||
| 926 | E | 83.4 | Confident | 86.3 | Confident | 168 Ų | 168 | 60 Ų | 60 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.9 | 179.6 | -62.7 | 179.7 | 169 | 0 | 0 | 114 | E924 C928 | E924-E926 PolarHBondContact O-N 2.92Å; E926-C928 PolarHBondContact O-N 3.03Å |
| 927 | A | 82.4 | Confident | 86.2 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N907 C908 C925 | N907-A927 HydrophobicContact CB-CB 4.07Å; C908-A927 HydrophobicContact CB-CB 3.82Å; C925-A927 VanDerWaalsContact C-N 3.29Å; C925-A927 PolarHBondContact O-N 3.46Å |
| 928 | C | 80.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 11% | 0.108 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -104.2 | 131 | -177.3 | -172.4 | 0 | 0 | 0 | 0 | 110 | C925 E926 Q932 Y933 | C925-C928 HydrophobicContact CB-CB 3.78Å; C925-C928 WeakPolarHBondContact O-CB 3.48Å; C925-C928 PolarHBondContact O-N 3.09Å; C925-C928 VanDerWaalsContact SG-CB 3.55Å; E926-C928 PolarHBondContact O-N 3.03Å; C928-Q932 VanDerWaalsContact SG-CB 3.56Å; C928-Q932 PolarHBondContact SG-OE1 3.42Å; C928-Y933 WeakPolarHBondContact SG-CD2 3.46Å |
| 929 | T | 82.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -64.8 | 135.4 | 174.7 | 51 | 0 | 0 | 0 | 0 | 110.1 | G931 Q932 | T929-G931 PolarHBondContact O-N 3.04Å; T929-G931 VanDerWaalsContact O-N 3.12Å; T929-Q932 VanDerWaalsContact N-OE1 3.13Å; T929-Q932 VanDerWaalsContact O-CB 3.22Å; T929-Q932 WeakPolarHBondContact O-CB 3.42Å; T929-Q932 PolarHBondContact O-N 2.72Å; T929-Q932 WeakPolarHBondContact OG1-CB 3.47Å; T929-Q932 PolarHBondContact OG1-OE1 3.22Å | ||
| 930 | P | 78.9 | Confident | 85.4 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 90% | 0.903 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 122 | -179.9 | -28.8 | 34.8 | 0 | 0 | 0 | 112.1 | ||
| 931 | G | 80.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 6.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T929 K945 | T929-G931 PolarHBondContact O-N 3.04Å; T929-G931 VanDerWaalsContact O-N 3.12Å; G931-K945 WeakPolarHBondContact O-CD 3.45Å |
| 932 | Q | 87.3 | Confident | 85.2 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -69.3 | -32.3 | 173.2 | 170.6 | 176.9 | 16.5 | 0 | 0 | 112.8 | C928 T929 L944 K945 | C928-Q932 VanDerWaalsContact SG-CB 3.56Å; C928-Q932 PolarHBondContact SG-OE1 3.42Å; T929-Q932 VanDerWaalsContact N-OE1 3.13Å; T929-Q932 VanDerWaalsContact O-CB 3.22Å; T929-Q932 WeakPolarHBondContact O-CB 3.42Å; T929-Q932 PolarHBondContact O-N 2.72Å; T929-Q932 WeakPolarHBondContact OG1-CB 3.47Å; T929-Q932 PolarHBondContact OG1-OE1 3.22Å; Q932-L944 HydrophobicContact CG-CD2 3.63Å; Q932-L944 WeakPolarHBondContact O-CA 3.42Å; Q932-K945 PolarHBondContact O-N 3.41Å |
| 933 | Y | 89.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145 | 166.1 | -69.4 | -101.4 | 0 | 0 | 0 | 110.4 | N907 L921 C928 A942 V943 L944 | N907-Y933 VanDerWaalsContact ND2-CE2 3.33Å; N907-Y933 WeakPolarHBondContact ND2-CE2 3.45Å; N907-Y933 PolarHBondContact ND2-OH 3.18Å; N907-Y933 PolarHBondContact OD1-OH 3.15Å; L921-Y933 HydrophobicContact CB-CD1 4.33Å; L921-Y933 HydrophobicContact CB-CG 4.25Å; L921-Y933 HydrophobicContact CD1-CD1 4.45Å; L921-Y933 HydrophobicContact CD1-CE1 4.25Å; L921-Y933 HydrophobicContact CD2-CE1 4.39Å; L921-Y933 HydrophobicContact CD2-CE2 4.24Å; C928-Y933 WeakPolarHBondContact SG-CD2 3.46Å; Y933-A942 HydrophobicContact CD1-CB 4.21Å; Y933-V943 CarbonylContact C-O 3.42Å; Y933-V943 WeakPolarHBondContact CA-O 3.3Å; Y933-L944 HydrophobicContact CD1-CD2 4.42Å; Y933-L944 HydrophobicContact CD1-CG 4.33Å; Y933-L944 HydrophobicContact CD2-CD2 4.2Å; Y933-L944 HydrophobicContact CE1-CD2 4.01Å; Y933-L944 HydrophobicContact CE1-CG 3.82Å; Y933-L944 HydrophobicContact CE2-CD2 3.74Å; Y933-L944 HydrophobicContact CE2-CG 4.45Å |
| 934 | V | 88.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.6 | 176.9 | -88.8 | 0 | 0 | 0 | 0 | 109.3 | C936 V943 K945 L948 | V934-C936 PolarHBondContact O-N 3.11Å; V934-V943 WeakPolarHBondContact CG2-O 3.44Å; V934-V943 PolarHBondContact N-O 3.14Å; V934-V943 PolarHBondContact O-N 3.48Å; V934-K945 HydrophobicContact CG2-CB 3.88Å; V934-K945 HydrophobicContact CG2-CG 4.15Å; V934-L948 HydrophobicContact CG2-CD2 4.05Å |
| 935 | R | 89.9 | Confident | 85.3 | Confident | 121 Ų | 121 | 63 Ų | 63 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.6 | 179.6 | -158.7 | 172.9 | -150.5 | 118.4 | -3.4 | 109.7 | D919 L922 S937 S940 E941 | D919-R935 IonicContact OD1-CZ 3.92Å; D919-R935 IonicContact OD1-NH1 2.72Å; D919-R935 PolarHBondContact OD1-NH1 3.02Å; D919-R935 IonicContact OD1-NH2 2.67Å; L922-R935 HydrophobicContact CD1-CB 3.99Å; L922-R935 HydrophobicContact CD1-CG 4.13Å; L922-R935 HydrophobicContact CD2-CB 4.34Å; R935-S937 PolarHBondContact O-N 3.09Å; R935-S940 VanDerWaalsContact CG-O 3.29Å; R935-S940 WeakPolarHBondContact CG-O 3.42Å; R935-S940 PolarHBondContact NE-O 3.05Å; R935-E941 WeakPolarHBondContact CA-O 3.48Å |
| 936 | C | 87.7 | Confident | 85.3 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 38% | 0.381 | C | S | . | . | trans | -67.2 | 132.4 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | V934 K938 C939 S940 E941 V943 L948 C953 | V934-C936 PolarHBondContact O-N 3.11Å; C936-K938 PolarHBondContact O-N 3.44Å; C936-K938 PolarHBondContact SG-N 2.74Å; C936-C939 WeakPolarHBondContact CB-SG 3.41Å; C936-C939 VanDerWaalsContact SG-SG 3.69Å; C936-S940 WeakPolarHBondContact O-CA 3.33Å; C936-S940 PolarHBondContact O-N 2.93Å; C936-E941 PolarHBondContact N-O 3.14Å; C936-V943 HydrophobicContact CB-CG2 3.97Å; C936-L948 HydrophobicContact CB-CD1 4.44Å; C936-C953 VanDerWaalsContact SG-SG 3.68Å | ||
| 937 | S | 84.3 | Confident | 85.4 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 86% | 0.86 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.3 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | R935 | R935-S937 PolarHBondContact O-N 3.09Š|
| 938 | K | 82.3 | Confident | 85.5 | Confident | 133 Ų | 133 | 65 Ų | 65 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -49.4 | -178.7 | -65.5 | -179.5 | -178.3 | 178.5 | 0 | 112.9 | C936 P955 I956 | C936-K938 PolarHBondContact O-N 3.44Å; C936-K938 PolarHBondContact SG-N 2.74Å; K938-P955 WeakPolarHBondContact O-CA 3.42Å; K938-I956 PolarHBondContact O-N 3.46Å; K938-I956 VanDerWaalsContact O-N 3.16Å |
| 939 | C | 84.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.4 | -178 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | C936 E941 H951 C953 R963 | C936-C939 WeakPolarHBondContact CB-SG 3.41Å; C936-C939 VanDerWaalsContact SG-SG 3.69Å; C939-E941 HydrophobicContact CB-CG 4.46Å; C939-E941 PolarHBondContact O-N 3.41Å; C939-H951 PolarHBondContact SG-NE2 2.96Å; C939-H951 VanDerWaalsContact SG-NE2 3.44Å; C939-C953 HydrophobicContact CB-CB 3.78Å; C939-R963 WeakPolarHBondContact O-CD 3.3Å |
| 940 | S | 83 | Confident | 85.6 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | trans | 64.6 | 7.5 | -178.6 | 76.4 | 0 | 0 | 0 | 0 | 117.1 | R935 C936 | R935-S940 VanDerWaalsContact CG-O 3.29Å; R935-S940 WeakPolarHBondContact CG-O 3.42Å; R935-S940 PolarHBondContact NE-O 3.05Å; C936-S940 WeakPolarHBondContact O-CA 3.33Å; C936-S940 PolarHBondContact O-N 2.93Å | ||
| 941 | E | 86.5 | Confident | 85.8 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | trans | -79.3 | 159.5 | 175.8 | -64 | 172.8 | -169.5 | 0 | 0 | 112.4 | R935 C936 C939 V943 R963 H968 | R935-E941 WeakPolarHBondContact CA-O 3.48Å; C936-E941 PolarHBondContact N-O 3.14Å; C939-E941 HydrophobicContact CB-CG 4.46Å; C939-E941 PolarHBondContact O-N 3.41Å; E941-V943 PolarHBondContact O-N 2.6Å; E941-R963 VanDerWaalsContact OE1-CD 3.32Å; E941-R963 WeakPolarHBondContact OE1-CD 3.24Å; E941-R963 IonicContact OE1-CZ 3.68Å; E941-R963 IonicContact OE1-NE 2.69Å; E941-R963 PolarHBondContact OE1-NE 3.45Å; E941-R963 IonicContact OE1-NH2 3.85Å; E941-H968 IonicContact OE1-CE1 2.68Å; E941-H968 IonicContact OE1-CG 3.57Å; E941-H968 IonicContact OE1-ND1 3.87Å; E941-H968 PolarHBondContact OE1-ND1 2.77Å; E941-H968 IonicContact OE2-CE1 3.79Å; E941-H968 PolarHBondContact OE2-CE1 3.37Å; E941-H968 VanDerWaalsContact OE2-CE1 3.23Å; E941-H968 IonicContact OE2-ND1 2.75Å; E941-H968 PolarHBondContact OE2-ND1 2.91Å | ||
| 942 | A | 88.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | T918 L921 L922 Y933 | T918-A942 HydrophobicContact CG2-CB 4.09Å; L921-A942 HydrophobicContact CB-CB 3.85Å; L921-A942 HydrophobicContact CD1-CB 4.16Å; L922-A942 HydrophobicContact CD1-CB 4.49Å; L922-A942 HydrophobicContact CD2-CB 4.06Å; L922-A942 HydrophobicContact CG-CB 3.94Å; Y933-A942 HydrophobicContact CD1-CB 4.21Å |
| 943 | V | 87.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.5 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | Y933 V934 C936 E941 K945 H947 H951 | Y933-V943 CarbonylContact C-O 3.42Å; Y933-V943 WeakPolarHBondContact CA-O 3.3Å; V934-V943 WeakPolarHBondContact CG2-O 3.44Å; V934-V943 PolarHBondContact N-O 3.14Å; V934-V943 PolarHBondContact O-N 3.48Å; C936-V943 HydrophobicContact CB-CG2 3.97Å; E941-V943 PolarHBondContact O-N 2.6Å; V943-K945 PolarHBondContact O-N 3.34Å; V943-H947 HydrophobicContact CG1-CB 4.47Å; V943-H951 HydrophobicContact CG1-CB 4.06Å |
| 944 | L | 88.5 | Confident | 85 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 131.2 | 171.5 | -79.3 | 165.8 | 0 | 0 | 0 | 110.2 | Q932 Y933 T946 H947 L948 | Q932-L944 HydrophobicContact CG-CD2 3.63Å; Q932-L944 WeakPolarHBondContact O-CA 3.42Å; Y933-L944 HydrophobicContact CD1-CD2 4.42Å; Y933-L944 HydrophobicContact CD1-CG 4.33Å; Y933-L944 HydrophobicContact CD2-CD2 4.2Å; Y933-L944 HydrophobicContact CE1-CD2 4.01Å; Y933-L944 HydrophobicContact CE1-CG 3.82Å; Y933-L944 HydrophobicContact CE2-CD2 3.74Å; Y933-L944 HydrophobicContact CE2-CG 4.45Å; L944-T946 PolarHBondContact O-N 3.49Å; L944-T946 VanDerWaalsContact O-N 3.08Å; L944-H947 PolarHBondContact O-N 3.2Å; L944-L948 PolarHBondContact O-N 3.49Å |
| 945 | K | 86.7 | Confident | 84.3 | Confident | 140 Ų | 140 | 75.2 Ų | 75.2 | 61% | 0.609 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.6 | -177.7 | -170.9 | 173.6 | 178.6 | 179.4 | 0 | 112.9 | G931 Q932 V934 V943 H947 | G931-K945 WeakPolarHBondContact O-CD 3.45Å; Q932-K945 PolarHBondContact O-N 3.41Å; V934-K945 HydrophobicContact CG2-CB 3.88Å; V934-K945 HydrophobicContact CG2-CG 4.15Å; V943-K945 PolarHBondContact O-N 3.34Å; K945-H947 VanDerWaalsContact C-N 3.35Å |
| 946 | T | 87.1 | Confident | 83.5 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 65% | 0.65 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.4 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | L944 | L944-T946 PolarHBondContact O-N 3.49Å; L944-T946 VanDerWaalsContact O-N 3.08Å |
| 947 | H | 86 | Confident | 82.6 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -2.3 | -176.3 | -62.6 | 168.9 | 0 | 0 | 0 | 112.9 | V943 L944 K945 S949 S950 H951 | V943-H947 HydrophobicContact CG1-CB 4.47Å; L944-H947 PolarHBondContact O-N 3.2Å; K945-H947 VanDerWaalsContact C-N 3.35Å; H947-S949 PolarHBondContact O-N 3.48Å; H947-S949 VanDerWaalsContact O-N 3.16Å; H947-S950 CarbonylContact O-C 3.52Å; H947-S950 PolarHBondContact O-N 3.34Å; H947-S950 VanDerWaalsContact O-N 3.07Å; H947-S950 PolarHBondContact O-OG 3.35Å; H947-H951 VanDerWaalsContact O-CB 3.27Å; H947-H951 WeakPolarHBondContact O-CB 3.02Å; H947-H951 PolarHBondContact O-N 2.81Å |
| 948 | L | 84.1 | Confident | 81.7 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.5 | -177.9 | -174 | 64.5 | 0 | 0 | 0 | 112.8 | V934 C936 L944 | V934-L948 HydrophobicContact CG2-CD2 4.05Å; C936-L948 HydrophobicContact CB-CD1 4.44Å; L944-L948 PolarHBondContact O-N 3.49Å |
| 949 | S | 82.1 | Confident | 80.8 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 83% | 0.825 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -32.1 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | H947 | H947-S949 PolarHBondContact O-N 3.48Å; H947-S949 VanDerWaalsContact O-N 3.16Å |
| 950 | S | 83.5 | Confident | 79.8 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.1 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | H947 H952 | H947-S950 CarbonylContact O-C 3.52Å; H947-S950 PolarHBondContact O-N 3.34Å; H947-S950 VanDerWaalsContact O-N 3.07Å; H947-S950 PolarHBondContact O-OG 3.35Å; S950-H952 PolarHBondContact O-CE1 2.95Å; S950-H952 PolarHBondContact O-N 3.43Å; S950-H952 PolarHBondContact O-ND1 2.92Å |
| 951 | H | 82.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | trans | -76.2 | 103 | -177.6 | -178.1 | 69.6 | 0 | 0 | 0 | 111.5 | C939 V943 H947 C953 | C939-H951 PolarHBondContact SG-NE2 2.96Å; C939-H951 VanDerWaalsContact SG-NE2 3.44Å; V943-H951 HydrophobicContact CG1-CB 4.06Å; H947-H951 VanDerWaalsContact O-CB 3.27Å; H947-H951 WeakPolarHBondContact O-CB 3.02Å; H947-H951 PolarHBondContact O-N 2.81Å; H951-C953 VanDerWaalsContact NE2-CB 3.33Å; H951-C953 WeakPolarHBondContact NE2-CB 3.43Å | ||
| 952 | H | 80.5 | Confident | 78.8 | Confident | 178 Ų | 178 | 80.7 Ų | 80.7 | 82% | 0.824 | 45% | 0.454 | S | S | * | . | trans | -88.3 | 112.4 | 172.7 | -62.8 | 75.6 | 0 | 0 | 0 | 108.5 | S950 | S950-H952 PolarHBondContact O-CE1 2.95Å; S950-H952 PolarHBondContact O-N 3.43Å; S950-H952 PolarHBondContact O-ND1 2.92Å | ||
| 953 | C | 80.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | trans | -128.7 | 157.4 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | C936 C939 H951 | C936-C953 VanDerWaalsContact SG-SG 3.68Å; C939-C953 HydrophobicContact CB-CB 3.78Å; H951-C953 VanDerWaalsContact NE2-CB 3.33Å; H951-C953 WeakPolarHBondContact NE2-CB 3.43Å | ||
| 954 | L | 78.6 | Confident | 78.6 | Confident | 116 Ų | 116 | 80.2 Ų | 80.2 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -84 | 125.8 | 170.6 | -63.4 | 173.8 | 0 | 0 | 0 | 108.8 | R963 | L954-R963 PolarHBondContact O-NH1 3.27Å; L954-R963 PolarHBondContact O-NH2 2.97Å |
| 955 | P | 75.5 | Confident | 78.5 | Confident | 76 Ų | 76 | 79.1 Ų | 79.1 | 49% | 0.494 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 143.4 | 173.1 | -19.9 | 30.5 | 0 | 0 | 0 | 110.7 | K938 K957 | K938-P955 WeakPolarHBondContact O-CA 3.42Å; P955-K957 PolarHBondContact O-N 2.9Å |
| 956 | I | 72.5 | Confident | 78.5 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.8 | 174.5 | -157.3 | 170.5 | 0 | 0 | 0 | 109.1 | K938 D970 | K938-I956 PolarHBondContact O-N 3.46Å; K938-I956 VanDerWaalsContact O-N 3.16Å; I956-D970 HydrophobicContact CG1-CB 4.49Å |
| 957 | K | 68.6 | Low | 78.5 | Confident | 176 Ų | 176 | 69.5 Ų | 69.5 | 77% | 0.765 | 40% | 0.395 | S | S | * | . | trans | -91.7 | -29 | -177.3 | -67.9 | -177.7 | -178.7 | 176.2 | 0 | 112.2 | P955 D970 | P955-K957 PolarHBondContact O-N 2.9Å; K957-D970 PolarHBondContact N-OD2 3.22Å | ||
| 958 | L | 66.6 | Low | 78.6 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -96.8 | 139.1 | 179.1 | -83.6 | 75.3 | 0 | 0 | 0 | 110.5 | S960 D970 P972 | L958-S960 WeakPolarHBondContact CB-OG 3.43Å; L958-S960 PolarHBondContact O-N 3.15Å; L958-D970 HydrophobicContact CB-CB 4.23Å; L958-D970 HydrophobicContact CD1-CB 4.16Å; L958-P972 HydrophobicContact CD2-CB 3.98Å |
| 959 | S | 63 | Low | 78.5 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 94% | 0.944 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 2 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | G961 | S959-G961 VanDerWaalsContact C-N 3.29Å; S959-G961 PolarHBondContact O-N 3.14Å |
| 960 | S | 64.2 | Low | 78.6 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.8 | -177.1 | 55 | 0 | 0 | 0 | 0 | 113.7 | L958 L962 L971 N973 | L958-S960 WeakPolarHBondContact CB-OG 3.43Å; L958-S960 PolarHBondContact O-N 3.15Å; S960-L962 PolarHBondContact O-N 3.27Å; S960-L971 WeakPolarHBondContact CB-O 3.46Å; S960-L971 PolarHBondContact OG-O 2.76Å; S960-N973 VanDerWaalsContact CB-N 3.33Å |
| 961 | G | 70.7 | Confident | 78.4 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | trans | 68 | -1.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S959 | S959-G961 VanDerWaalsContact C-N 3.29Å; S959-G961 PolarHBondContact O-N 3.14Å | ||
| 962 | L | 77 | Confident | 77.9 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.1 | -179.2 | -63.3 | 175.8 | 0 | 0 | 0 | 109.4 | S960 D970 L971 | S960-L962 PolarHBondContact O-N 3.27Å; L962-D970 WeakPolarHBondContact O-CA 3.47Å; L962-L971 HydrophobicContact CB-CB 4.07Å; L962-L971 PolarHBondContact O-N 3.03Å |
| 963 | R | 84.9 | Confident | 77.1 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131 | 177.3 | -175.5 | 172.2 | 177.2 | 126.2 | -8.6 | 109.8 | C939 E941 L954 P965 H968 H969 D970 | C939-R963 WeakPolarHBondContact O-CD 3.3Å; E941-R963 VanDerWaalsContact OE1-CD 3.32Å; E941-R963 WeakPolarHBondContact OE1-CD 3.24Å; E941-R963 IonicContact OE1-CZ 3.68Å; E941-R963 IonicContact OE1-NE 2.69Å; E941-R963 PolarHBondContact OE1-NE 3.45Å; E941-R963 IonicContact OE1-NH2 3.85Å; L954-R963 PolarHBondContact O-NH1 3.27Å; L954-R963 PolarHBondContact O-NH2 2.97Å; R963-P965 WeakPolarHBondContact O-CD 3.36Å; R963-H968 PolarHBondContact NE-O 2.74Å; R963-H968 PolarHBondContact NH2-O 3.35Å; R963-H969 WeakPolarHBondContact CA-O 3.19Å; R963-D970 WeakPolarHBondContact CD-OD1 3.26Å; R963-D970 IonicContact CZ-OD1 2.73Å; R963-D970 IonicContact NE-OD1 3.19Å; R963-D970 IonicContact NH1-OD1 3.94Å; R963-D970 PolarHBondContact NH1-OD1 3.05Å |
| 964 | C | 87.8 | Confident | 76 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -70 | 120.5 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | L966 H968 H969 W987 H990 | C964-L966 PolarHBondContact O-N 3.21Å; C964-L966 VanDerWaalsContact O-N 3.16Å; C964-H968 WeakPolarHBondContact O-CA 3.46Å; C964-H968 PolarHBondContact O-N 3.14Å; C964-H969 PolarHBondContact N-O 3.47Å; C964-W987 HydrophobicContact CB-CH2 4.43Å; C964-W987 HydrophobicContact CB-CZ3 4.12Å; C964-H990 VanDerWaalsContact CB-NE2 3.3Å; C964-H990 WeakPolarHBondContact CB-NE2 3.37Å; C964-H990 PolarHBondContact SG-NE2 2.86Å | ||
| 965 | P | 86.5 | Confident | 74.8 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9 | -179.2 | 29.6 | -35.4 | 0 | 0 | 0 | 113.2 | I914 L917 R963 | I914-P965 HydrophobicContact CG2-CG 3.93Å; I914-P965 WeakPolarHBondContact O-CG 3.49Å; L917-P965 HydrophobicContact CB-CG 4.23Å; L917-P965 HydrophobicContact CD2-CB 4.4Å; L917-P965 HydrophobicContact CD2-CG 4.16Å; R963-P965 WeakPolarHBondContact O-CD 3.36Å |
| 966 | L | 86.6 | Confident | 73.5 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -56.4 | 178.5 | -56.4 | -177.2 | 0 | 0 | 0 | 111.9 | I914 C964 E1006 N1007 | I914-L966 HydrophobicContact CD1-CD1 3.63Å; I914-L966 HydrophobicContact CG1-CD1 4.07Å; I914-L966 HydrophobicContact CG2-CD1 4.07Å; I914-L966 HydrophobicContact CG2-CG 4.09Å; C964-L966 PolarHBondContact O-N 3.21Å; C964-L966 VanDerWaalsContact O-N 3.16Å; L966-E1006 HydrophobicContact CB-CB 4.15Å; L966-E1006 WeakPolarHBondContact O-CB 3.23Å; L966-N1007 HydrophobicContact CD1-CB 4.24Å |
| 967 | C | 87.6 | Confident | 72.3 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.8 | -176.6 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | H969 H990 E1006 | C967-H969 PolarHBondContact O-N 3.31Å; C967-H969 VanDerWaalsContact O-N 3.07Å; C967-H990 PolarHBondContact SG-CE1 2.79Å; C967-H990 PolarHBondContact SG-NE2 2.93Å; C967-E1006 HydrophobicContact CB-CB 4.09Å; C967-E1006 HydrophobicContact CB-CG 3.94Å |
| 968 | H | 86.1 | Confident | 71.4 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | trans | 59.4 | 18.9 | 178 | -53.3 | -69.8 | 0 | 0 | 0 | 114.9 | E941 R963 C964 | E941-H968 IonicContact OE1-CE1 2.68Å; E941-H968 IonicContact OE1-CG 3.57Å; E941-H968 IonicContact OE1-ND1 3.87Å; E941-H968 PolarHBondContact OE1-ND1 2.77Å; E941-H968 IonicContact OE2-CE1 3.79Å; E941-H968 PolarHBondContact OE2-CE1 3.37Å; E941-H968 VanDerWaalsContact OE2-CE1 3.23Å; E941-H968 IonicContact OE2-ND1 2.75Å; E941-H968 PolarHBondContact OE2-ND1 2.91Å; R963-H968 PolarHBondContact NE-O 2.74Å; R963-H968 PolarHBondContact NH2-O 3.35Å; C964-H968 WeakPolarHBondContact O-CA 3.46Å; C964-H968 PolarHBondContact O-N 3.14Å | ||
| 969 | H | 83.4 | Confident | 70.2 | Confident | 104 Ų | 104 | 57.2 Ų | 57.2 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 140.6 | 173.3 | -102.4 | 71.1 | 0 | 0 | 0 | 111.5 | R963 C964 C967 | R963-H969 WeakPolarHBondContact CA-O 3.19Å; C964-H969 PolarHBondContact N-O 3.47Å; C967-H969 PolarHBondContact O-N 3.31Å; C967-H969 VanDerWaalsContact O-N 3.07Å |
| 970 | D | 83.3 | Confident | 69.1 | Low | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.9 | 173.9 | -55.2 | -25.4 | 0 | 0 | 0 | 109 | I956 K957 L958 L962 R963 | I956-D970 HydrophobicContact CG1-CB 4.49Å; K957-D970 PolarHBondContact N-OD2 3.22Å; L958-D970 HydrophobicContact CB-CB 4.23Å; L958-D970 HydrophobicContact CD1-CB 4.16Å; L962-D970 WeakPolarHBondContact O-CA 3.47Å; R963-D970 WeakPolarHBondContact CD-OD1 3.26Å; R963-D970 IonicContact CZ-OD1 2.73Å; R963-D970 IonicContact NE-OD1 3.19Å; R963-D970 IonicContact NH1-OD1 3.94Å; R963-D970 PolarHBondContact NH1-OD1 3.05Å |
| 971 | L | 79.9 | Confident | 68.3 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.9 | -178.8 | -60.3 | 177.3 | 0 | 0 | 0 | 110 | S960 L962 V986 W987 H990 | S960-L971 WeakPolarHBondContact CB-O 3.46Å; S960-L971 PolarHBondContact OG-O 2.76Å; L962-L971 HydrophobicContact CB-CB 4.07Å; L962-L971 PolarHBondContact O-N 3.03Å; L971-V986 HydrophobicContact CB-CG1 4Å; L971-W987 HydrophobicContact CD1-CD2 3.83Å; L971-W987 HydrophobicContact CD1-CE3 3.8Å; L971-W987 HydrophobicContact CD1-CH2 4.05Å; L971-W987 HydrophobicContact CD1-CZ2 4.05Å; L971-W987 HydrophobicContact CD1-CZ3 3.91Å; L971-H990 HydrophobicContact CD1-CB 4.47Å; L971-H990 HydrophobicContact CD2-CB 3.84Å |
| 972 | P | 72.3 | Confident | 67.6 | Low | 36 Ų | 36 | 57.7 Ų | 57.7 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 138.2 | 178.5 | 29 | -34.2 | 0 | 0 | 0 | 111.2 | L958 L974 M1001 | L958-P972 HydrophobicContact CD2-CB 3.98Å; P972-L974 PolarHBondContact O-N 3.22Å; P972-M1001 VanDerWaalsContact CD-SD 3.54Å; P972-M1001 HydrophobicContact CG-CE 3.64Å; P972-M1001 HydrophobicContact CG-SD 3.67Å |
| 973 | N | 62.9 | Low | 67.2 | Low | 101 Ų | 101 | 57.7 Ų | 57.7 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | trans | -82.5 | 109.2 | 168.4 | -148.3 | 3.3 | 0 | 0 | 0 | 106.4 | S960 | S960-N973 VanDerWaalsContact CB-N 3.33Š| ||
| 974 | L | 57.9 | Low | 66.6 | Low | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | trans | -74.8 | 129.4 | 174 | -79.3 | 165.2 | 0 | 0 | 0 | 108.4 | P972 D976 A979 V986 I999 | P972-L974 PolarHBondContact O-N 3.22Å; L974-D976 PolarHBondContact O-N 3.46Å; L974-A979 HydrophobicContact CD1-CB 4.32Å; L974-V986 HydrophobicContact CD1-CG2 3.94Å; L974-V986 HydrophobicContact CG-CG2 4.38Å; L974-I999 HydrophobicContact CD1-CD1 3.62Å; L974-I999 HydrophobicContact CD2-CD1 3.29Å; L974-I999 HydrophobicContact CG-CD1 4.05Å | ||
| 975 | P | 53 | Low | 65.9 | Low | 83 Ų | 83 | 61.4 Ų | 61.4 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | trans | -59.1 | 139.7 | 172 | 23.2 | -29.7 | 0 | 0 | 0 | 109.1 | S977 V978 | P975-S977 PolarHBondContact O-N 2.79Å; P975-V978 PolarHBondContact O-N 3.16Å | ||
| 976 | D | 49.6 | Very low | 65.6 | Low | 158 Ų | 158 | 60.4 Ų | 60.4 | 85% | 0.845 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 0.3 | -171.3 | -59.6 | -47.1 | 0 | 0 | 0 | 116.2 | L974 | L974-D976 PolarHBondContact O-N 3.46Š|
| 977 | S | 46.7 | Very low | 65.5 | Low | 104 Ų | 104 | 60.1 Ų | 60.1 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -4.4 | -172.9 | 49.3 | 0 | 0 | 0 | 0 | 115.6 | P975 | P975-S977 PolarHBondContact O-N 2.79Š|
| 978 | V | 50.1 | Low | 65.4 | Low | 105 Ų | 105 | 62.2 Ų | 62.2 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -124 | -14.5 | -169.6 | -170.8 | 0 | 0 | 0 | 0 | 115 | P975 | P975-V978 PolarHBondContact O-N 3.16Š|
| 979 | A | 40.1 | Very low | 65.2 | Low | 28 Ų | 28 | 58.5 Ų | 58.5 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | trans | -129.1 | 121.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L974 G981 | L974-A979 HydrophobicContact CD1-CB 4.32Å; A979-G981 VanDerWaalsContact C-N 3.28Å; A979-G981 PolarHBondContact O-N 3.39Å | ||
| 980 | P | 40.2 | Very low | 65.4 | Low | 136 Ų | 136 | 53.6 Ų | 53.6 | 88% | 0.883 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 78.3 | 176.7 | 31.4 | -32.1 | 0 | 0 | 0 | 110.5 | ||
| 981 | G | 47.5 | Very low | 65.6 | Low | 39 Ų | 39 | 52.6 Ų | 52.6 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 162.4 | 16.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | A979 D985 | A979-G981 VanDerWaalsContact C-N 3.28Å; A979-G981 PolarHBondContact O-N 3.39Å; G981-D985 WeakPolarHBondContact CA-OD2 3.43Å; G981-D985 PolarHBondContact N-OD2 3.38Å |
| 982 | G | 56.9 | Low | 65.7 | Low | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | 64 | -163.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E984 D985 | G982-E984 PolarHBondContact O-N 3.03Å; G982-E984 VanDerWaalsContact O-N 3.15Å; G982-D985 PolarHBondContact O-N 2.83Å |
| 983 | P | 67.9 | Low | 65.8 | Low | 42 Ų | 42 | 54.5 Ų | 54.5 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -18 | -177.9 | 23 | -31.4 | 0 | 0 | 0 | 113.6 | V714 D985 V986 W987 | V714-P983 HydrophobicContact CG1-CG 4.27Å; P983-D985 VanDerWaalsContact C-N 3.31Å; P983-D985 PolarHBondContact O-N 3.12Å; P983-V986 PolarHBondContact O-N 2.93Å; P983-W987 VanDerWaalsContact O-CD1 3.25Å; P983-W987 PolarHBondContact O-N 3.34Å |
| 984 | E | 72.3 | Confident | 65.7 | Low | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 176.4 | -68 | -165 | 179.3 | 0 | 0 | 112.1 | R723 G982 V986 W987 K988 | R723-E984 IonicContact CZ-OE1 3.93Å; R723-E984 IonicContact NH2-OE1 3.76Å; R723-E984 PolarHBondContact NH2-OE1 3.11Å; R723-E984 IonicContact NH2-OE2 2.71Å; G982-E984 PolarHBondContact O-N 3.03Å; G982-E984 VanDerWaalsContact O-N 3.15Å; E984-V986 VanDerWaalsContact C-N 3.33Å; E984-V986 PolarHBondContact O-N 3.39Å; E984-W987 PolarHBondContact O-N 3.11Å; E984-K988 WeakPolarHBondContact O-CB 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.49Å; E984-K988 PolarHBondContact O-N 3.47Å |
| 985 | D | 72.7 | Confident | 65.4 | Low | 52 Ų | 52 | 56.1 Ų | 56.1 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 178.9 | -75.8 | -14.4 | 0 | 0 | 0 | 112.5 | G981 G982 P983 W987 K988 A989 | G981-D985 WeakPolarHBondContact CA-OD2 3.43Å; G981-D985 PolarHBondContact N-OD2 3.38Å; G982-D985 PolarHBondContact O-N 2.83Å; P983-D985 VanDerWaalsContact C-N 3.31Å; P983-D985 PolarHBondContact O-N 3.12Å; D985-W987 VanDerWaalsContact C-N 3.34Å; D985-K988 PolarHBondContact O-N 3.31Å; D985-A989 VanDerWaalsContact O-CB 3.3Å; D985-A989 WeakPolarHBondContact O-CB 3.26Å; D985-A989 PolarHBondContact O-N 3.16Å |
| 986 | V | 80.3 | Confident | 65.2 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 110 | L971 L974 P983 E984 H990 M1001 | L971-V986 HydrophobicContact CB-CG1 4Å; L974-V986 HydrophobicContact CD1-CG2 3.94Å; L974-V986 HydrophobicContact CG-CG2 4.38Å; P983-V986 PolarHBondContact O-N 2.93Å; E984-V986 VanDerWaalsContact C-N 3.33Å; E984-V986 PolarHBondContact O-N 3.39Å; V986-H990 WeakPolarHBondContact O-CB 3.47Å; V986-H990 PolarHBondContact O-N 2.81Å; V986-M1001 HydrophobicContact CG1-CE 4.16Å; V986-M1001 HydrophobicContact CG1-SD 4.3Å |
| 987 | W | 85.3 | Confident | 65.1 | Low | 18 Ų | 18 | 54.6 Ų | 54.6 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 174.6 | -77.3 | 104.5 | 0 | 0 | 0 | 112.2 | I914 A915 C964 L971 P983 E984 D985 H990 L991 | I914-W987 HydrophobicContact CG2-CE3 4.48Å; I914-W987 HydrophobicContact CG2-CZ3 3.87Å; A915-W987 HydrophobicContact CB-CD2 3.8Å; A915-W987 HydrophobicContact CB-CE3 4.42Å; A915-W987 HydrophobicContact CB-CG 4.06Å; A915-W987 HydrophobicContact CB-CH2 4.49Å; A915-W987 HydrophobicContact CB-CZ2 3.91Å; C964-W987 HydrophobicContact CB-CH2 4.43Å; C964-W987 HydrophobicContact CB-CZ3 4.12Å; L971-W987 HydrophobicContact CD1-CD2 3.83Å; L971-W987 HydrophobicContact CD1-CE3 3.8Å; L971-W987 HydrophobicContact CD1-CH2 4.05Å; L971-W987 HydrophobicContact CD1-CZ2 4.05Å; L971-W987 HydrophobicContact CD1-CZ3 3.91Å; P983-W987 VanDerWaalsContact O-CD1 3.25Å; P983-W987 PolarHBondContact O-N 3.34Å; E984-W987 PolarHBondContact O-N 3.11Å; D985-W987 VanDerWaalsContact C-N 3.34Å; W987-H990 PolarHBondContact O-N 2.73Å; W987-L991 HydrophobicContact CB-CD1 4.47Å; W987-L991 HydrophobicContact CE3-CD1 3.99Å; W987-L991 HydrophobicContact CE3-CG 4.33Å; W987-L991 VanDerWaalsContact O-CB 3.26Å; W987-L991 WeakPolarHBondContact O-CB 3.38Å; W987-L991 WeakPolarHBondContact O-CG 3.22Å; W987-L991 PolarHBondContact O-N 3.3Å |
| 988 | K | 84.3 | Confident | 65.5 | Low | 63 Ų | 63 | 57.1 Ų | 57.1 | 27% | 0.274 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 175.8 | -79.3 | 175.6 | -177.7 | 171.7 | 0 | 111.2 | F878 M901 E984 D985 H990 L991 L992 | F878-K988 WeakPolarHBondContact O-CE 3.3Å; M901-K988 HydrophobicContact CE-CG 3.55Å; M901-K988 HydrophobicContact SD-CD 4.32Å; M901-K988 HydrophobicContact SD-CG 3.51Å; M901-K988 VanDerWaalsContact SD-CG 3.51Å; E984-K988 WeakPolarHBondContact O-CB 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.49Å; E984-K988 PolarHBondContact O-N 3.47Å; D985-K988 PolarHBondContact O-N 3.31Å; K988-H990 PolarHBondContact O-N 2.62Å; K988-L991 PolarHBondContact O-N 2.89Å; K988-L992 HydrophobicContact CB-CD1 4.1Å; K988-L992 HydrophobicContact CG-CD1 4.17Å; K988-L992 WeakPolarHBondContact O-CA 3.16Å; K988-L992 WeakPolarHBondContact O-CB 3.21Å; K988-L992 WeakPolarHBondContact O-CG 3.36Å; K988-L992 PolarHBondContact O-N 3Å |
| 989 | A | 82.8 | Confident | 65.9 | Low | 10 Ų | 10 | 55.1 Ų | 55.1 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D985 G993 M1001 | D985-A989 VanDerWaalsContact O-CB 3.3Å; D985-A989 WeakPolarHBondContact O-CB 3.26Å; D985-A989 PolarHBondContact O-N 3.16Å; A989-G993 WeakPolarHBondContact O-CA 3.43Å; A989-G993 PolarHBondContact O-N 3.07Å; A989-G993 VanDerWaalsContact O-N 3.13Å; A989-M1001 HydrophobicContact CB-CB 4.28Å; A989-M1001 HydrophobicContact CB-CG 4.25Å |
| 990 | H | 87.7 | Confident | 66.8 | Low | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.9 | 177.9 | 62.5 | 0 | 0 | 0 | 113.4 | C964 C967 L971 V986 W987 K988 M1001 P1002 C1004 | C964-H990 VanDerWaalsContact CB-NE2 3.3Å; C964-H990 WeakPolarHBondContact CB-NE2 3.37Å; C964-H990 PolarHBondContact SG-NE2 2.86Å; C967-H990 PolarHBondContact SG-CE1 2.79Å; C967-H990 PolarHBondContact SG-NE2 2.93Å; L971-H990 HydrophobicContact CD1-CB 4.47Å; L971-H990 HydrophobicContact CD2-CB 3.84Å; V986-H990 WeakPolarHBondContact O-CB 3.47Å; V986-H990 PolarHBondContact O-N 2.81Å; W987-H990 PolarHBondContact O-N 2.73Å; K988-H990 PolarHBondContact O-N 2.62Å; H990-M1001 HydrophobicContact CB-CG 4.35Å; H990-P1002 PolarHBondContact ND1-O 3.4Å; H990-C1004 WeakPolarHBondContact NE2-CB 3.38Å; H990-C1004 PolarHBondContact O-N 2.99Å |
| 991 | L | 87.4 | Confident | 68.2 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -88.3 | -36.2 | -171.9 | -64.7 | 173.3 | 0 | 0 | 0 | 113.8 | I914 W987 K988 C1004 S1010 | I914-L991 HydrophobicContact CB-CD1 4.06Å; I914-L991 HydrophobicContact CD1-CD1 3.91Å; I914-L991 HydrophobicContact CD1-CD2 3.8Å; I914-L991 HydrophobicContact CD1-CG 4.47Å; I914-L991 HydrophobicContact CG2-CD1 4.43Å; I914-L991 HydrophobicContact CG2-CD2 4.28Å; W987-L991 HydrophobicContact CB-CD1 4.47Å; W987-L991 HydrophobicContact CE3-CD1 3.99Å; W987-L991 HydrophobicContact CE3-CG 4.33Å; W987-L991 VanDerWaalsContact O-CB 3.26Å; W987-L991 WeakPolarHBondContact O-CB 3.38Å; W987-L991 WeakPolarHBondContact O-CG 3.22Å; W987-L991 PolarHBondContact O-N 3.3Å; K988-L991 PolarHBondContact O-N 2.89Å; L991-C1004 HydrophobicContact CD2-CB 4.05Å; L991-S1010 PolarHBondContact O-OG 2.99Å; L991-S1010 VanDerWaalsContact O-OG 3.14Å |
| 992 | L | 81.9 | Confident | 69.4 | Low | 42 Ų | 42 | 59.3 Ų | 59.3 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -91.3 | -19.3 | -178.7 | -57.7 | 172.2 | 0 | 0 | 0 | 112.7 | C879 P900 M901 K988 S994 | C879-L992 HydrophobicContact CB-CD2 3.86Å; P900-L992 HydrophobicContact CB-CD2 3.88Å; P900-L992 HydrophobicContact CG-CD2 4.04Å; M901-L992 HydrophobicContact CG-CD2 4.3Å; M901-L992 HydrophobicContact SD-CD1 4.48Å; K988-L992 HydrophobicContact CB-CD1 4.1Å; K988-L992 HydrophobicContact CG-CD1 4.17Å; K988-L992 WeakPolarHBondContact O-CA 3.16Å; K988-L992 WeakPolarHBondContact O-CB 3.21Å; K988-L992 WeakPolarHBondContact O-CG 3.36Å; K988-L992 PolarHBondContact O-N 3Å; L992-S994 PolarHBondContact O-N 3.01Å |
| 993 | G | 74.9 | Confident | 70.4 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | trans | 66.6 | 19.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A989 S995 | A989-G993 WeakPolarHBondContact O-CA 3.43Å; A989-G993 PolarHBondContact O-N 3.07Å; A989-G993 VanDerWaalsContact O-N 3.13Å; G993-S995 PolarHBondContact O-N 3.1Å | ||
| 994 | S | 60.9 | Low | 71.2 | Confident | 66 Ų | 66 | 60 Ų | 60 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | trans | -82.2 | 108.4 | 178.9 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | L992 N996 | L992-S994 PolarHBondContact O-N 3.01Å; S994-N996 PolarHBondContact O-N 3.24Å | ||
| 995 | S | 50.3 | Low | 71.7 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 77% | 0.769 | 36% | 0.358 | S | S | * | . | trans | -79.1 | 50.8 | -175.7 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | G993 | G993-S995 PolarHBondContact O-N 3.1Š| ||
| 996 | N | 49.5 | Very low | 72.3 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 84% | 0.84 | 37% | 0.37 | S | S | * | . | trans | -94.6 | 10.8 | -177.7 | -73.1 | 9.6 | 0 | 0 | 0 | 114.1 | S994 | S994-N996 PolarHBondContact O-N 3.24Š| ||
| 997 | S | 48.3 | Very low | 72.5 | Confident | 52 Ų | 52 | 65 Ų | 65 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -132.8 | 140.5 | 176.4 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | I999 | S997-I999 PolarHBondContact O-N 3.44Š|
| 998 | T | 54.8 | Low | 72.2 | Confident | 156 Ų | 156 | 67 Ų | 67 | 96% | 0.957 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -58.4 | 10.9 | -173.8 | -45.3 | 0 | 0 | 0 | 0 | 115 | ||
| 999 | I | 57.6 | Low | 72.1 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 33% | 0.328 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -117.9 | 119.2 | -173.1 | -62.3 | 151.7 | 0 | 0 | 0 | 107.4 | L974 S997 M1001 | L974-I999 HydrophobicContact CD1-CD1 3.62Å; L974-I999 HydrophobicContact CD2-CD1 3.29Å; L974-I999 HydrophobicContact CG-CD1 4.05Å; S997-I999 PolarHBondContact O-N 3.44Å; I999-M1001 VanDerWaalsContact C-N 3.33Å; I999-M1001 HydrophobicContact CG2-CE 3.89Å; I999-M1001 PolarHBondContact O-N 2.68Å |
| 1000 | Q | 58.6 | Low | 71.7 | Confident | 202 Ų | 202 | 64.6 Ų | 64.6 | 94% | 0.944 | 37% | 0.372 | S | S | * | . | trans | -60 | 96.1 | 169.7 | -83.9 | 176.2 | -5.1 | 0 | 0 | 109.1 | ||||
| 1001 | M | 69.8 | Low | 70.7 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 16% | 0.158 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -92 | 127.4 | 175.6 | -158.5 | 62.4 | 61.8 | 0 | 0 | 108.8 | P972 V986 A989 H990 I999 Q1003 | P972-M1001 VanDerWaalsContact CD-SD 3.54Å; P972-M1001 HydrophobicContact CG-CE 3.64Å; P972-M1001 HydrophobicContact CG-SD 3.67Å; V986-M1001 HydrophobicContact CG1-CE 4.16Å; V986-M1001 HydrophobicContact CG1-SD 4.3Å; A989-M1001 HydrophobicContact CB-CB 4.28Å; A989-M1001 HydrophobicContact CB-CG 4.25Å; H990-M1001 HydrophobicContact CB-CG 4.35Å; I999-M1001 VanDerWaalsContact C-N 3.33Å; I999-M1001 HydrophobicContact CG2-CE 3.89Å; I999-M1001 PolarHBondContact O-N 2.68Å; M1001-Q1003 PolarHBondContact O-N 3.45Å |
| 1002 | P | 72.8 | Confident | 69.6 | Low | 56 Ų | 56 | 73.1 Ų | 73.1 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 131 | 174.7 | 25 | -31.5 | 0 | 0 | 0 | 109.4 | H990 | H990-P1002 PolarHBondContact ND1-O 3.4Š|
| 1003 | Q | 79.7 | Confident | 68.6 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 40% | 0.402 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 141 | 175.6 | -175 | 175.7 | 7.3 | 0 | 0 | 110.6 | M1001 T1005 | M1001-Q1003 PolarHBondContact O-N 3.45Å; Q1003-T1005 PolarHBondContact O-N 3.45Å; Q1003-T1005 VanDerWaalsContact O-N 3.12Å |
| 1004 | C | 84.5 | Confident | 67.7 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.027 | 42% | 0.415 | C | S | . | . | trans | -67.4 | 107.9 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | H990 L991 E1006 N1007 | H990-C1004 WeakPolarHBondContact NE2-CB 3.38Å; H990-C1004 PolarHBondContact O-N 2.99Å; L991-C1004 HydrophobicContact CD2-CB 4.05Å; C1004-E1006 VanDerWaalsContact C-N 3.33Å; C1004-N1007 HydrophobicContact CB-CB 4.16Å | ||
| 1005 | T | 82.9 | Confident | 67.4 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -28.4 | 176.2 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | Q1003 N1007 | Q1003-T1005 PolarHBondContact O-N 3.45Å; Q1003-T1005 VanDerWaalsContact O-N 3.12Å; T1005-N1007 VanDerWaalsContact C-N 3.35Å; T1005-N1007 PolarHBondContact O-N 3.36Å |
| 1006 | E | 83.8 | Confident | 67.5 | Low | 114 Ų | 114 | 80.6 Ų | 80.6 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 18.7 | -174.9 | -56.3 | -51.2 | 128 | 0 | 0 | 113.5 | L966 C967 C1004 P1008 | L966-E1006 HydrophobicContact CB-CB 4.15Å; L966-E1006 WeakPolarHBondContact O-CB 3.23Å; C967-E1006 HydrophobicContact CB-CB 4.09Å; C967-E1006 HydrophobicContact CB-CG 3.94Å; C1004-E1006 VanDerWaalsContact C-N 3.33Å; E1006-P1008 WeakPolarHBondContact O-CD 3.19Å |
| 1007 | N | 84.7 | Confident | 67.4 | Low | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | trans | -91.3 | 101.8 | 176.4 | -173.5 | -9.1 | 0 | 0 | 0 | 110.7 | P900 L966 C1004 T1005 R1009 S1010 L1011 | P900-N1007 PolarHBondContact O-ND2 3.04Å; L966-N1007 HydrophobicContact CD1-CB 4.24Å; C1004-N1007 HydrophobicContact CB-CB 4.16Å; T1005-N1007 VanDerWaalsContact C-N 3.35Å; T1005-N1007 PolarHBondContact O-N 3.36Å; N1007-R1009 PolarHBondContact O-N 3.25Å; N1007-R1009 VanDerWaalsContact O-N 3.14Å; N1007-R1009 PolarHBondContact OD1-N 2.91Å; N1007-S1010 PolarHBondContact O-N 2.95Å; N1007-L1011 PolarHBondContact O-N 3.32Å | ||
| 1008 | P | 79.7 | Confident | 67.2 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -28.4 | -174.1 | 25.6 | -35 | 0 | 0 | 0 | 112.9 | E1006 Q1012 | E1006-P1008 WeakPolarHBondContact O-CD 3.19Å; P1008-Q1012 WeakPolarHBondContact O-CG 3.02Å; P1008-Q1012 PolarHBondContact O-N 3.27Å |
| 1009 | R | 81.4 | Confident | 66.5 | Low | 17 Ų | 17 | 88.5 Ų | 88.5 | 6% | 0.064 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -82 | -31.1 | -178 | -67.5 | -176.4 | -177.7 | -162.7 | -2.5 | 112.9 | Y895 W896 K897 C899 L902 N1007 N1013 | Y895-R1009 PolarHBondContact O-NH1 3.39Å; W896-R1009 PolarHBondContact O-NH2 3.07Å; K897-R1009 PolarHBondContact O-NE 3.24Å; C899-R1009 WeakPolarHBondContact O-CD 3.31Å; C899-R1009 PolarHBondContact O-NH1 3.33Å; L902-R1009 VanDerWaalsContact O-CD 3.31Å; L902-R1009 WeakPolarHBondContact O-CD 3.39Å; L902-R1009 PolarHBondContact O-NE 3.42Å; L902-R1009 PolarHBondContact O-NH1 3.29Å; N1007-R1009 PolarHBondContact O-N 3.25Å; N1007-R1009 VanDerWaalsContact O-N 3.14Å; N1007-R1009 PolarHBondContact OD1-N 2.91Å; R1009-N1013 PolarHBondContact O-N 2.83Å |
| 1010 | S | 74.9 | Confident | 65.5 | Low | 7 Ų | 7 | 88.1 Ų | 88.1 | 5% | 0.049 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 173.6 | -162.9 | 0 | 0 | 0 | 0 | 111.4 | L991 N1007 Q1012 N1013 Q1014 | L991-S1010 PolarHBondContact O-OG 2.99Å; L991-S1010 VanDerWaalsContact O-OG 3.14Å; N1007-S1010 PolarHBondContact O-N 2.95Å; S1010-Q1012 PolarHBondContact O-N 3.45Å; S1010-N1013 PolarHBondContact O-N 3.21Å; S1010-Q1014 PolarHBondContact O-N 2.93Å |
| 1011 | L | 67.3 | Low | 64.3 | Low | 79 Ų | 79 | 87.4 Ų | 87.4 | 41% | 0.414 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.3 | -70 | 167.7 | 0 | 0 | 0 | 112.7 | N1007 Q1014 Q1015 | N1007-L1011 PolarHBondContact O-N 3.32Å; L1011-Q1014 PolarHBondContact O-N 2.56Å; L1011-Q1015 PolarHBondContact O-N 3.44Å |
| 1012 | Q | 63.5 | Low | 62.6 | Low | 102 Ų | 102 | 91 Ų | 91 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.1 | -78.5 | 177 | -0.5 | 0 | 0 | 112.3 | P1008 S1010 Q1014 Q1015 Q1016 | P1008-Q1012 WeakPolarHBondContact O-CG 3.02Å; P1008-Q1012 PolarHBondContact O-N 3.27Å; S1010-Q1012 PolarHBondContact O-N 3.45Å; Q1012-Q1014 PolarHBondContact O-N 2.89Å; Q1012-Q1015 PolarHBondContact O-N 3Å; Q1012-Q1016 PolarHBondContact O-N 3.43Å |
| 1013 | N | 60 | Low | 60.7 | Low | 36 Ų | 36 | 94.9 Ų | 94.9 | 19% | 0.193 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -69 | -31.5 | 177.9 | -85.1 | 2.2 | 0 | 0 | 0 | 113.1 | R1009 S1010 K1017 | R1009-N1013 PolarHBondContact O-N 2.83Å; S1010-N1013 PolarHBondContact O-N 3.21Å; N1013-K1017 PolarHBondContact O-N 2.9Å |
| 1014 | Q | 56.9 | Low | 58.4 | Low | 85 Ų | 85 | 100.4 Ų | 100.4 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 175 | -71.1 | -179.8 | 24.7 | 0 | 0 | 112.5 | S1010 L1011 Q1012 Q1016 | S1010-Q1014 PolarHBondContact O-N 2.93Å; L1011-Q1014 PolarHBondContact O-N 2.56Å; Q1012-Q1014 PolarHBondContact O-N 2.89Å; Q1014-Q1016 VanDerWaalsContact C-N 3.32Å; Q1014-Q1016 PolarHBondContact O-N 3.34Å |
| 1015 | Q | 55 | Low | 56.1 | Low | 142 Ų | 142 | 107.4 Ų | 107.4 | 66% | 0.664 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.8 | -31.3 | 177.9 | -70.5 | 178.1 | 20.9 | 0 | 0 | 112.8 | L1011 Q1012 | L1011-Q1015 PolarHBondContact O-N 3.44Å; Q1012-Q1015 PolarHBondContact O-N 3Å |
| 1016 | Q | 51.9 | Low | 54 | Low | 147 Ų | 147 | 108.8 Ų | 108.8 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.9 | -35.1 | 178.7 | -68.7 | -178.4 | 11.9 | 0 | 0 | 113 | Q1012 Q1014 Y1018 | Q1012-Q1016 PolarHBondContact O-N 3.43Å; Q1014-Q1016 VanDerWaalsContact C-N 3.32Å; Q1014-Q1016 PolarHBondContact O-N 3.34Å; Q1016-Y1018 PolarHBondContact O-N 3.27Å |
| 1017 | K | 47.4 | Very low | 51.7 | Low | 173 Ų | 173 | 108.4 Ų | 108.4 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.4 | -27.8 | 179.6 | -79.2 | -175.3 | 176.7 | 179.7 | 0 | 114.2 | N1013 N1019 | N1013-K1017 PolarHBondContact O-N 2.9Å; K1017-N1019 VanDerWaalsContact C-N 3.33Å; K1017-N1019 PolarHBondContact O-N 3.49Å |
| 1018 | Y | 43.9 | Very low | 49.3 | Very low | 206 Ų | 206 | 115.9 Ų | 115.9 | 81% | 0.808 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -14.8 | -179.5 | -94.1 | -84.8 | 0 | 0 | 0 | 114.8 | Q1016 | Q1016-Y1018 PolarHBondContact O-N 3.27Š|
| 1019 | N | 40.7 | Very low | 47.2 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 81% | 0.807 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -1 | -178.3 | -75.6 | -16.9 | 0 | 0 | 0 | 114.6 | K1017 | K1017-N1019 VanDerWaalsContact C-N 3.33Å; K1017-N1019 PolarHBondContact O-N 3.49Å |
| 1020 | G | 36.6 | Very low | 44.9 | Very low | 57 Ų | 57 | 126.4 Ų | 126.4 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -106 | -0.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1021 | H | 33.5 | Very low | 43.1 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | trans | -130.2 | 84 | -176.2 | -85.1 | 16.1 | 0 | 0 | 0 | 112 | ||||
| 1022 | S | 33.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | -151.6 | 123.7 | 157.6 | -158.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1023 | T | 33.4 | Very low | 40.2 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | 86.7 | 94.1 | 167.5 | 71.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1024 | K | 32 | Very low | 39.1 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -100.7 | 132 | 145.3 | -92.7 | -178.8 | 176.1 | 175.9 | 0 | 107.3 | ||||
| 1025 | N | 36 | Very low | 38 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -166.6 | 128.7 | 140.8 | -98.8 | -12.5 | 0 | 0 | 0 | 112.4 | ||||
| 1026 | T | 37.1 | Very low | 37 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 79 | 115.8 | 144.5 | 56.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1027 | S | 37 | Very low | 36.2 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 83.8 | 111.7 | 129.1 | 61.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1028 | N | 33.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 34 | 118.4 | 130.2 | -66 | -1.6 | 0 | 0 | 0 | 119.7 | ||||
| 1029 | S | 35.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | 173.6 | 143.5 | 110.9 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1030 | E | 32.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -64.1 | 166.2 | -174.4 | -62.5 | 164.6 | 134.9 | 0 | 0 | 115.4 | ||||
| 1031 | T | 37 | Very low | 35.1 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | trans | 110.1 | 124.3 | 147 | 70.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1032 | N | 36.8 | Very low | 35.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | 82.5 | 103.5 | 140.7 | -66.4 | -25.5 | 0 | 0 | 0 | 121.8 | ||||
| 1033 | K | 34.4 | Very low | 35.5 | Very low | 188 Ų | 188 | 146 Ų | 146 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | 23.7 | 119.9 | 128.3 | -68.3 | 179.2 | 174.3 | 174.2 | 0 | 117.6 | |||||
| 1034 | T | 36.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | 156.4 | 133.3 | 106.2 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1035 | K | 34.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | 30.4 | 129 | 148.7 | -79.3 | 178.9 | 173.7 | 177.4 | 0 | 122.3 | ||||
| 1036 | S | 34.1 | Very low | 36.5 | Very low | 126 Ų | 126 | 143 Ų | 143 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | 84.8 | 136.2 | 134.7 | 75 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1037 | G | 34.7 | Very low | 36.8 | Very low | 75 Ų | 75 | 143.5 Ų | 143.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 125.7 | 102.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1038 | I | 33.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -56.5 | 150.7 | 169.4 | -60 | 156 | 0 | 0 | 0 | 111.9 | ||||
| 1039 | P | 37.2 | Very low | 37.3 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -122.4 | 137 | 151.6 | 32.3 | -17.7 | 0 | 0 | 0 | 113.4 | ||||
| 1040 | R | 33.4 | Very low | 37.7 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -103.6 | 146.5 | 168.5 | -152.2 | -175.6 | -162.4 | -148.8 | 4.9 | 107.6 | ||||
| 1041 | P | 40.2 | Very low | 38 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 139.2 | 159.4 | 33 | -21.5 | 0 | 0 | 0 | 112.1 | ||||
| 1042 | S | 36.8 | Very low | 38 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -103.8 | 148.3 | 175.1 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1043 | N | 39.6 | Very low | 38.1 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | 139.3 | 143.8 | 144.9 | -81.9 | -13.2 | 0 | 0 | 0 | 111.5 | ||||
| 1044 | V | 40.7 | Very low | 38.3 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 63% | 0.63 | 84% | 0.835 | S | S | * | * | cis | -174.1 | 149.4 | -5.4 | 132.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1045 | N | 42 | Very low | 38.4 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | 118.9 | 103.4 | 150.3 | -79.5 | -28.7 | 0 | 0 | 0 | 118.8 | ||||
| 1046 | K | 39.9 | Very low | 38.7 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | 30.6 | 131 | 124.4 | -68 | 172.3 | 174.8 | 171.7 | 0 | 116.3 | |||||
| 1047 | V | 42.3 | Very low | 39 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | -162.1 | 132.3 | 66.1 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1048 | R | 39.5 | Very low | 39.4 | Very low | 236 Ų | 236 | 157.2 Ų | 157.2 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | trans | 27.1 | 147.8 | 152.5 | -75.8 | -175.9 | 176.4 | -150.8 | -1.3 | 124.8 | ||||
| 1049 | P | 42.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -94.6 | 152.3 | -177.4 | 39.2 | -32.8 | 0 | 0 | 0 | 114 | ||||
| 1050 | V | 44.3 | Very low | 40.1 | Very low | 218 Ų | 218 | 159.5 Ų | 159.5 | 100% | 1.321 | 84% | 0.839 | S | S | * | * | trans | -123.5 | 0 | 138 | 174.6 | 0 | 0 | 0 | 0 | 106 |
Retrieved 1,050 of 1,050 residues in 212.7 ms
(Link to these results)