| 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 | 75 | Confident | 87.9 | Confident | 151 Ų | 151 | 39.1 Ų | 39.1 | 74% | 0.744 | 20% | 0.201 | S | C | * | . | 0 | 115.6 | 0 | -72.8 | -170 | -72.1 | 0 | 0 | 108.9 | L3 Y298 E299 I331 | M1-L3 PolarHBondContact O-N 2.88Å; M1-Y298 WeakPolarHBondContact CG-O 3.45Å; M1-E299 CarbonylContact C-O 3.59Å; M1-E299 WeakPolarHBondContact CA-O 3.15Å; M1-I331 HydrophobicContact SD-CD1 4.27Å | |||
| 2 | K | 85.4 | Confident | 88.1 | Confident | 31 Ų | 31 | 36 Ų | 36 | 14% | 0.135 | 19% | 0.185 | C | C | . | . | trans | -68.2 | 121.3 | 170.7 | -172.3 | 178.7 | 176.9 | -172.4 | 0 | 107.8 | D9 E299 E300 F301 H302 Y327 | K2-D9 WeakPolarHBondContact CE-OD2 3.4Å; K2-D9 IonicContact NZ-OD1 2.84Å; K2-D9 PolarHBondContact NZ-OD1 3.23Å; K2-D9 IonicContact NZ-OD2 3.85Å; K2-D9 PolarHBondContact NZ-OD2 2.99Å; K2-E299 PolarHBondContact N-O 2.95Å; K2-E300 HydrophobicContact CB-CB 4.49Å; K2-E300 HydrophobicContact CB-CG 4.33Å; K2-F301 HydrophobicContact CB-CD1 4.3Å; K2-F301 HydrophobicContact CB-CE1 4.07Å; K2-F301 HydrophobicContact CD-CD1 4.22Å; K2-F301 HydrophobicContact CD-CE1 4Å; K2-F301 HydrophobicContact CD-CE2 4.35Å; K2-F301 HydrophobicContact CD-CG 4.49Å; K2-F301 HydrophobicContact CD-CZ 4.06Å; K2-F301 WeakPolarHBondContact CD-O 3.23Å; K2-F301 HydrophobicContact CG-CD1 4.4Å; K2-F301 HydrophobicContact CG-CE1 3.87Å; K2-F301 HydrophobicContact CG-CZ 4.15Å; K2-F301 PolarHBondContact NZ-O 3.43Å; K2-H302 PolarHBondContact NZ-ND1 2.88Å; K2-Y327 PolarHBondContact N-OH 2.99Å; K2-Y327 WeakPolarHBondContact O-CE1 3.38Å; K2-Y327 PolarHBondContact O-OH 2.68Å | ||
| 3 | L | 85.7 | Confident | 88.3 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 41% | 0.408 | 17% | 0.171 | S | C | . | . | trans | -117 | -22.1 | -178.7 | -66.7 | 176.3 | 0 | 0 | 0 | 112.7 | M1 S58 F328 | M1-L3 PolarHBondContact O-N 2.88Å; L3-S58 PolarHBondContact O-OG 2.74Å; L3-F328 HydrophobicContact CD2-CE1 4.41Å | ||
| 4 | L | 89.3 | Confident | 88.6 | Confident | 84 Ų | 84 | 31.6 Ų | 31.6 | 44% | 0.44 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -112.6 | 143.3 | -174.5 | -57.2 | 175.8 | 0 | 0 | 0 | 109.7 | G57 | L4-G57 WeakPolarHBondContact CD2-O 3.36Š|
| 5 | Y | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | trans | -68.9 | 137.4 | 167.6 | -81.7 | 19.3 | 0 | 0 | 0 | 110.5 | D9 V10 S58 R59 L60 R99 F301 V324 | Y5-D9 HydrophobicContact CD1-CB 4.31Å; Y5-D9 HydrophobicContact CD2-CB 4.12Å; Y5-D9 HydrophobicContact CG-CB 3.91Å; Y5-V10 HydrophobicContact CD2-CG2 3.96Å; Y5-V10 HydrophobicContact CG-CG2 4.48Å; Y5-S58 PolarHBondContact N-O 2.84Å; Y5-R59 HydrophobicContact CD1-CB 3.68Å; Y5-R59 HydrophobicContact CD2-CB 4.4Å; Y5-R59 HydrophobicContact CE1-CB 3.38Å; Y5-R59 HydrophobicContact CE2-CB 4.14Å; Y5-R59 HydrophobicContact CG-CB 4.2Å; Y5-L60 HydrophobicContact CD2-CD2 4.45Å; Y5-L60 HydrophobicContact CE2-CD2 4.28Å; Y5-L60 WeakPolarHBondContact CE2-O 3.28Å; Y5-L60 PolarHBondContact OH-O 3.09Å; Y5-R99 WeakPolarHBondContact O-CD 3.34Å; Y5-R99 PolarHBondContact O-NH1 3.27Å; Y5-F301 HydrophobicContact CD1-CE2 4.05Å; Y5-F301 AromaticContact CD1-CZ 3.91Å; Y5-F301 HydrophobicContact CD1-CZ 3.91Å; Y5-F301 AromaticContact CE1-CE2 3.8Å; Y5-F301 HydrophobicContact CE1-CE2 3.8Å; Y5-F301 AromaticContact CE1-CZ 3.86Å; Y5-F301 HydrophobicContact CE1-CZ 3.86Å; Y5-V324 HydrophobicContact CE1-CG1 4.07Å; Y5-V324 HydrophobicContact CE1-CG2 4.35Å; Y5-V324 WeakPolarHBondContact OH-CG1 3.26Å | ||
| 6 | T | 90.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 26% | 0.258 | 15% | 0.153 | S | C | . | . | trans | -81.3 | 165.7 | 160.9 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | F8 D9 V10 | T6-F8 PolarHBondContact O-N 3.26Å; T6-D9 WeakPolarHBondContact CB-OD2 3.41Å; T6-D9 PolarHBondContact N-OD2 3.38Å; T6-D9 PolarHBondContact O-N 3.2Å; T6-D9 VanDerWaalsContact O-N 3.1Å; T6-D9 PolarHBondContact OG1-N 3.32Å; T6-D9 PolarHBondContact OG1-OD2 3.35Å; T6-V10 WeakPolarHBondContact O-CG2 3.43Å; T6-V10 PolarHBondContact O-N 3.34Å | ||
| 7 | T | 89.5 | Confident | 88.9 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.3 | -37.9 | 175.7 | -52 | 0 | 0 | 0 | 0 | 112.2 | V10 M11 Q94 A97 P215 | T7-V10 PolarHBondContact O-N 3.01Å; T7-M11 PolarHBondContact O-N 3.26Å; T7-Q94 VanDerWaalsContact CG2-NE2 3.35Å; T7-A97 WeakPolarHBondContact CG2-O 3.48Å; T7-P215 WeakPolarHBondContact CB-O 3.37Å; T7-P215 HydrophobicContact CG2-CB 4.4Å; T7-P215 PolarHBondContact OG1-O 3.23Å |
| 8 | F | 89 | Confident | 89 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.022 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -41 | 176.2 | -176.4 | -115.8 | 0 | 0 | 0 | 112.7 | T6 V10 M11 V12 I220 I266 L267 P303 F306 | T6-F8 PolarHBondContact O-N 3.26Å; F8-V10 PolarHBondContact O-N 3.07Å; F8-M11 HydrophobicContact CD2-SD 4.25Å; F8-M11 WeakPolarHBondContact O-CB 3.41Å; F8-M11 PolarHBondContact O-N 3.38Å; F8-M11 VanDerWaalsContact O-N 3.15Å; F8-V12 HydrophobicContact CD1-CG2 4.35Å; F8-V12 HydrophobicContact CD2-CG2 4.36Å; F8-V12 HydrophobicContact CE1-CG2 4.05Å; F8-V12 HydrophobicContact CE2-CG2 4.01Å; F8-V12 HydrophobicContact CZ-CG2 3.84Å; F8-V12 WeakPolarHBondContact O-CG2 3.47Å; F8-V12 PolarHBondContact O-N 3.35Å; F8-I220 HydrophobicContact CB-CD1 3.47Å; F8-I220 VanDerWaalsContact CB-CD1 3.47Å; F8-I220 HydrophobicContact CD1-CD1 3.49Å; F8-I220 VanDerWaalsContact CD1-CD1 3.49Å; F8-I220 HydrophobicContact CD1-CG1 4.28Å; F8-I220 HydrophobicContact CD2-CD1 3.67Å; F8-I220 HydrophobicContact CE1-CD1 4.02Å; F8-I220 HydrophobicContact CE2-CD1 4.22Å; F8-I220 HydrophobicContact CG-CD1 3.27Å; F8-I220 HydrophobicContact CG-CG1 4.47Å; F8-I220 HydrophobicContact CZ-CD1 4.37Å; F8-I266 HydrophobicContact CE1-CG2 4.21Å; F8-I266 HydrophobicContact CE2-CG2 3.86Å; F8-I266 HydrophobicContact CZ-CG2 3.48Å; F8-I266 VanDerWaalsContact CZ-CG2 3.48Å; F8-L267 HydrophobicContact CD2-CD2 4.01Å; F8-L267 HydrophobicContact CE2-CD2 4.12Å; F8-P303 HydrophobicContact CD1-CG 3.79Å; F8-P303 HydrophobicContact CE1-CG 3.43Å; F8-P303 VanDerWaalsContact CE1-CG 3.43Å; F8-P303 HydrophobicContact CZ-CG 4.37Å; F8-F306 HydrophobicContact CE1-CZ 4.15Å |
| 9 | D | 91.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -38.7 | 174.6 | -57.3 | -50 | 0 | 0 | 0 | 111.3 | K2 Y5 T6 S13 F320 | K2-D9 WeakPolarHBondContact CE-OD2 3.4Å; K2-D9 IonicContact NZ-OD1 2.84Å; K2-D9 PolarHBondContact NZ-OD1 3.23Å; K2-D9 IonicContact NZ-OD2 3.85Å; K2-D9 PolarHBondContact NZ-OD2 2.99Å; Y5-D9 HydrophobicContact CD1-CB 4.31Å; Y5-D9 HydrophobicContact CD2-CB 4.12Å; Y5-D9 HydrophobicContact CG-CB 3.91Å; T6-D9 WeakPolarHBondContact CB-OD2 3.41Å; T6-D9 PolarHBondContact N-OD2 3.38Å; T6-D9 PolarHBondContact O-N 3.2Å; T6-D9 VanDerWaalsContact O-N 3.1Å; T6-D9 PolarHBondContact OG1-N 3.32Å; T6-D9 PolarHBondContact OG1-OD2 3.35Å; D9-S13 WeakPolarHBondContact O-CB 3.45Å; D9-S13 PolarHBondContact O-N 3.29Å; D9-F320 HydrophobicContact CB-CE1 4.27Å; D9-F320 HydrophobicContact CB-CZ 4.02Å |
| 10 | V | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -49.1 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Y5 T6 T7 F8 V12 S13 V14 Q94 R99 V101 L118 | Y5-V10 HydrophobicContact CD2-CG2 3.96Å; Y5-V10 HydrophobicContact CG-CG2 4.48Å; T6-V10 WeakPolarHBondContact O-CG2 3.43Å; T6-V10 PolarHBondContact O-N 3.34Å; T7-V10 PolarHBondContact O-N 3.01Å; F8-V10 PolarHBondContact O-N 3.07Å; V10-V12 PolarHBondContact O-N 3.03Å; V10-S13 PolarHBondContact O-N 3Å; V10-V14 HydrophobicContact CG1-CG2 3.94Å; V10-V14 VanDerWaalsContact O-CB 3.27Å; V10-V14 WeakPolarHBondContact O-CB 3.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.3Å; V10-Q94 HydrophobicContact CG1-CG 4.18Å; V10-R99 HydrophobicContact CG2-CB 4.3Å; V10-R99 HydrophobicContact CG2-CG 4.2Å; V10-V101 HydrophobicContact CG1-CG2 3.54Å; V10-L118 HydrophobicContact CG1-CD1 4.3Å; V10-L118 HydrophobicContact CG2-CD1 3.62Å |
| 11 | M | 89 | Confident | 88.8 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.5 | -48.5 | -179.7 | -178 | -177.8 | 177.2 | 0 | 0 | 112.1 | T7 F8 S15 Y216 L267 F271 | T7-M11 PolarHBondContact O-N 3.26Å; F8-M11 HydrophobicContact CD2-SD 4.25Å; F8-M11 WeakPolarHBondContact O-CB 3.41Å; F8-M11 PolarHBondContact O-N 3.38Å; F8-M11 VanDerWaalsContact O-N 3.15Å; M11-S15 PolarHBondContact O-N 3.13Å; M11-S15 VanDerWaalsContact O-N 3.11Å; M11-Y216 HydrophobicContact SD-CE1 4.34Å; M11-L267 HydrophobicContact CE-CB 4.46Å; M11-L267 HydrophobicContact CE-CD2 4.35Å; M11-L267 VanDerWaalsContact CE-O 3.31Å; M11-L267 WeakPolarHBondContact CE-O 3.2Å; M11-L267 HydrophobicContact SD-CD2 4.06Å; M11-F271 HydrophobicContact CE-CD2 4.23Å; M11-F271 HydrophobicContact CE-CE2 3.2Å; M11-F271 HydrophobicContact CE-CZ 3.67Å |
| 12 | V | 89.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -48.3 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | F8 V10 V14 S15 E16 P270 P279 P303 F320 | F8-V12 HydrophobicContact CD1-CG2 4.35Å; F8-V12 HydrophobicContact CD2-CG2 4.36Å; F8-V12 HydrophobicContact CE1-CG2 4.05Å; F8-V12 HydrophobicContact CE2-CG2 4.01Å; F8-V12 HydrophobicContact CZ-CG2 3.84Å; F8-V12 WeakPolarHBondContact O-CG2 3.47Å; F8-V12 PolarHBondContact O-N 3.35Å; V10-V12 PolarHBondContact O-N 3.03Å; V12-V14 PolarHBondContact O-N 2.9Å; V12-S15 PolarHBondContact O-N 3.45Å; V12-E16 PolarHBondContact O-N 3.2Å; V12-P270 HydrophobicContact CG2-CB 4.37Å; V12-P270 HydrophobicContact CG2-CG 3.78Å; V12-P279 HydrophobicContact CG1-CB 4.34Å; V12-P279 HydrophobicContact CG1-CG 3.75Å; V12-P303 HydrophobicContact CB-CB 4.06Å; V12-P303 HydrophobicContact CB-CG 4.42Å; V12-P303 HydrophobicContact CG1-CB 3.73Å; V12-P303 HydrophobicContact CG2-CB 3.92Å; V12-P303 HydrophobicContact CG2-CG 3.92Å; V12-F320 HydrophobicContact CB-CD1 4.34Å; V12-F320 HydrophobicContact CG1-CB 4.18Å; V12-F320 HydrophobicContact CG1-CD1 4.03Å; V12-F320 HydrophobicContact CG1-CG 4.28Å |
| 13 | S | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | D9 V10 E16 I17 L60 N321 | D9-S13 WeakPolarHBondContact O-CB 3.45Å; D9-S13 PolarHBondContact O-N 3.29Å; V10-S13 PolarHBondContact O-N 3Å; S13-E16 PolarHBondContact O-N 3.42Å; S13-I17 VanDerWaalsContact O-CB 3.29Å; S13-I17 WeakPolarHBondContact O-CB 3.45Å; S13-I17 WeakPolarHBondContact O-CD1 3.41Å; S13-I17 WeakPolarHBondContact O-CG1 3.28Å; S13-I17 PolarHBondContact O-N 3.33Å; S13-I17 WeakPolarHBondContact OG-CD1 3.47Å; S13-L60 PolarHBondContact OG-O 3.49Å; S13-N321 PolarHBondContact OG-OD1 3.43Å |
| 14 | V | 92.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.6 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | V10 V12 I17 K18 L60 I92 V101 | V10-V14 HydrophobicContact CG1-CG2 3.94Å; V10-V14 VanDerWaalsContact O-CB 3.27Å; V10-V14 WeakPolarHBondContact O-CB 3.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.3Å; V12-V14 PolarHBondContact O-N 2.9Å; V14-I17 PolarHBondContact O-N 3.05Å; V14-K18 WeakPolarHBondContact O-CB 3.15Å; V14-K18 PolarHBondContact O-N 2.93Å; V14-L60 HydrophobicContact CG2-CD1 4.32Å; V14-I92 HydrophobicContact CG1-CG2 4.03Å; V14-V101 HydrophobicContact CG2-CG1 3.96Å; V14-V101 HydrophobicContact CG2-CG2 3.73Å |
| 15 | S | 88.8 | Confident | 90.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 176 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | M11 V12 I17 K18 N19 P270 | M11-S15 PolarHBondContact O-N 3.13Å; M11-S15 VanDerWaalsContact O-N 3.11Å; V12-S15 PolarHBondContact O-N 3.45Å; S15-I17 PolarHBondContact O-N 3.42Å; S15-K18 PolarHBondContact O-N 3.35Å; S15-N19 PolarHBondContact O-N 3.07Å; S15-N19 VanDerWaalsContact O-N 3.14Å; S15-P270 PolarHBondContact OG-O 3.39Å |
| 16 | E | 89.2 | Confident | 90.6 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | -179.9 | -164.5 | -167.2 | 139.1 | 0 | 0 | 112 | V12 S13 R20 T278 S319 F320 N321 | V12-E16 PolarHBondContact O-N 3.2Å; S13-E16 PolarHBondContact O-N 3.42Å; E16-R20 PolarHBondContact O-N 3.04Å; E16-T278 HydrophobicContact CG-CG2 4.43Å; E16-S319 WeakPolarHBondContact OE1-CB 3.42Å; E16-S319 PolarHBondContact OE1-OG 3.22Å; E16-F320 WeakPolarHBondContact OE2-CB 3.21Å; E16-F320 PolarHBondContact OE2-N 2.71Å; E16-N321 WeakPolarHBondContact CG-ND2 3.4Å; E16-N321 VanDerWaalsContact OE1-CB 3.29Å; E16-N321 WeakPolarHBondContact OE1-CB 3.32Å; E16-N321 PolarHBondContact OE1-ND2 2.93Å; E16-N321 PolarHBondContact OE2-N 2.9Å; E16-N321 PolarHBondContact OE2-ND2 3.41Å |
| 17 | I | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 177.9 | -69.1 | 166.3 | 0 | 0 | 0 | 110.2 | S13 V14 S15 N19 R20 I21 L52 L60 I62 I92 | S13-I17 VanDerWaalsContact O-CB 3.29Å; S13-I17 WeakPolarHBondContact O-CB 3.45Å; S13-I17 WeakPolarHBondContact O-CD1 3.41Å; S13-I17 WeakPolarHBondContact O-CG1 3.28Å; S13-I17 PolarHBondContact O-N 3.33Å; S13-I17 WeakPolarHBondContact OG-CD1 3.47Å; V14-I17 PolarHBondContact O-N 3.05Å; S15-I17 PolarHBondContact O-N 3.42Å; I17-N19 VanDerWaalsContact C-N 3.32Å; I17-N19 PolarHBondContact O-N 2.85Å; I17-R20 PolarHBondContact O-N 2.72Å; I17-I21 HydrophobicContact CG2-CD1 3.37Å; I17-I21 HydrophobicContact CG2-CG1 3.74Å; I17-I21 WeakPolarHBondContact O-CG1 3.25Å; I17-I21 PolarHBondContact O-N 3.34Å; I17-L52 HydrophobicContact CD1-CD1 4Å; I17-L52 HydrophobicContact CG2-CD1 4.13Å; I17-L60 HydrophobicContact CD1-CD1 3.53Å; I17-L60 HydrophobicContact CD1-CG 3.9Å; I17-I62 HydrophobicContact CG1-CD1 4.3Å; I17-I62 HydrophobicContact CG1-CG1 4.27Å; I17-I92 HydrophobicContact CG2-CD1 3.9Å |
| 18 | K | 91.1 | Very high | 91 | Very high | 70 Ų | 70 | 31.6 Ų | 31.6 | 30% | 0.304 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.1 | -48.2 | 179.8 | -178.6 | 178 | -172.4 | 149.6 | 0 | 111.2 | V14 S15 R20 L22 D91 | V14-K18 WeakPolarHBondContact O-CB 3.15Å; V14-K18 PolarHBondContact O-N 2.93Å; S15-K18 PolarHBondContact O-N 3.35Å; K18-R20 PolarHBondContact O-N 3.21Å; K18-L22 HydrophobicContact CG-CD1 4.28Å; K18-L22 WeakPolarHBondContact O-CB 3.48Å; K18-L22 PolarHBondContact O-N 2.75Å; K18-D91 WeakPolarHBondContact CE-OD1 3.5Å; K18-D91 IonicContact NZ-OD1 3.74Å; K18-D91 PolarHBondContact NZ-OD1 3.18Å; K18-D91 IonicContact NZ-OD2 3.42Å |
| 19 | N | 86.6 | Confident | 91.3 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 61% | 0.61 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -60.6 | -27.3 | 178.9 | -72.3 | -16.9 | 0 | 0 | 0 | 113.2 | S15 I17 | S15-N19 PolarHBondContact O-N 3.07Å; S15-N19 VanDerWaalsContact O-N 3.14Å; I17-N19 VanDerWaalsContact C-N 3.32Å; I17-N19 PolarHBondContact O-N 2.85Å |
| 20 | R | 86.5 | Confident | 91.4 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 31% | 0.313 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -94.9 | -33.5 | -175.1 | -167.3 | 162.6 | 175.8 | -163.4 | -3.6 | 114.5 | E16 I17 K18 Y24 I62 | E16-R20 PolarHBondContact O-N 3.04Å; I17-R20 PolarHBondContact O-N 2.72Å; K18-R20 PolarHBondContact O-N 3.21Å; R20-Y24 WeakPolarHBondContact O-CE2 3.37Å; R20-I62 HydrophobicContact CB-CD1 4.08Å; R20-I62 HydrophobicContact CG-CD1 4.08Å |
| 21 | I | 90.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -114.2 | -0.3 | -169.6 | 74.5 | 175.1 | 0 | 0 | 0 | 115.4 | I17 G23 Y24 L41 L52 I62 I89 I92 | I17-I21 HydrophobicContact CG2-CD1 3.37Å; I17-I21 HydrophobicContact CG2-CG1 3.74Å; I17-I21 WeakPolarHBondContact O-CG1 3.25Å; I17-I21 PolarHBondContact O-N 3.34Å; I21-G23 PolarHBondContact O-N 3.02Å; I21-Y24 HydrophobicContact CB-CD2 4.47Å; I21-Y24 HydrophobicContact CB-CG 4.38Å; I21-Y24 VanDerWaalsContact O-CB 3.26Å; I21-Y24 WeakPolarHBondContact O-CB 3.42Å; I21-Y24 WeakPolarHBondContact O-CD2 3.36Å; I21-Y24 PolarHBondContact O-N 2.9Å; I21-L41 HydrophobicContact CB-CD1 3.89Å; I21-L41 HydrophobicContact CD1-CD1 3.51Å; I21-L41 HydrophobicContact CG1-CD1 4.28Å; I21-L41 HydrophobicContact CG2-CD1 3.93Å; I21-L52 HydrophobicContact CD1-CD2 3.95Å; I21-I62 HydrophobicContact CG2-CD1 3.84Å; I21-I89 HydrophobicContact CD1-CD1 3.87Å; I21-I89 HydrophobicContact CG1-CD1 4.34Å; I21-I92 HydrophobicContact CD1-CD1 3.33Å; I21-I92 HydrophobicContact CG1-CD1 3.64Å |
| 22 | L | 90.5 | Very high | 91.5 | Very high | 98 Ų | 98 | 34.4 Ų | 34.4 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.7 | 175.9 | -165.8 | 120.4 | 0 | 0 | 0 | 110.9 | K18 Y24 V90 | K18-L22 HydrophobicContact CG-CD1 4.28Å; K18-L22 WeakPolarHBondContact O-CB 3.48Å; K18-L22 PolarHBondContact O-N 2.75Å; L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 PolarHBondContact O-N 2.9Å; L22-V90 WeakPolarHBondContact CD1-O 3.35Å |
| 23 | G | 89.9 | Confident | 91.3 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 24% | 0.237 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I21 I89 | I21-G23 PolarHBondContact O-N 3.02Å; G23-I89 PolarHBondContact N-O 3.22Å |
| 24 | Y | 93.7 | Very high | 91.1 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | trans | -68.8 | 146.8 | 176.2 | -78.2 | -129.7 | 0 | 0 | 0 | 110.8 | R20 I21 L22 L41 A42 S43 T50 K88 I89 | R20-Y24 WeakPolarHBondContact O-CE2 3.37Å; I21-Y24 HydrophobicContact CB-CD2 4.47Å; I21-Y24 HydrophobicContact CB-CG 4.38Å; I21-Y24 VanDerWaalsContact O-CB 3.26Å; I21-Y24 WeakPolarHBondContact O-CB 3.42Å; I21-Y24 WeakPolarHBondContact O-CD2 3.36Å; I21-Y24 PolarHBondContact O-N 2.9Å; L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 PolarHBondContact O-N 2.9Å; Y24-L41 HydrophobicContact CD1-CB 3.89Å; Y24-L41 HydrophobicContact CG-CB 4.45Å; Y24-A42 WeakPolarHBondContact CA-O 3.27Å; Y24-A42 VanDerWaalsContact CD1-C 3.5Å; Y24-S43 VanDerWaalsContact CD1-N 3.33Å; Y24-T50 HydrophobicContact CE1-CG2 4.06Å; Y24-K88 CarbonylContact O-C 3.56Å; Y24-K88 WeakPolarHBondContact O-CA 3.32Å; Y24-I89 PolarHBondContact O-N 3.43Å | ||
| 25 | R | 93.9 | Very high | 91 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.2 | 174.6 | -173.2 | 179.8 | 175.2 | 112.1 | -16.7 | 110.6 | N27 L41 A42 T44 N86 K87 | R25-N27 PolarHBondContact O-N 3.14Å; R25-N27 VanDerWaalsContact O-N 3.12Å; R25-L41 WeakPolarHBondContact O-CA 2.9Å; R25-A42 PolarHBondContact N-O 3.03Å; R25-A42 PolarHBondContact O-N 3.04Å; R25-T44 HydrophobicContact CB-CG2 4.26Å; R25-N86 PolarHBondContact NE-O 2.91Å; R25-N86 VanDerWaalsContact NE-O 3.14Å; R25-N86 PolarHBondContact NE-OD1 3.04Å; R25-N86 PolarHBondContact NH1-O 3.12Å; R25-N86 VanDerWaalsContact NH2-CG 3.33Å; R25-N86 PolarHBondContact NH2-O 3.34Å; R25-N86 PolarHBondContact NH2-OD1 3.5Å; R25-K87 CarbonylContact C-O 3.57Å; R25-K87 WeakPolarHBondContact CA-O 3.26Å |
| 26 | V | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 103.1 | 173 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | I29 L41 N86 K87 I89 I105 | V26-I29 HydrophobicContact CG1-CD1 4.09Å; V26-I29 HydrophobicContact CG1-CG1 3.86Å; V26-L41 HydrophobicContact CB-CD2 4.35Å; V26-L41 HydrophobicContact CG2-CD2 3.86Å; V26-N86 WeakPolarHBondContact O-CA 3.23Å; V26-N86 PolarHBondContact O-N 3.47Å; V26-K87 PolarHBondContact N-O 3.2Å; V26-I89 HydrophobicContact CG2-CG1 4.19Å; V26-I105 HydrophobicContact CG2-CD1 4.45Å; V26-I105 HydrophobicContact CG2-CG2 4.28Å |
| 27 | N | 93.7 | Very high | 91.4 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -48.5 | -177.7 | -174 | -16.9 | 0 | 0 | 0 | 111.4 | R25 K40 A42 R85 | R25-N27 PolarHBondContact O-N 3.14Å; R25-N27 VanDerWaalsContact O-N 3.12Å; N27-K40 HydrophobicContact CB-CG 4.47Å; N27-K40 WeakPolarHBondContact CB-O 3.36Å; N27-K40 PolarHBondContact N-O 3.14Å; N27-A42 HydrophobicContact CB-CB 4.39Å; N27-R85 WeakPolarHBondContact O-CG 3.46Å; N27-R85 PolarHBondContact O-NE 3.33Å; N27-R85 VanDerWaalsContact O-NE 3.12Å |
| 28 | N | 94.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 165.3 | 177.8 | -156.5 | 10.2 | 0 | 0 | 0 | 111.6 | Y30 K40 R81 | N28-Y30 HydrophobicContact CB-CE2 4.08Å; N28-Y30 WeakPolarHBondContact ND2-CE1 3.23Å; N28-Y30 PolarHBondContact ND2-OH 3.02Å; N28-K40 PolarHBondContact N-O 3.17Å; N28-K40 PolarHBondContact O-N 3.31Å; N28-R81 PolarHBondContact OD1-NE 3.43Å |
| 29 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.3 | -176.5 | -53.4 | 175.5 | 0 | 0 | 0 | 108.5 | V26 L38 L39 L80 R81 I84 | V26-I29 HydrophobicContact CG1-CD1 4.09Å; V26-I29 HydrophobicContact CG1-CG1 3.86Å; I29-L38 CarbonylContact C-O 3.25Å; I29-L38 WeakPolarHBondContact CA-O 3.42Å; I29-L39 HydrophobicContact CG1-CG 4.32Å; I29-L39 HydrophobicContact CG2-CD1 4.16Å; I29-L39 HydrophobicContact CG2-CG 4.44Å; I29-L80 HydrophobicContact CD1-CB 3.63Å; I29-L80 HydrophobicContact CG2-CB 4.49Å; I29-L80 HydrophobicContact CG2-CD1 4.19Å; I29-R81 HydrophobicContact CB-CG 4.01Å; I29-R81 HydrophobicContact CG1-CG 4.43Å; I29-R81 PolarHBondContact O-NE 2.98Å; I29-R81 PolarHBondContact O-NH2 2.87Å; I29-I84 HydrophobicContact CD1-CD1 3.45Å; I29-I84 VanDerWaalsContact CD1-CD1 3.45Å; I29-I84 HydrophobicContact CD1-CG1 3.59Å |
| 30 | Y | 94.8 | Very high | 92.2 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 163 | 177.8 | -51 | -88.1 | 0 | 0 | 0 | 110.4 | N28 Y37 L38 K40 K69 | N28-Y30 HydrophobicContact CB-CE2 4.08Å; N28-Y30 WeakPolarHBondContact ND2-CE1 3.23Å; N28-Y30 PolarHBondContact ND2-OH 3.02Å; Y30-Y37 CarbonylContact O-C 3.58Å; Y30-Y37 WeakPolarHBondContact O-CA 3.33Å; Y30-L38 PolarHBondContact N-O 3.12Å; Y30-L38 PolarHBondContact O-N 3.15Å; Y30-K40 HydrophobicContact CE2-CB 4.15Å; Y30-K40 HydrophobicContact CE2-CD 4.5Å; Y30-K69 HydrophobicContact CD1-CD 4.18Å; Y30-K69 HydrophobicContact CD1-CG 4.33Å; Y30-K69 HydrophobicContact CG-CD 4.18Å; Y30-K69 HydrophobicContact CG-CG 4.17Å |
| 31 | D | 92.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.9 | 174.2 | 51.4 | -60.1 | 0 | 0 | 0 | 108.9 | Y37 N70 P73 S74 S77 | D31-Y37 HydrophobicContact CB-CD1 3.91Å; D31-Y37 HydrophobicContact CB-CE1 3.82Å; D31-N70 WeakPolarHBondContact O-CB 3.34Å; D31-N70 PolarHBondContact O-N 3.41Å; D31-N70 PolarHBondContact O-ND2 3.5Å; D31-N70 PolarHBondContact OD2-ND2 3.41Å; D31-P73 VanDerWaalsContact OD1-CA 3.26Å; D31-P73 WeakPolarHBondContact OD1-CA 3.38Å; D31-S74 PolarHBondContact OD1-N 3.24Å; D31-S74 VanDerWaalsContact OD2-CB 3.25Å; D31-S74 WeakPolarHBondContact OD2-CB 3.25Å; D31-S74 PolarHBondContact OD2-N 2.9Å; D31-S74 PolarHBondContact OD2-OG 3.46Å; D31-S77 WeakPolarHBondContact OD1-CB 3.49Å; D31-S77 PolarHBondContact OD1-OG 3.28Å; D31-S77 VanDerWaalsContact OD1-OG 3.12Å |
| 32 | V | 89.2 | Confident | 92.7 | Very high | 27 Ų | 27 | 38 Ų | 38 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -91.6 | -49.8 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 108.6 | T36 L38 W67 P68 N70 | V32-T36 HydrophobicContact CB-CG2 4.34Å; V32-T36 HydrophobicContact CG2-CG2 4.37Å; V32-T36 PolarHBondContact N-O 3.48Å; V32-L38 HydrophobicContact CG2-CD1 3.63Å; V32-L38 HydrophobicContact CG2-CG 3.98Å; V32-W67 HydrophobicContact CG2-CB 3.97Å; V32-P68 HydrophobicContact CG1-CG 4.28Å; V32-P68 WeakPolarHBondContact CG1-O 3.2Å; V32-P68 WeakPolarHBondContact CG2-O 3.31Å; V32-N70 PolarHBondContact O-ND2 3.42Å; V32-N70 VanDerWaalsContact O-ND2 3.09Å; V32-N70 PolarHBondContact O-OD1 2.82Å |
| 33 | D | 86.1 | Confident | 92.6 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -138.7 | -166.1 | 175.5 | 71.9 | -3.9 | 0 | 0 | 0 | 109.9 | K35 T36 | D33-K35 PolarHBondContact O-N 2.88Å; D33-K35 PolarHBondContact OD1-N 3.32Å; D33-T36 WeakPolarHBondContact OD1-CA 3.3Å; D33-T36 WeakPolarHBondContact OD1-CB 3.5Å; D33-T36 PolarHBondContact OD1-N 2.83Å; D33-T36 PolarHBondContact OD1-OG1 2.9Å |
| 34 | N | 86.5 | Confident | 92.1 | Very high | 129 Ų | 129 | 36.9 Ų | 36.9 | 69% | 0.69 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -76 | 1 | -178.9 | -64.6 | -16.9 | 0 | 0 | 0 | 113.8 | ||
| 35 | K | 90.2 | Very high | 91.4 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -128.5 | -23 | -175.8 | -67.4 | -171.1 | 174 | -163.7 | 0 | 113.6 | D33 S56 | D33-K35 PolarHBondContact O-N 2.88Å; D33-K35 PolarHBondContact OD1-N 3.32Å; K35-S56 WeakPolarHBondContact O-CB 3.39Å; K35-S56 PolarHBondContact O-N 2.8Å |
| 36 | T | 92.8 | Very high | 90.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.7 | -169 | -48.2 | 0 | 0 | 0 | 0 | 110 | V32 D33 L53 L54 | V32-T36 HydrophobicContact CB-CG2 4.34Å; V32-T36 HydrophobicContact CG2-CG2 4.37Å; V32-T36 PolarHBondContact N-O 3.48Å; D33-T36 WeakPolarHBondContact OD1-CA 3.3Å; D33-T36 WeakPolarHBondContact OD1-CB 3.5Å; D33-T36 PolarHBondContact OD1-N 2.83Å; D33-T36 PolarHBondContact OD1-OG1 2.9Å; T36-L53 HydrophobicContact CG2-CD1 4.29Å; T36-L53 HydrophobicContact CG2-CD2 3.91Å; T36-L53 HydrophobicContact CG2-CG 4.01Å; T36-L54 CarbonylContact C-O 3.59Å; T36-L54 WeakPolarHBondContact CA-O 3.25Å |
| 37 | Y | 95.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.4 | -177.2 | -66.4 | -92.5 | 0 | 0 | 0 | 110.2 | Y30 D31 L54 F76 M124 L137 | Y30-Y37 CarbonylContact O-C 3.58Å; Y30-Y37 WeakPolarHBondContact O-CA 3.33Å; D31-Y37 HydrophobicContact CB-CD1 3.91Å; D31-Y37 HydrophobicContact CB-CE1 3.82Å; Y37-L54 PolarHBondContact N-O 3.44Å; Y37-L54 PolarHBondContact O-N 3.07Å; Y37-F76 HydrophobicContact CD1-CD1 4.49Å; Y37-F76 AromaticContact CE1-CD1 3.71Å; Y37-F76 HydrophobicContact CE1-CD1 3.71Å; Y37-F76 HydrophobicContact CE1-CE1 4.47Å; Y37-F76 HydrophobicContact CE2-CD1 4.22Å; Y37-F76 AromaticContact CZ-CD1 3.56Å; Y37-M124 HydrophobicContact CD2-CE 3.99Å; Y37-M124 HydrophobicContact CD2-SD 3.32Å; Y37-M124 WeakPolarHBondContact CD2-SD 3.43Å; Y37-M124 HydrophobicContact CE2-SD 3.76Å; Y37-M124 HydrophobicContact CG-CE 4.24Å; Y37-M124 HydrophobicContact CG-SD 4.15Å; Y37-L137 HydrophobicContact CE2-CD1 4.23Å; Y37-L137 HydrophobicContact CE2-CD2 4.49Å; Y37-L137 WeakPolarHBondContact OH-CD1 3.34Å |
| 38 | L | 95.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.2 | 180 | -57.9 | 168.5 | 0 | 0 | 0 | 109 | I29 Y30 V32 I51 L52 L53 T63 W67 K69 | I29-L38 CarbonylContact C-O 3.25Å; I29-L38 WeakPolarHBondContact CA-O 3.42Å; Y30-L38 PolarHBondContact N-O 3.12Å; Y30-L38 PolarHBondContact O-N 3.15Å; V32-L38 HydrophobicContact CG2-CD1 3.63Å; V32-L38 HydrophobicContact CG2-CG 3.98Å; L38-I51 HydrophobicContact CB-CG2 4.01Å; L38-I51 HydrophobicContact CD2-CG2 4.11Å; L38-L52 WeakPolarHBondContact CA-O 3.37Å; L38-L53 HydrophobicContact CD2-CB 3.89Å; L38-L53 HydrophobicContact CD2-CD1 3.75Å; L38-L53 HydrophobicContact CD2-CG 3.73Å; L38-T63 HydrophobicContact CD2-CG2 4.31Å; L38-W67 HydrophobicContact CD1-CB 3.84Å; L38-W67 HydrophobicContact CD2-CB 4.42Å; L38-W67 HydrophobicContact CD2-CG 4.42Å; L38-K69 HydrophobicContact CD1-CG 4.17Å |
| 39 | L | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.4 | 174.2 | -78.9 | 66.4 | 0 | 0 | 0 | 108.1 | I29 L41 I51 L52 L54 L114 | I29-L39 HydrophobicContact CG1-CG 4.32Å; I29-L39 HydrophobicContact CG2-CD1 4.16Å; I29-L39 HydrophobicContact CG2-CG 4.44Å; L39-L41 HydrophobicContact CB-CD2 4.17Å; L39-L41 PolarHBondContact O-N 3.37Å; L39-I51 WeakPolarHBondContact O-CA 3.43Å; L39-L52 HydrophobicContact CB-CB 4.29Å; L39-L52 PolarHBondContact N-O 3.46Å; L39-L52 PolarHBondContact O-N 2.97Å; L39-L54 HydrophobicContact CD1-CD1 3.58Å; L39-L54 HydrophobicContact CD1-CG 4.2Å; L39-L54 HydrophobicContact CD2-CD1 4.27Å; L39-L114 HydrophobicContact CD2-CD2 4.14Å |
| 40 | K | 94.8 | Very high | 88.7 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 27% | 0.274 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112.7 | 172.9 | -175.9 | 176.9 | -176.8 | 175.7 | 0 | 108.7 | N27 N28 Y30 | N27-K40 HydrophobicContact CB-CG 4.47Å; N27-K40 WeakPolarHBondContact CB-O 3.36Å; N27-K40 PolarHBondContact N-O 3.14Å; N28-K40 PolarHBondContact N-O 3.17Å; N28-K40 PolarHBondContact O-N 3.31Å; Y30-K40 HydrophobicContact CE2-CB 4.15Å; Y30-K40 HydrophobicContact CE2-CD 4.5Å |
| 41 | L | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 144.4 | -178.6 | -52.3 | 179.1 | 0 | 0 | 0 | 109.2 | I21 Y24 R25 V26 L39 K49 T50 L52 I89 | I21-L41 HydrophobicContact CB-CD1 3.89Å; I21-L41 HydrophobicContact CD1-CD1 3.51Å; I21-L41 HydrophobicContact CG1-CD1 4.28Å; I21-L41 HydrophobicContact CG2-CD1 3.93Å; Y24-L41 HydrophobicContact CD1-CB 3.89Å; Y24-L41 HydrophobicContact CG-CB 4.45Å; R25-L41 WeakPolarHBondContact O-CA 2.9Å; V26-L41 HydrophobicContact CB-CD2 4.35Å; V26-L41 HydrophobicContact CG2-CD2 3.86Å; L39-L41 HydrophobicContact CB-CD2 4.17Å; L39-L41 PolarHBondContact O-N 3.37Å; L41-K49 WeakPolarHBondContact O-CA 3.45Å; L41-T50 PolarHBondContact N-O 3.45Å; L41-T50 PolarHBondContact O-N 3.26Å; L41-T50 VanDerWaalsContact O-N 3.07Å; L41-L52 HydrophobicContact CD1-CB 4.02Å; L41-I89 HydrophobicContact CD1-CD1 3.71Å; L41-I89 HydrophobicContact CD2-CD1 3.65Å; L41-I89 HydrophobicContact CG-CD1 4.32Å |
| 42 | A | 92.1 | Very high | 88.8 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y24 R25 N27 K49 | Y24-A42 WeakPolarHBondContact CA-O 3.27Å; Y24-A42 VanDerWaalsContact CD1-C 3.5Å; R25-A42 PolarHBondContact N-O 3.03Å; R25-A42 PolarHBondContact O-N 3.04Å; N27-A42 HydrophobicContact CB-CB 4.39Å; A42-K49 HydrophobicContact CB-CG 4.47Å |
| 43 | S | 88.3 | Confident | 89.1 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | trans | -62.9 | 144.2 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | Y24 K45 S46 D48 | Y24-S43 VanDerWaalsContact CD1-N 3.33Å; S43-K45 PolarHBondContact OG-N 3.39Å; S43-S46 CarbonylContact C-O 3.57Å; S43-S46 VanDerWaalsContact CB-O 3.29Å; S43-S46 WeakPolarHBondContact CB-O 3.39Å; S43-S46 WeakPolarHBondContact CB-OG 3.4Å; S43-S46 VanDerWaalsContact O-O 3.06Å; S43-S46 PolarHBondContact OG-N 2.67Å; S43-S46 PolarHBondContact OG-OG 2.96Å; S43-D48 PolarHBondContact N-O 2.96Å | ||
| 44 | T | 80.6 | Confident | 89.6 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -86.4 | -21.7 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | R25 K88 | R25-T44 HydrophobicContact CB-CG2 4.26Å; T44-K88 HydrophobicContact CG2-CD 4.44Å |
| 45 | K | 78.8 | Confident | 89.9 | Confident | 157 Ų | 157 | 39 Ų | 39 | 68% | 0.683 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -92.1 | -44.2 | -179.1 | -63.8 | -171.7 | 173.3 | -164.5 | 0 | 111.5 | S43 D917 | S43-K45 PolarHBondContact OG-N 3.39Å; K45-D917 IonicContact NZ-OD2 3.98Å |
| 46 | S | 76.7 | Confident | 90 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -109.1 | 159.5 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 111 | S43 D48 | S43-S46 CarbonylContact C-O 3.57Å; S43-S46 VanDerWaalsContact CB-O 3.29Å; S43-S46 WeakPolarHBondContact CB-O 3.39Å; S43-S46 WeakPolarHBondContact CB-OG 3.4Å; S43-S46 VanDerWaalsContact O-O 3.06Å; S43-S46 PolarHBondContact OG-N 2.67Å; S43-S46 PolarHBondContact OG-OG 2.96Å; S46-D48 PolarHBondContact O-N 3.37Å; S46-D48 VanDerWaalsContact O-N 3.12Å; S46-D48 WeakPolarHBondContact OG-CB 3.44Å |
| 47 | D | 75.2 | Confident | 89.9 | Confident | 92 Ų | 92 | 34.7 Ų | 34.7 | 49% | 0.492 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -79 | 19.6 | 171.1 | -163.2 | 9.9 | 0 | 0 | 0 | 111.8 | K49 K532 | D47-K49 IonicContact OD1-NZ 3.62Å; D47-K49 PolarHBondContact OD1-NZ 3.28Å; D47-K532 IonicContact OD2-NZ 3.62Å |
| 48 | D | 83.9 | Confident | 89.7 | Confident | 75 Ų | 75 | 35.1 Ų | 35.1 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | trans | -74.2 | 137.6 | 179.7 | -167.6 | 14.6 | 0 | 0 | 0 | 110.8 | S43 S46 | S43-D48 PolarHBondContact N-O 2.96Å; S46-D48 PolarHBondContact O-N 3.37Å; S46-D48 VanDerWaalsContact O-N 3.12Å; S46-D48 WeakPolarHBondContact OG-CB 3.44Å | ||
| 49 | K | 88.4 | Confident | 89.6 | Confident | 99 Ų | 99 | 35 Ų | 35 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.4 | -175 | -69.4 | 174.8 | -174.5 | 98.2 | 0 | 108.2 | L41 A42 D47 | L41-K49 WeakPolarHBondContact O-CA 3.45Å; A42-K49 HydrophobicContact CB-CG 4.47Å; D47-K49 IonicContact OD1-NZ 3.62Å; D47-K49 PolarHBondContact OD1-NZ 3.28Å |
| 50 | T | 91.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.3 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | Y24 L41 | Y24-T50 HydrophobicContact CE1-CG2 4.06Å; L41-T50 PolarHBondContact N-O 3.45Å; L41-T50 PolarHBondContact O-N 3.26Å; L41-T50 VanDerWaalsContact O-N 3.07Å |
| 51 | I | 94.3 | Very high | 89.5 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 21% | 0.205 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.4 | 177.5 | -58.1 | 176.9 | 0 | 0 | 0 | 107.9 | L38 L39 I62 T63 | L38-I51 HydrophobicContact CB-CG2 4.01Å; L38-I51 HydrophobicContact CD2-CG2 4.11Å; L39-I51 WeakPolarHBondContact O-CA 3.43Å; I51-I62 WeakPolarHBondContact O-CA 3.47Å; I51-T63 HydrophobicContact CB-CG2 3.91Å; I51-T63 HydrophobicContact CG2-CG2 3.69Å; I51-T63 PolarHBondContact O-N 3.18Å |
| 52 | L | 95.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119 | 173.1 | 177.9 | 66.5 | 0 | 0 | 0 | 108.9 | I17 I21 L38 L39 L41 L54 I62 I103 | I17-L52 HydrophobicContact CD1-CD1 4Å; I17-L52 HydrophobicContact CG2-CD1 4.13Å; I21-L52 HydrophobicContact CD1-CD2 3.95Å; L38-L52 WeakPolarHBondContact CA-O 3.37Å; L39-L52 HydrophobicContact CB-CB 4.29Å; L39-L52 PolarHBondContact N-O 3.46Å; L39-L52 PolarHBondContact O-N 2.97Å; L41-L52 HydrophobicContact CD1-CB 4.02Å; L52-L54 HydrophobicContact CD1-CD2 4.34Å; L52-L54 HydrophobicContact CD2-CD2 3.96Å; L52-L54 HydrophobicContact CG-CD2 3.87Å; L52-L54 HydrophobicContact CG-CG 4.33Å; L52-I62 HydrophobicContact CD1-CG1 4.36Å; L52-I103 HydrophobicContact CD2-CD1 4.08Å |
| 53 | L | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.6 | 174.8 | -171.9 | 156.1 | 0 | 0 | 0 | 109.5 | T36 L38 E55 L60 H61 T63 W67 | T36-L53 HydrophobicContact CG2-CD1 4.29Å; T36-L53 HydrophobicContact CG2-CD2 3.91Å; T36-L53 HydrophobicContact CG2-CG 4.01Å; L38-L53 HydrophobicContact CD2-CB 3.89Å; L38-L53 HydrophobicContact CD2-CD1 3.75Å; L38-L53 HydrophobicContact CD2-CG 3.73Å; L53-E55 HydrophobicContact CD2-CB 4.16Å; L53-L60 WeakPolarHBondContact O-CA 3.35Å; L53-H61 PolarHBondContact N-O 3.42Å; L53-H61 PolarHBondContact O-N 2.89Å; L53-T63 HydrophobicContact CB-CG2 4.01Å; L53-T63 HydrophobicContact CD1-CG2 4.41Å; L53-W67 HydrophobicContact CD1-CD2 3.83Å; L53-W67 VanDerWaalsContact CD1-CE2 3.47Å; L53-W67 HydrophobicContact CD1-CE3 4.42Å; L53-W67 HydrophobicContact CD1-CG 4.2Å; L53-W67 HydrophobicContact CD1-CH2 4.41Å; L53-W67 HydrophobicContact CD1-CZ2 3.81Å |
| 54 | L | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.8 | 177.4 | -55.8 | 178.8 | 0 | 0 | 0 | 108.6 | T36 Y37 L39 L52 L60 I103 L114 V116 M124 | T36-L54 CarbonylContact C-O 3.59Å; T36-L54 WeakPolarHBondContact CA-O 3.25Å; Y37-L54 PolarHBondContact N-O 3.44Å; Y37-L54 PolarHBondContact O-N 3.07Å; L39-L54 HydrophobicContact CD1-CD1 3.58Å; L39-L54 HydrophobicContact CD1-CG 4.2Å; L39-L54 HydrophobicContact CD2-CD1 4.27Å; L52-L54 HydrophobicContact CD1-CD2 4.34Å; L52-L54 HydrophobicContact CD2-CD2 3.96Å; L52-L54 HydrophobicContact CG-CD2 3.87Å; L52-L54 HydrophobicContact CG-CG 4.33Å; L54-L60 HydrophobicContact CD2-CB 3.83Å; L54-I103 HydrophobicContact CD1-CD1 4.2Å; L54-I103 HydrophobicContact CD2-CD1 4.2Å; L54-L114 HydrophobicContact CD1-CD2 3.96Å; L54-V116 HydrophobicContact CD1-CG2 4.21Å; L54-M124 HydrophobicContact CB-CE 4.01Å; L54-M124 HydrophobicContact CD1-CE 3.71Å |
| 55 | E | 93.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 30.7 Ų | 30.7 | 15% | 0.15 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 109 | 174 | -174.1 | 177.4 | 165.8 | 0 | 0 | 109.6 | L53 G57 S58 R59 | L53-E55 HydrophobicContact CD2-CB 4.16Å; E55-G57 PolarHBondContact O-N 3.23Å; E55-S58 PolarHBondContact O-N 3.14Å; E55-S58 VanDerWaalsContact O-N 3.1Å; E55-R59 HydrophobicContact CB-CG 3.92Å; E55-R59 PolarHBondContact N-O 2.93Å; E55-R59 PolarHBondContact O-N 3.04Å; E55-R59 IonicContact OE2-CZ 3.27Å; E55-R59 VanDerWaalsContact OE2-CZ 3.25Å; E55-R59 IonicContact OE2-NE 3.83Å; E55-R59 PolarHBondContact OE2-NE 3.19Å; E55-R59 IonicContact OE2-NH2 3.95Å; E55-R59 PolarHBondContact OE2-NH2 3.48Å |
| 56 | S | 92 | Very high | 90 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 122.4 | -179.7 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | K35 G122 N123 | K35-S56 WeakPolarHBondContact O-CB 3.39Å; K35-S56 PolarHBondContact O-N 2.8Å; S56-G122 WeakPolarHBondContact OG-CA 3.49Å; S56-N123 WeakPolarHBondContact OG-CA 3.32Å; S56-N123 PolarHBondContact OG-N 2.65Å |
| 57 | G | 90.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 1.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L4 E55 E117 L118 G122 | L4-G57 WeakPolarHBondContact CD2-O 3.36Å; E55-G57 PolarHBondContact O-N 3.23Å; G57-E117 WeakPolarHBondContact CA-O 3.48Å; G57-E117 PolarHBondContact N-O 2.89Å; G57-L118 CarbonylContact O-C 3.53Å; G57-G122 VanDerWaalsContact N-CA 3.29Å |
| 58 | S | 91.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -60.6 | -171.1 | -149.8 | 0 | 0 | 0 | 0 | 114.3 | L3 Y5 E55 | L3-S58 PolarHBondContact O-OG 2.74Å; Y5-S58 PolarHBondContact N-O 2.84Å; E55-S58 PolarHBondContact O-N 3.14Å; E55-S58 VanDerWaalsContact O-N 3.1Å |
| 59 | R | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 163.4 | -167.5 | 62.6 | -172 | 168.8 | 127 | 2.7 | 114 | Y5 E55 H61 F328 | Y5-R59 HydrophobicContact CD1-CB 3.68Å; Y5-R59 HydrophobicContact CD2-CB 4.4Å; Y5-R59 HydrophobicContact CE1-CB 3.38Å; Y5-R59 HydrophobicContact CE2-CB 4.14Å; Y5-R59 HydrophobicContact CG-CB 4.2Å; E55-R59 HydrophobicContact CB-CG 3.92Å; E55-R59 PolarHBondContact N-O 2.93Å; E55-R59 PolarHBondContact O-N 3.04Å; E55-R59 IonicContact OE2-CZ 3.27Å; E55-R59 VanDerWaalsContact OE2-CZ 3.25Å; E55-R59 IonicContact OE2-NE 3.83Å; E55-R59 PolarHBondContact OE2-NE 3.19Å; E55-R59 IonicContact OE2-NH2 3.95Å; E55-R59 PolarHBondContact OE2-NH2 3.48Å; R59-H61 PolarHBondContact NH1-CE1 2.84Å; R59-H61 PolarHBondContact NH1-NE2 3.4Å; R59-H61 VanDerWaalsContact NH1-NE2 3.13Å; R59-F328 VanDerWaalsContact CD-CE2 3.4Å; R59-F328 VanDerWaalsContact CZ-CD1 3.45Å |
| 60 | L | 94.8 | Very high | 91 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.4 | 161.7 | 69 | 154 | 0 | 0 | 0 | 109.9 | Y5 S13 V14 I17 L53 L54 V101 L118 | Y5-L60 HydrophobicContact CD2-CD2 4.45Å; Y5-L60 HydrophobicContact CE2-CD2 4.28Å; Y5-L60 WeakPolarHBondContact CE2-O 3.28Å; Y5-L60 PolarHBondContact OH-O 3.09Å; S13-L60 PolarHBondContact OG-O 3.49Å; V14-L60 HydrophobicContact CG2-CD1 4.32Å; I17-L60 HydrophobicContact CD1-CD1 3.53Å; I17-L60 HydrophobicContact CD1-CG 3.9Å; L53-L60 WeakPolarHBondContact O-CA 3.35Å; L54-L60 HydrophobicContact CD2-CB 3.83Å; L60-V101 HydrophobicContact CD1-CG1 4.2Å; L60-V101 HydrophobicContact CD1-CG2 4.4Å; L60-V101 HydrophobicContact CD2-CG2 3.83Å; L60-L118 HydrophobicContact CD2-CD1 3.36Å; L60-L118 HydrophobicContact CD2-CD2 4.35Å; L60-L118 HydrophobicContact CD2-CG 4.45Å |
| 61 | H | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 162.8 | 173.9 | 50.1 | -73.7 | 0 | 0 | 0 | 109.4 | L53 R59 N321 V324 D325 | L53-H61 PolarHBondContact N-O 3.42Å; L53-H61 PolarHBondContact O-N 2.89Å; R59-H61 PolarHBondContact NH1-CE1 2.84Å; R59-H61 PolarHBondContact NH1-NE2 3.4Å; R59-H61 VanDerWaalsContact NH1-NE2 3.13Å; H61-N321 HydrophobicContact CB-CB 4.31Å; H61-N321 WeakPolarHBondContact CB-OD1 3.29Å; H61-V324 HydrophobicContact CB-CG1 4.45Å; H61-D325 IonicContact CD2-OD1 2.67Å; H61-D325 IonicContact NE2-OD1 2.61Å |
| 62 | I | 94 | Very high | 90.4 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.6 | 170.2 | -63.9 | 165.2 | 0 | 0 | 0 | 108.1 | I17 R20 I21 I51 L52 | I17-I62 HydrophobicContact CG1-CD1 4.3Å; I17-I62 HydrophobicContact CG1-CG1 4.27Å; R20-I62 HydrophobicContact CB-CD1 4.08Å; R20-I62 HydrophobicContact CG-CD1 4.08Å; I21-I62 HydrophobicContact CG2-CD1 3.84Å; I51-I62 WeakPolarHBondContact O-CA 3.47Å; L52-I62 HydrophobicContact CD1-CG1 4.36Å |
| 63 | T | 91.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | trans | -106.8 | 130.6 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | L38 I51 L53 F65 W67 D325 | L38-T63 HydrophobicContact CD2-CG2 4.31Å; I51-T63 HydrophobicContact CB-CG2 3.91Å; I51-T63 HydrophobicContact CG2-CG2 3.69Å; I51-T63 PolarHBondContact O-N 3.18Å; L53-T63 HydrophobicContact CB-CG2 4.01Å; L53-T63 HydrophobicContact CD1-CG2 4.41Å; T63-F65 PolarHBondContact OG1-N 3.21Å; T63-F65 VanDerWaalsContact OG1-N 3.11Å; T63-F65 PolarHBondContact OG1-O 3.22Å; T63-W67 PolarHBondContact OG1-NE1 2.68Å; T63-D325 VanDerWaalsContact CA-OD2 3.27Å; T63-D325 WeakPolarHBondContact CA-OD2 3.26Å; T63-D325 PolarHBondContact OG1-OD1 2.87Å | ||
| 64 | D | 88 | Confident | 89.9 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.193 | 19% | 0.19 | C | C | . | . | trans | -95.4 | -1.9 | 168.4 | -77.4 | -9.4 | 0 | 0 | 0 | 111.2 | D325 V524 K526 | D64-D325 PolarHBondContact N-OD2 3.07Å; D64-V524 VanDerWaalsContact O-CB 3.26Å; D64-V524 WeakPolarHBondContact O-CB 3.44Å; D64-V524 PolarHBondContact O-N 3.44Å; D64-K526 IonicContact OD1-NZ 3.59Å; D64-K526 IonicContact OD2-NZ 3.47Å; D64-K526 PolarHBondContact OD2-NZ 3.14Å | ||
| 65 | F | 86 | Confident | 89.7 | Confident | 41 Ų | 41 | 38.7 Ų | 38.7 | 18% | 0.18 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.7 | 174 | -62.2 | -95.2 | 0 | 0 | 0 | 114 | T63 D325 S329 I521 E523 | T63-F65 PolarHBondContact OG1-N 3.21Å; T63-F65 VanDerWaalsContact OG1-N 3.11Å; T63-F65 PolarHBondContact OG1-O 3.22Å; F65-D325 VanDerWaalsContact CD2-CG 3.46Å; F65-D325 WeakPolarHBondContact CD2-OD1 3.47Å; F65-D325 WeakPolarHBondContact CD2-OD2 3.36Å; F65-S329 WeakPolarHBondContact CD2-OG 3.3Å; F65-S329 WeakPolarHBondContact CG-OG 3.25Å; F65-I521 HydrophobicContact CB-CG2 3.84Å; F65-I521 HydrophobicContact CD1-CG2 4.15Å; F65-I521 HydrophobicContact CG-CG2 4.26Å; F65-E523 VanDerWaalsContact CD1-CA 3.49Å; F65-E523 HydrophobicContact CD1-CB 3.85Å; F65-E523 HydrophobicContact CD1-CG 4.26Å; F65-E523 HydrophobicContact CE1-CB 3.72Å; F65-E523 HydrophobicContact CE1-CG 4Å; F65-E523 HydrophobicContact CZ-CG 4.34Å |
| 66 | D | 84 | Confident | 89.7 | Confident | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.1 | 172.9 | -156.9 | 18.2 | 0 | 0 | 0 | 109 | K69 T522 V524 | D66-K69 IonicContact OD1-NZ 3.72Å; D66-K69 PolarHBondContact OD1-NZ 3.35Å; D66-T522 PolarHBondContact N-O 2.92Å; D66-V524 HydrophobicContact CB-CG2 3.53Å |
| 67 | W | 87.8 | Confident | 89.7 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -90 | 143.2 | 177.5 | -71.1 | 77.4 | 0 | 0 | 0 | 110.8 | V32 L38 L53 T63 K69 E332 I521 | V32-W67 HydrophobicContact CG2-CB 3.97Å; L38-W67 HydrophobicContact CD1-CB 3.84Å; L38-W67 HydrophobicContact CD2-CB 4.42Å; L38-W67 HydrophobicContact CD2-CG 4.42Å; L53-W67 HydrophobicContact CD1-CD2 3.83Å; L53-W67 VanDerWaalsContact CD1-CE2 3.47Å; L53-W67 HydrophobicContact CD1-CE3 4.42Å; L53-W67 HydrophobicContact CD1-CG 4.2Å; L53-W67 HydrophobicContact CD1-CH2 4.41Å; L53-W67 HydrophobicContact CD1-CZ2 3.81Å; T63-W67 PolarHBondContact OG1-NE1 2.68Å; W67-K69 PolarHBondContact O-N 3.25Å; W67-E332 HydrophobicContact CH2-CB 3.89Å; W67-E332 HydrophobicContact CH2-CG 3.71Å; W67-E332 HydrophobicContact CZ3-CB 3.93Å; W67-E332 HydrophobicContact CZ3-CG 3.82Å; W67-I521 HydrophobicContact CD2-CD1 4.47Å; W67-I521 HydrophobicContact CE3-CD1 4Å; W67-I521 HydrophobicContact CH2-CD1 4.03Å; W67-I521 HydrophobicContact CZ3-CD1 3.77Å |
| 68 | P | 84.2 | Confident | 89.9 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 31% | 0.312 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 121 | 178.5 | 25.9 | -32.9 | 0 | 0 | 0 | 110.4 | V32 | V32-P68 HydrophobicContact CG1-CG 4.28Å; V32-P68 WeakPolarHBondContact CG1-O 3.2Å; V32-P68 WeakPolarHBondContact CG2-O 3.31Å |
| 69 | K | 88.6 | Confident | 90 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -96.2 | 140.1 | -177.2 | -65.6 | 148.2 | -164.6 | 147.6 | 0 | 110.6 | Y30 L38 D66 W67 I71 | Y30-K69 HydrophobicContact CD1-CD 4.18Å; Y30-K69 HydrophobicContact CD1-CG 4.33Å; Y30-K69 HydrophobicContact CG-CD 4.18Å; Y30-K69 HydrophobicContact CG-CG 4.17Å; L38-K69 HydrophobicContact CD1-CG 4.17Å; D66-K69 IonicContact OD1-NZ 3.72Å; D66-K69 PolarHBondContact OD1-NZ 3.35Å; W67-K69 PolarHBondContact O-N 3.25Å; K69-I71 PolarHBondContact O-N 3.26Å |
| 70 | N | 85.5 | Confident | 90.1 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 130.9 | 171 | -76.5 | -34.4 | 0 | 0 | 0 | 111.1 | D31 V32 M72 | D31-N70 WeakPolarHBondContact O-CB 3.34Å; D31-N70 PolarHBondContact O-N 3.41Å; D31-N70 PolarHBondContact O-ND2 3.5Å; D31-N70 PolarHBondContact OD2-ND2 3.41Å; V32-N70 PolarHBondContact O-ND2 3.42Å; V32-N70 VanDerWaalsContact O-ND2 3.09Å; V32-N70 PolarHBondContact O-OD1 2.82Å; N70-M72 PolarHBondContact O-N 2.85Å |
| 71 | I | 84.4 | Confident | 90.1 | Very high | 156 Ų | 156 | 49.4 Ų | 49.4 | 80% | 0.8 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -64.9 | -33.2 | 178.2 | -57.4 | 168.8 | 0 | 0 | 0 | 110.7 | K69 | K69-I71 PolarHBondContact O-N 3.26Š|
| 72 | M | 87.8 | Confident | 90.1 | Very high | 148 Ų | 148 | 57.5 Ų | 57.5 | 73% | 0.729 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -112.6 | 114.7 | 174.8 | -65.9 | -176.9 | 67.8 | 0 | 0 | 108.1 | N70 | N70-M72 PolarHBondContact O-N 2.85Š|
| 73 | P | 89 | Confident | 90 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | trans | -66.6 | 143.6 | -177.6 | 26.7 | -32.5 | 0 | 0 | 0 | 110.7 | D31 M78 | D31-P73 VanDerWaalsContact OD1-CA 3.26Å; D31-P73 WeakPolarHBondContact OD1-CA 3.38Å; P73-M78 HydrophobicContact CB-CG 4.35Å; P73-M78 HydrophobicContact CG-CE 3.93Å; P73-M78 HydrophobicContact CG-CG 3.99Å; P73-M78 VanDerWaalsContact O-CE 3.31Å; P73-M78 WeakPolarHBondContact O-CE 3.44Å | ||
| 74 | S | 91.1 | Very high | 90.1 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -60.1 | 157.7 | 174.4 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | D31 F76 S77 M78 | D31-S74 PolarHBondContact OD1-N 3.24Å; D31-S74 VanDerWaalsContact OD2-CB 3.25Å; D31-S74 WeakPolarHBondContact OD2-CB 3.25Å; D31-S74 PolarHBondContact OD2-N 2.9Å; D31-S74 PolarHBondContact OD2-OG 3.46Å; S74-F76 PolarHBondContact O-N 2.98Å; S74-S77 WeakPolarHBondContact O-CB 3.28Å; S74-S77 PolarHBondContact O-N 3.38Å; S74-S77 VanDerWaalsContact O-N 3.08Å; S74-S77 VanDerWaalsContact OG-CB 3.3Å; S74-S77 WeakPolarHBondContact OG-CB 3.36Å; S74-S77 PolarHBondContact OG-N 2.92Å; S74-M78 PolarHBondContact O-N 2.78Å | ||
| 75 | G | 91.7 | Very high | 90.4 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K79 | G75-K79 VanDerWaalsContact O-CG 3.29Å; G75-K79 WeakPolarHBondContact O-CG 3.31Å; G75-K79 PolarHBondContact O-N 3.08Å; G75-K79 VanDerWaalsContact O-N 3.1Å |
| 76 | F | 93.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 173.8 | -172.9 | -106.2 | 0 | 0 | 0 | 112 | Y37 S74 M78 K79 L80 M124 H135 L137 | Y37-F76 HydrophobicContact CD1-CD1 4.49Å; Y37-F76 AromaticContact CE1-CD1 3.71Å; Y37-F76 HydrophobicContact CE1-CD1 3.71Å; Y37-F76 HydrophobicContact CE1-CE1 4.47Å; Y37-F76 HydrophobicContact CE2-CD1 4.22Å; Y37-F76 AromaticContact CZ-CD1 3.56Å; S74-F76 PolarHBondContact O-N 2.98Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.85Å; F76-K79 WeakPolarHBondContact O-CB 3.5Å; F76-K79 PolarHBondContact O-N 2.84Å; F76-K79 VanDerWaalsContact O-N 3.11Å; F76-L80 HydrophobicContact CD1-CD1 3.93Å; F76-L80 HydrophobicContact CD1-CG 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.59Å; F76-L80 HydrophobicContact CE1-CD2 4.2Å; F76-L80 HydrophobicContact CE1-CG 3.94Å; F76-L80 HydrophobicContact CZ-CD1 4.26Å; F76-L80 HydrophobicContact CZ-CD2 4.03Å; F76-L80 HydrophobicContact CZ-CG 4.21Å; F76-L80 WeakPolarHBondContact O-CG 3.45Å; F76-L80 PolarHBondContact O-N 3.24Å; F76-M124 HydrophobicContact CE1-CB 3.88Å; F76-M124 HydrophobicContact CE1-CE 4.45Å; F76-M124 HydrophobicContact CZ-CB 3.84Å; F76-M124 WeakPolarHBondContact CZ-O 2.99Å; F76-H135 HydrophobicContact CE2-CB 4.32Å; F76-L137 HydrophobicContact CB-CD1 4.46Å; F76-L137 HydrophobicContact CD1-CD1 4.32Å; F76-L137 HydrophobicContact CG-CD1 4.35Å |
| 77 | S | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 112 | D31 S74 K79 L80 R81 | D31-S77 WeakPolarHBondContact OD1-CB 3.49Å; D31-S77 PolarHBondContact OD1-OG 3.28Å; D31-S77 VanDerWaalsContact OD1-OG 3.12Å; S74-S77 WeakPolarHBondContact O-CB 3.28Å; S74-S77 PolarHBondContact O-N 3.38Å; S74-S77 VanDerWaalsContact O-N 3.08Å; S74-S77 VanDerWaalsContact OG-CB 3.3Å; S74-S77 WeakPolarHBondContact OG-CB 3.36Å; S74-S77 PolarHBondContact OG-N 2.92Å; S77-K79 PolarHBondContact O-N 2.98Å; S77-L80 PolarHBondContact O-N 2.96Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.36Å; S77-R81 PolarHBondContact O-N 3.45Å |
| 78 | M | 93.9 | Very high | 91.4 | Very high | 106 Ų | 106 | 66.4 Ų | 66.4 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.8 | -66.6 | -168.9 | -156.1 | 0 | 0 | 112.7 | P73 S74 F76 R81 K82 | P73-M78 HydrophobicContact CB-CG 4.35Å; P73-M78 HydrophobicContact CG-CE 3.93Å; P73-M78 HydrophobicContact CG-CG 3.99Å; P73-M78 VanDerWaalsContact O-CE 3.31Å; P73-M78 WeakPolarHBondContact O-CE 3.44Å; S74-M78 PolarHBondContact O-N 2.78Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.85Å; M78-R81 PolarHBondContact O-N 3.01Å; M78-K82 PolarHBondContact O-N 3.43Å |
| 79 | K | 93.5 | Very high | 91.9 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.6 | -76.8 | 167.6 | 169.4 | -166.5 | 0 | 111.8 | G75 F76 S77 R81 K82 H83 H135 | G75-K79 VanDerWaalsContact O-CG 3.29Å; G75-K79 WeakPolarHBondContact O-CG 3.31Å; G75-K79 PolarHBondContact O-N 3.08Å; G75-K79 VanDerWaalsContact O-N 3.1Å; F76-K79 WeakPolarHBondContact O-CB 3.5Å; F76-K79 PolarHBondContact O-N 2.84Å; F76-K79 VanDerWaalsContact O-N 3.11Å; S77-K79 PolarHBondContact O-N 2.98Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.37Å; K79-K82 WeakPolarHBondContact O-CB 3.4Å; K79-K82 PolarHBondContact O-N 2.93Å; K79-K82 VanDerWaalsContact O-N 3.15Å; K79-H83 PolarHBondContact O-CD2 2.86Å; K79-H83 PolarHBondContact O-N 3.11Å; K79-H135 HydrophobicContact CB-CB 4.49Å; K79-H135 HydrophobicContact CD-CB 4.13Å |
| 80 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 173.1 | -67.1 | -179.1 | 0 | 0 | 0 | 111.1 | I29 F76 S77 K82 H83 I84 L114 L126 | I29-L80 HydrophobicContact CD1-CB 3.63Å; I29-L80 HydrophobicContact CG2-CB 4.49Å; I29-L80 HydrophobicContact CG2-CD1 4.19Å; F76-L80 HydrophobicContact CD1-CD1 3.93Å; F76-L80 HydrophobicContact CD1-CG 4.2Å; F76-L80 HydrophobicContact CE1-CD1 3.59Å; F76-L80 HydrophobicContact CE1-CD2 4.2Å; F76-L80 HydrophobicContact CE1-CG 3.94Å; F76-L80 HydrophobicContact CZ-CD1 4.26Å; F76-L80 HydrophobicContact CZ-CD2 4.03Å; F76-L80 HydrophobicContact CZ-CG 4.21Å; F76-L80 WeakPolarHBondContact O-CG 3.45Å; F76-L80 PolarHBondContact O-N 3.24Å; S77-L80 PolarHBondContact O-N 2.96Å; L80-K82 PolarHBondContact O-N 3.33Å; L80-H83 PolarHBondContact O-N 2.82Å; L80-H83 VanDerWaalsContact O-N 3.15Å; L80-I84 HydrophobicContact CB-CD1 4.27Å; L80-I84 HydrophobicContact CB-CG1 4.22Å; L80-I84 HydrophobicContact CD2-CD1 4.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.07Å; L80-L114 HydrophobicContact CD2-CD1 3.97Å; L80-L126 HydrophobicContact CD2-CB 4.04Å; L80-L126 HydrophobicContact CD2-CD1 4.16Å; L80-L126 HydrophobicContact CD2-CD2 4.18Å; L80-L126 HydrophobicContact CD2-CG 4.36Å |
| 81 | R | 94.9 | Very high | 92.5 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 24% | 0.242 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -28.2 | 177.2 | -72.2 | 178.5 | -170.9 | -174.5 | 2.3 | 113.4 | N28 I29 S77 M78 K79 R85 | N28-R81 PolarHBondContact OD1-NE 3.43Å; I29-R81 HydrophobicContact CB-CG 4.01Å; I29-R81 HydrophobicContact CG1-CG 4.43Å; I29-R81 PolarHBondContact O-NE 2.98Å; I29-R81 PolarHBondContact O-NH2 2.87Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.36Å; S77-R81 PolarHBondContact O-N 3.45Å; M78-R81 PolarHBondContact O-N 3.01Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.37Å; R81-R85 WeakPolarHBondContact O-CB 3.34Å |
| 82 | K | 94.1 | Very high | 93 | Very high | 170 Ų | 170 | 53.9 Ų | 53.9 | 74% | 0.739 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 177.2 | -174.6 | -177.2 | 175.8 | -175.4 | 0 | 111.7 | M78 K79 L80 | M78-K82 PolarHBondContact O-N 3.43Å; K79-K82 WeakPolarHBondContact O-CB 3.4Å; K79-K82 PolarHBondContact O-N 2.93Å; K79-K82 VanDerWaalsContact O-N 3.15Å; L80-K82 PolarHBondContact O-N 3.33Å |
| 83 | H | 92.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 15% | 0.148 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -96.9 | -47.3 | -170.2 | -66 | -65.8 | 0 | 0 | 0 | 113.8 | K79 L80 K87 Y112 L126 H135 | K79-H83 PolarHBondContact O-CD2 2.86Å; K79-H83 PolarHBondContact O-N 3.11Å; L80-H83 PolarHBondContact O-N 2.82Å; L80-H83 VanDerWaalsContact O-N 3.15Å; H83-K87 WeakPolarHBondContact O-CD 3.19Å; H83-K87 VanDerWaalsContact O-CE 3.23Å; H83-K87 WeakPolarHBondContact O-CE 3.47Å; H83-Y112 HydrophobicContact CB-CD2 4.19Å; H83-Y112 HydrophobicContact CB-CE2 3.8Å; H83-Y112 AromaticContact ND1-CZ 3.93Å; H83-Y112 WeakPolarHBondContact O-CE2 3.46Å; H83-L126 HydrophobicContact CB-CD2 3.75Å; H83-L126 VanDerWaalsContact CD2-CD2 3.48Å; H83-L126 WeakPolarHBondContact CD2-CD2 3.4Å; H83-H135 AromaticContact CD2-CD2 3.65Å; H83-H135 AromaticContact CD2-NE2 3.85Å; H83-H135 AromaticContact NE2-CD2 3.46Å; H83-H135 PolarHBondContact NE2-CD2 3.36Å; H83-H135 AromaticContact NE2-NE2 3.21Å; H83-H135 PolarHBondContact NE2-NE2 3.46Å |
| 84 | I | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.1 | -169.2 | 57.2 | 157.6 | 0 | 0 | 0 | 114.3 | I29 L80 N86 K87 I105 Y112 L114 L126 | I29-I84 HydrophobicContact CD1-CD1 3.45Å; I29-I84 VanDerWaalsContact CD1-CD1 3.45Å; I29-I84 HydrophobicContact CD1-CG1 3.59Å; L80-I84 HydrophobicContact CB-CD1 4.27Å; L80-I84 HydrophobicContact CB-CG1 4.22Å; L80-I84 HydrophobicContact CD2-CD1 4.31Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.07Å; I84-N86 PolarHBondContact O-N 3.49Å; I84-K87 WeakPolarHBondContact O-CB 3.24Å; I84-K87 PolarHBondContact O-N 3.25Å; I84-I105 HydrophobicContact CB-CD1 4.11Å; I84-I105 HydrophobicContact CB-CG2 4.15Å; I84-I105 HydrophobicContact CD1-CD1 3.76Å; I84-I105 HydrophobicContact CG2-CB 4.31Å; I84-I105 HydrophobicContact CG2-CD1 4.09Å; I84-I105 HydrophobicContact CG2-CG2 4.31Å; I84-Y112 HydrophobicContact CG2-CD2 3.88Å; I84-Y112 HydrophobicContact CG2-CG 4.13Å; I84-L114 HydrophobicContact CD1-CD2 4.39Å; I84-L126 HydrophobicContact CG2-CD1 3.74Å |
| 85 | R | 93.8 | Very high | 93.3 | Very high | 117 Ų | 117 | 49 Ų | 49 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 142.6 | 175.1 | -171.9 | 177.7 | -176.9 | -165.2 | -3.4 | 109.2 | N27 R81 K87 | N27-R85 WeakPolarHBondContact O-CG 3.46Å; N27-R85 PolarHBondContact O-NE 3.33Å; N27-R85 VanDerWaalsContact O-NE 3.12Å; R81-R85 WeakPolarHBondContact O-CB 3.34Å; R85-K87 PolarHBondContact O-N 3.11Å |
| 86 | N | 91.6 | Very high | 93 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 11.5 | -179.8 | -79.3 | -28.2 | 0 | 0 | 0 | 114.7 | R25 V26 I84 | R25-N86 PolarHBondContact NE-O 2.91Å; R25-N86 VanDerWaalsContact NE-O 3.14Å; R25-N86 PolarHBondContact NE-OD1 3.04Å; R25-N86 PolarHBondContact NH1-O 3.12Å; R25-N86 VanDerWaalsContact NH2-CG 3.33Å; R25-N86 PolarHBondContact NH2-O 3.34Å; R25-N86 PolarHBondContact NH2-OD1 3.5Å; V26-N86 WeakPolarHBondContact O-CA 3.23Å; V26-N86 PolarHBondContact O-N 3.47Å; I84-N86 PolarHBondContact O-N 3.49Å |
| 87 | K | 93 | Very high | 92.5 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 156.4 | 171.8 | -63.5 | -167.6 | 174 | -159.4 | 0 | 111 | R25 V26 H83 I84 R85 I105 S110 Y112 | R25-K87 CarbonylContact C-O 3.57Å; R25-K87 WeakPolarHBondContact CA-O 3.26Å; V26-K87 PolarHBondContact N-O 3.2Å; H83-K87 WeakPolarHBondContact O-CD 3.19Å; H83-K87 VanDerWaalsContact O-CE 3.23Å; H83-K87 WeakPolarHBondContact O-CE 3.47Å; I84-K87 WeakPolarHBondContact O-CB 3.24Å; I84-K87 PolarHBondContact O-N 3.25Å; R85-K87 PolarHBondContact O-N 3.11Å; K87-I105 HydrophobicContact CB-CG2 3.55Å; K87-S110 PolarHBondContact NZ-O 3.37Å; K87-S110 PolarHBondContact NZ-OG 2.9Å; K87-Y112 HydrophobicContact CD-CD2 3.95Å; K87-Y112 HydrophobicContact CD-CE2 4.13Å |
| 88 | K | 93.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -88.6 | 142.7 | 178.5 | -68.3 | -172 | -177.9 | -178.2 | 0 | 110.4 | Y24 T44 V90 I105 G106 Y107 | Y24-K88 CarbonylContact O-C 3.56Å; Y24-K88 WeakPolarHBondContact O-CA 3.32Å; T44-K88 HydrophobicContact CG2-CD 4.44Å; K88-V90 PolarHBondContact O-N 3.47Å; K88-I105 CarbonylContact O-C 3.55Å; K88-I105 WeakPolarHBondContact O-CA 3.47Å; K88-G106 PolarHBondContact O-N 3.03Å; K88-Y107 HydrophobicContact CB-CE2 4.14Å; K88-Y107 HydrophobicContact CD-CE2 4.27Å |
| 89 | I | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119 | 168.5 | -61.3 | 177.1 | 0 | 0 | 0 | 107.3 | I21 G23 Y24 V26 L41 I92 I103 I105 | I21-I89 HydrophobicContact CD1-CD1 3.87Å; I21-I89 HydrophobicContact CG1-CD1 4.34Å; G23-I89 PolarHBondContact N-O 3.22Å; Y24-I89 PolarHBondContact O-N 3.43Å; V26-I89 HydrophobicContact CG2-CG1 4.19Å; L41-I89 HydrophobicContact CD1-CD1 3.71Å; L41-I89 HydrophobicContact CD2-CD1 3.65Å; L41-I89 HydrophobicContact CG-CD1 4.32Å; I89-I92 HydrophobicContact CG2-CD1 3.98Å; I89-I92 HydrophobicContact CG2-CG1 3.82Å; I89-I103 HydrophobicContact CG2-CG2 4.34Å; I89-I105 HydrophobicContact CG1-CG1 4.37Å |
| 90 | V | 93.5 | Very high | 92.1 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 24% | 0.236 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -46.6 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | L22 K88 H104 G106 Y107 | L22-V90 WeakPolarHBondContact CD1-O 3.35Å; K88-V90 PolarHBondContact O-N 3.47Å; V90-H104 PolarHBondContact N-O 2.92Å; V90-G106 WeakPolarHBondContact CG2-O 2.94Å; V90-Y107 HydrophobicContact CB-CE1 4.36Å; V90-Y107 HydrophobicContact CG1-CE1 4.07Å; V90-Y107 HydrophobicContact CG2-CD1 3.75Å; V90-Y107 HydrophobicContact CG2-CD2 4.44Å; V90-Y107 HydrophobicContact CG2-CE1 3.39Å; V90-Y107 HydrophobicContact CG2-CE2 4.13Å; V90-Y107 HydrophobicContact CG2-CG 4.27Å |
| 91 | D | 94.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.1 | -179.5 | -164.1 | 27 | 0 | 0 | 0 | 111.9 | K18 H104 | K18-D91 WeakPolarHBondContact CE-OD1 3.5Å; K18-D91 IonicContact NZ-OD1 3.74Å; K18-D91 PolarHBondContact NZ-OD1 3.18Å; K18-D91 IonicContact NZ-OD2 3.42Å; D91-H104 HydrophobicContact CB-CB 4.28Å; D91-H104 PolarHBondContact N-O 3.17Å; D91-H104 PolarHBondContact O-N 2.9Å |
| 92 | I | 94.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.3 | 170.4 | -57.2 | -178.7 | 0 | 0 | 0 | 107.5 | V14 I17 I21 I89 V101 D102 I103 | V14-I92 HydrophobicContact CG1-CG2 4.03Å; I17-I92 HydrophobicContact CG2-CD1 3.9Å; I21-I92 HydrophobicContact CD1-CD1 3.33Å; I21-I92 HydrophobicContact CG1-CD1 3.64Å; I89-I92 HydrophobicContact CG2-CD1 3.98Å; I89-I92 HydrophobicContact CG2-CG1 3.82Å; I92-V101 HydrophobicContact CG2-CG1 3.85Å; I92-D102 WeakPolarHBondContact CA-O 3.24Å; I92-I103 HydrophobicContact CD1-CG2 4.3Å; I92-I103 HydrophobicContact CG1-CG1 4.37Å; I92-I103 HydrophobicContact CG1-CG2 4.09Å; I92-I103 HydrophobicContact CG2-CG1 4.23Å |
| 93 | S | 92.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 32.1 Ų | 32.1 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.6 | -177.5 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | D102 | S93-D102 PolarHBondContact N-O 3.38Å; S93-D102 PolarHBondContact O-N 2.86Å |
| 94 | Q | 91.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.3 | 170.5 | -176.6 | 176.9 | 6.1 | 0 | 0 | 108.7 | T7 V10 G96 D98 V100 | T7-Q94 VanDerWaalsContact CG2-NE2 3.35Å; V10-Q94 HydrophobicContact CG1-CG 4.18Å; Q94-G96 PolarHBondContact O-N 3.3Å; Q94-D98 VanDerWaalsContact CG-O 3.31Å; Q94-D98 WeakPolarHBondContact CG-O 3.35Å; Q94-D98 PolarHBondContact NE2-O 2.97Å; Q94-V100 WeakPolarHBondContact CA-O 3.47Å |
| 95 | I | 90 | Very high | 92.4 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | trans | -80.5 | 106.5 | 176.6 | -53 | -175.6 | 0 | 0 | 0 | 108.5 | V100 D102 I115 Y155 C160 | I95-V100 HydrophobicContact CB-CB 4.27Å; I95-V100 HydrophobicContact CB-CG1 4.23Å; I95-V100 HydrophobicContact CD1-CG1 3.81Å; I95-V100 HydrophobicContact CG1-CG1 4.15Å; I95-V100 PolarHBondContact N-O 3.14Å; I95-D102 HydrophobicContact CD1-CB 3.99Å; I95-D102 HydrophobicContact CG1-CB 3.84Å; I95-I115 HydrophobicContact CD1-CG2 4.2Å; I95-Y155 HydrophobicContact CD1-CE1 4.33Å; I95-C160 HydrophobicContact CG2-CB 4.05Å | ||
| 96 | G | 84.7 | Confident | 92.4 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -144.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q94 R161 | Q94-G96 PolarHBondContact O-N 3.3Å; G96-R161 CarbonylContact C-O 3.56Å; G96-R161 WeakPolarHBondContact CA-O 3.01Å |
| 97 | A | 83.7 | Confident | 92.3 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 27 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T7 R161 I163 P215 | T7-A97 WeakPolarHBondContact CG2-O 3.48Å; A97-R161 PolarHBondContact N-O 3.04Å; A97-I163 HydrophobicContact CB-CG1 4.08Å; A97-P215 HydrophobicContact CB-CB 4.26Å; A97-P215 HydrophobicContact CB-CG 3.72Å |
| 98 | D | 87.4 | Confident | 92 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -106.1 | 165.5 | 179.2 | -153.9 | -11.6 | 0 | 0 | 0 | 111.2 | Q94 V100 C160 | Q94-D98 VanDerWaalsContact CG-O 3.31Å; Q94-D98 WeakPolarHBondContact CG-O 3.35Å; Q94-D98 PolarHBondContact NE2-O 2.97Å; D98-V100 HydrophobicContact CB-CG2 4.41Å; D98-V100 PolarHBondContact O-N 3.14Å; D98-C160 HydrophobicContact CB-CB 4.25Å |
| 99 | R | 92 | Very high | 91.6 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 25% | 0.253 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -81.2 | 52.9 | -179.8 | -63.6 | 176 | -68.4 | 172.2 | -2.1 | 111.3 | Y5 V10 L118 Y119 | Y5-R99 WeakPolarHBondContact O-CD 3.34Å; Y5-R99 PolarHBondContact O-NH1 3.27Å; V10-R99 HydrophobicContact CG2-CB 4.3Å; V10-R99 HydrophobicContact CG2-CG 4.2Å; R99-L118 HydrophobicContact CB-CB 4.21Å; R99-L118 WeakPolarHBondContact O-CB 3.43Å; R99-L118 PolarHBondContact O-N 2.83Å; R99-Y119 VanDerWaalsContact NH2-CB 3.28Å |
| 100 | V | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.9 | 179.1 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | Q94 I95 D98 I115 V116 E117 Y119 | Q94-V100 WeakPolarHBondContact CA-O 3.47Å; I95-V100 HydrophobicContact CB-CB 4.27Å; I95-V100 HydrophobicContact CB-CG1 4.23Å; I95-V100 HydrophobicContact CD1-CG1 3.81Å; I95-V100 HydrophobicContact CG1-CG1 4.15Å; I95-V100 PolarHBondContact N-O 3.14Å; D98-V100 HydrophobicContact CB-CG2 4.41Å; D98-V100 PolarHBondContact O-N 3.14Å; V100-I115 HydrophobicContact CG1-CG2 3.53Å; V100-V116 WeakPolarHBondContact CA-O 3.37Å; V100-E117 HydrophobicContact CG1-CG 4.43Å; V100-E117 HydrophobicContact CG2-CG 4.31Å; V100-Y119 HydrophobicContact CG2-CD1 4.34Å; V100-Y119 HydrophobicContact CG2-CE1 3.72Å |
| 101 | V | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.4 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | V10 V14 L60 I92 I103 I115 V116 L118 | V10-V101 HydrophobicContact CG1-CG2 3.54Å; V14-V101 HydrophobicContact CG2-CG1 3.96Å; V14-V101 HydrophobicContact CG2-CG2 3.73Å; L60-V101 HydrophobicContact CD1-CG1 4.2Å; L60-V101 HydrophobicContact CD1-CG2 4.4Å; L60-V101 HydrophobicContact CD2-CG2 3.83Å; I92-V101 HydrophobicContact CG2-CG1 3.85Å; V101-I103 HydrophobicContact CG1-CG1 4.27Å; V101-I115 CarbonylContact O-C 3.29Å; V101-I115 WeakPolarHBondContact O-CA 3.44Å; V101-V116 PolarHBondContact N-O 2.94Å; V101-V116 PolarHBondContact O-N 3.09Å; V101-L118 HydrophobicContact CG2-CD1 3.95Å |
| 102 | D | 95.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.9 | 169.6 | -175.4 | 17.9 | 0 | 0 | 0 | 110.1 | I92 S93 I95 H113 | I92-D102 WeakPolarHBondContact CA-O 3.24Å; S93-D102 PolarHBondContact N-O 3.38Å; S93-D102 PolarHBondContact O-N 2.86Å; I95-D102 HydrophobicContact CD1-CB 3.99Å; I95-D102 HydrophobicContact CG1-CB 3.84Å; D102-H113 VanDerWaalsContact OD1-CB 3.3Å; D102-H113 WeakPolarHBondContact OD1-CB 3.47Å; D102-H113 IonicContact OD1-CG 2.66Å; D102-H113 IonicContact OD1-ND1 3.69Å; D102-H113 PolarHBondContact OD1-ND1 3.35Å; D102-H113 IonicContact OD2-CE1 3.85Å; D102-H113 IonicContact OD2-CG 3.67Å; D102-H113 IonicContact OD2-ND1 3.24Å; D102-H113 PolarHBondContact OD2-ND1 3.47Å |
| 103 | I | 96.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 106.9 | 171.7 | -55.4 | 172.4 | 0 | 0 | 0 | 107 | L52 L54 I89 I92 V101 I105 L114 V116 | L52-I103 HydrophobicContact CD2-CD1 4.08Å; L54-I103 HydrophobicContact CD1-CD1 4.2Å; L54-I103 HydrophobicContact CD2-CD1 4.2Å; I89-I103 HydrophobicContact CG2-CG2 4.34Å; I92-I103 HydrophobicContact CD1-CG2 4.3Å; I92-I103 HydrophobicContact CG1-CG1 4.37Å; I92-I103 HydrophobicContact CG1-CG2 4.09Å; I92-I103 HydrophobicContact CG2-CG1 4.23Å; V101-I103 HydrophobicContact CG1-CG1 4.27Å; I103-I105 HydrophobicContact CG2-CD1 3.93Å; I103-I105 HydrophobicContact CG2-CG1 3.77Å; I103-L114 HydrophobicContact CB-CB 4.25Å; I103-L114 HydrophobicContact CD1-CD2 4.39Å; I103-L114 PolarHBondContact N-O 2.87Å; I103-L114 PolarHBondContact O-N 2.68Å; I103-V116 HydrophobicContact CD1-CG2 4.5Å |
| 104 | H | 95.5 | Very high | 91.5 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.3 | 179.3 | -177.3 | -168.7 | 0 | 0 | 0 | 110.2 | V90 D91 A111 H113 | V90-H104 PolarHBondContact N-O 2.92Å; D91-H104 HydrophobicContact CB-CB 4.28Å; D91-H104 PolarHBondContact N-O 3.17Å; D91-H104 PolarHBondContact O-N 2.9Å; H104-A111 WeakPolarHBondContact NE2-CB 3.41Å; H104-H113 AromaticContact CD2-CE1 3.82Å; H104-H113 AromaticContact CD2-NE2 3.92Å; H104-H113 AromaticContact CG-CE1 3.79Å |
| 105 | I | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.6 | -172.4 | -51.7 | 173.1 | 0 | 0 | 0 | 110.2 | V26 I84 K87 K88 I89 I103 Y112 L114 | V26-I105 HydrophobicContact CG2-CD1 4.45Å; V26-I105 HydrophobicContact CG2-CG2 4.28Å; I84-I105 HydrophobicContact CB-CD1 4.11Å; I84-I105 HydrophobicContact CB-CG2 4.15Å; I84-I105 HydrophobicContact CD1-CD1 3.76Å; I84-I105 HydrophobicContact CG2-CB 4.31Å; I84-I105 HydrophobicContact CG2-CD1 4.09Å; I84-I105 HydrophobicContact CG2-CG2 4.31Å; K87-I105 HydrophobicContact CB-CG2 3.55Å; K88-I105 CarbonylContact O-C 3.55Å; K88-I105 WeakPolarHBondContact O-CA 3.47Å; I89-I105 HydrophobicContact CG1-CG1 4.37Å; I103-I105 HydrophobicContact CG2-CD1 3.93Å; I103-I105 HydrophobicContact CG2-CG1 3.77Å; I105-Y112 PolarHBondContact N-O 2.92Å; I105-Y112 PolarHBondContact O-N 3.31Å; I105-L114 HydrophobicContact CD1-CB 4.35Å |
| 106 | G | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 94.7 | 176 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K88 V90 | K88-G106 PolarHBondContact O-N 3.03Å; V90-G106 WeakPolarHBondContact CG2-O 2.94Å |
| 107 | Y | 90.2 | Very high | 92.4 | Very high | 127 Ų | 127 | 33 Ų | 33 | 50% | 0.498 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -125.8 | 154.7 | -177.9 | -58.2 | -84.4 | 0 | 0 | 0 | 109.9 | K88 V90 S110 A111 | K88-Y107 HydrophobicContact CB-CE2 4.14Å; K88-Y107 HydrophobicContact CD-CE2 4.27Å; V90-Y107 HydrophobicContact CB-CE1 4.36Å; V90-Y107 HydrophobicContact CG1-CE1 4.07Å; V90-Y107 HydrophobicContact CG2-CD1 3.75Å; V90-Y107 HydrophobicContact CG2-CD2 4.44Å; V90-Y107 HydrophobicContact CG2-CE1 3.39Å; V90-Y107 HydrophobicContact CG2-CE2 4.13Å; V90-Y107 HydrophobicContact CG2-CG 4.27Å; Y107-S110 CarbonylContact O-C 3.48Å; Y107-S110 WeakPolarHBondContact O-CA 3.48Å; Y107-S110 PolarHBondContact O-N 3.42Å; Y107-S110 VanDerWaalsContact O-N 3.1Å; Y107-A111 PolarHBondContact O-N 2.96Å |
| 108 | E | 86.5 | Confident | 92.8 | Very high | 161 Ų | 161 | 32.8 Ų | 32.8 | 75% | 0.752 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | 52.6 | -139.3 | 172.8 | -55.4 | 175.3 | 177.1 | 0 | 0 | 112.5 | S110 A111 | E108-S110 PolarHBondContact O-N 3.34Å; E108-A111 WeakPolarHBondContact O-CB 2.9Å; E108-A111 PolarHBondContact O-N 3.46Å |
| 109 | S | 84.3 | Confident | 92.9 | Very high | 107 Ų | 107 | 33 Ų | 33 | 75% | 0.748 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -56.2 | -10.8 | 176.6 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 110 | S | 87.2 | Confident | 92.4 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -109.5 | 17.9 | 177.9 | -104.6 | 0 | 0 | 0 | 0 | 112.3 | K87 Y107 E108 | K87-S110 PolarHBondContact NZ-O 3.37Å; K87-S110 PolarHBondContact NZ-OG 2.9Å; Y107-S110 CarbonylContact O-C 3.48Å; Y107-S110 WeakPolarHBondContact O-CA 3.48Å; Y107-S110 PolarHBondContact O-N 3.42Å; Y107-S110 VanDerWaalsContact O-N 3.1Å; E108-S110 PolarHBondContact O-N 3.34Å |
| 111 | A | 93 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | trans | -73.3 | 132.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | H104 Y107 E108 E129 | H104-A111 WeakPolarHBondContact NE2-CB 3.41Å; Y107-A111 PolarHBondContact O-N 2.96Å; E108-A111 WeakPolarHBondContact O-CB 2.9Å; E108-A111 PolarHBondContact O-N 3.46Å; A111-E129 HydrophobicContact CB-CB 4.15Å; A111-E129 HydrophobicContact CB-CG 4.25Å; A111-E129 PolarHBondContact O-N 3.02Å | ||
| 112 | Y | 96.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.4 | 172 | -64.9 | -63.2 | 0 | 0 | 0 | 109.3 | H83 I84 K87 I105 T127 L134 | H83-Y112 HydrophobicContact CB-CD2 4.19Å; H83-Y112 HydrophobicContact CB-CE2 3.8Å; H83-Y112 AromaticContact ND1-CZ 3.93Å; H83-Y112 WeakPolarHBondContact O-CE2 3.46Å; I84-Y112 HydrophobicContact CG2-CD2 3.88Å; I84-Y112 HydrophobicContact CG2-CG 4.13Å; K87-Y112 HydrophobicContact CD-CD2 3.95Å; K87-Y112 HydrophobicContact CD-CE2 4.13Å; I105-Y112 PolarHBondContact N-O 2.92Å; I105-Y112 PolarHBondContact O-N 3.31Å; Y112-T127 WeakPolarHBondContact CA-O 3.39Å; Y112-L134 HydrophobicContact CD1-CD1 3.82Å; Y112-L134 HydrophobicContact CE1-CD1 3.58Å |
| 113 | H | 95.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.8 | 174.7 | -64.8 | -98.9 | 0 | 0 | 0 | 108.8 | D102 H104 I115 L126 T127 D128 F131 | D102-H113 VanDerWaalsContact OD1-CB 3.3Å; D102-H113 WeakPolarHBondContact OD1-CB 3.47Å; D102-H113 IonicContact OD1-CG 2.66Å; D102-H113 IonicContact OD1-ND1 3.69Å; D102-H113 PolarHBondContact OD1-ND1 3.35Å; D102-H113 IonicContact OD2-CE1 3.85Å; D102-H113 IonicContact OD2-CG 3.67Å; D102-H113 IonicContact OD2-ND1 3.24Å; D102-H113 PolarHBondContact OD2-ND1 3.47Å; H104-H113 AromaticContact CD2-CE1 3.82Å; H104-H113 AromaticContact CD2-NE2 3.92Å; H104-H113 AromaticContact CG-CE1 3.79Å; H113-I115 HydrophobicContact CB-CG1 4.49Å; H113-L126 WeakPolarHBondContact O-CA 3.34Å; H113-T127 WeakPolarHBondContact CB-OG1 3.4Å; H113-T127 PolarHBondContact N-O 3.46Å; H113-T127 PolarHBondContact O-N 2.97Å; H113-D128 PolarHBondContact CD2-O 3.39Å; H113-F131 HydrophobicContact CB-CE1 4.26Å; H113-F131 AromaticContact CE1-CZ 3.77Å; H113-F131 AromaticContact CG-CE1 3.99Å; H113-F131 AromaticContact ND1-CE1 3.93Å; H113-F131 AromaticContact ND1-CZ 3.71Å |
| 114 | L | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 101.4 | 172.4 | 176.1 | 64.8 | 0 | 0 | 0 | 108.2 | L39 L54 L80 I84 I103 I105 V116 M124 L125 | L39-L114 HydrophobicContact CD2-CD2 4.14Å; L54-L114 HydrophobicContact CD1-CD2 3.96Å; L80-L114 HydrophobicContact CD2-CD1 3.97Å; I84-L114 HydrophobicContact CD1-CD2 4.39Å; I103-L114 HydrophobicContact CB-CB 4.25Å; I103-L114 HydrophobicContact CD1-CD2 4.39Å; I103-L114 PolarHBondContact N-O 2.87Å; I103-L114 PolarHBondContact O-N 2.68Å; I105-L114 HydrophobicContact CD1-CB 4.35Å; L114-V116 HydrophobicContact CG-CG2 4.36Å; L114-M124 HydrophobicContact CD1-CE 4.38Å; L114-L125 CarbonylContact C-O 3.59Å; L114-L125 WeakPolarHBondContact CA-O 3.43Å |
| 115 | I | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.5 | -177.8 | -53.2 | 177.9 | 0 | 0 | 0 | 108.9 | I95 V100 V101 H113 M124 L125 T127 F131 Y155 | I95-I115 HydrophobicContact CD1-CG2 4.2Å; V100-I115 HydrophobicContact CG1-CG2 3.53Å; V101-I115 CarbonylContact O-C 3.29Å; V101-I115 WeakPolarHBondContact O-CA 3.44Å; H113-I115 HydrophobicContact CB-CG1 4.49Å; I115-M124 WeakPolarHBondContact O-CA 3.46Å; I115-L125 HydrophobicContact CB-CB 4.38Å; I115-L125 HydrophobicContact CB-CD1 4.41Å; I115-L125 HydrophobicContact CG2-CD1 4.39Å; I115-L125 PolarHBondContact N-O 3.27Å; I115-L125 PolarHBondContact O-N 2.91Å; I115-T127 HydrophobicContact CD1-CG2 3.86Å; I115-F131 HydrophobicContact CD1-CD1 4.04Å; I115-F131 HydrophobicContact CD1-CE1 4.37Å; I115-Y155 HydrophobicContact CD1-CD1 3.38Å; I115-Y155 HydrophobicContact CD1-CD2 4.15Å; I115-Y155 HydrophobicContact CD1-CE1 3.77Å; I115-Y155 HydrophobicContact CD1-CE2 4.48Å; I115-Y155 HydrophobicContact CD1-CG 3.58Å; I115-Y155 HydrophobicContact CG2-CE1 3.98Å; I115-Y155 HydrophobicContact CG2-CE2 4.31Å |
| 116 | V | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.4 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L54 V100 V101 I103 L114 L118 M124 | L54-V116 HydrophobicContact CD1-CG2 4.21Å; V100-V116 WeakPolarHBondContact CA-O 3.37Å; V101-V116 PolarHBondContact N-O 2.94Å; V101-V116 PolarHBondContact O-N 3.09Å; I103-V116 HydrophobicContact CD1-CG2 4.5Å; L114-V116 HydrophobicContact CG-CG2 4.36Å; V116-L118 HydrophobicContact CG1-CD2 3.7Å; V116-L118 HydrophobicContact CG1-CG 4.38Å; V116-M124 HydrophobicContact CG1-CG 4.31Å; V116-M124 HydrophobicContact CG2-CE 4.32Å |
| 117 | E | 93.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.9 | 176.7 | -62.9 | -179.9 | 166.5 | 0 | 0 | 110 | G57 V100 Y119 G122 N123 L125 Y155 | G57-E117 WeakPolarHBondContact CA-O 3.48Å; G57-E117 PolarHBondContact N-O 2.89Å; V100-E117 HydrophobicContact CG1-CG 4.43Å; V100-E117 HydrophobicContact CG2-CG 4.31Å; E117-Y119 HydrophobicContact CB-CD1 4.24Å; E117-Y119 HydrophobicContact CB-CE1 3.88Å; E117-Y119 HydrophobicContact CG-CE1 4.09Å; E117-G122 WeakPolarHBondContact O-CA 3.38Å; E117-N123 HydrophobicContact CB-CB 4.32Å; E117-N123 HydrophobicContact CG-CB 4.41Å; E117-N123 PolarHBondContact N-O 2.87Å; E117-N123 WeakPolarHBondContact OE2-CB 3.34Å; E117-L125 HydrophobicContact CG-CD1 4.29Å; E117-Y155 WeakPolarHBondContact OE1-CE2 3.45Å; E117-Y155 PolarHBondContact OE1-OH 3.39Å |
| 118 | L | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -105.7 | 29.8 | -173.2 | -52.9 | 167.8 | 0 | 0 | 0 | 112.4 | V10 G57 L60 R99 V101 V116 | V10-L118 HydrophobicContact CG1-CD1 4.3Å; V10-L118 HydrophobicContact CG2-CD1 3.62Å; G57-L118 CarbonylContact O-C 3.53Å; L60-L118 HydrophobicContact CD2-CD1 3.36Å; L60-L118 HydrophobicContact CD2-CD2 4.35Å; L60-L118 HydrophobicContact CD2-CG 4.45Å; R99-L118 HydrophobicContact CB-CB 4.21Å; R99-L118 WeakPolarHBondContact O-CB 3.43Å; R99-L118 PolarHBondContact O-N 2.83Å; V101-L118 HydrophobicContact CG2-CD1 3.95Å; V116-L118 HydrophobicContact CG1-CD2 3.7Å; V116-L118 HydrophobicContact CG1-CG 4.38Å | ||
| 119 | Y | 89.2 | Confident | 92.1 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -134.1 | 163.6 | -179.6 | 65.6 | -91.8 | 0 | 0 | 0 | 112.3 | R99 V100 E117 R121 G122 | R99-Y119 VanDerWaalsContact NH2-CB 3.28Å; V100-Y119 HydrophobicContact CG2-CD1 4.34Å; V100-Y119 HydrophobicContact CG2-CE1 3.72Å; E117-Y119 HydrophobicContact CB-CD1 4.24Å; E117-Y119 HydrophobicContact CB-CE1 3.88Å; E117-Y119 HydrophobicContact CG-CE1 4.09Å; Y119-R121 PolarHBondContact O-N 3.41Å; Y119-G122 WeakPolarHBondContact O-CA 3.31Å; Y119-G122 PolarHBondContact O-N 2.83Å |
| 120 | D | 82.7 | Confident | 92.4 | Very high | 103 Ų | 103 | 31.5 Ų | 31.5 | 55% | 0.551 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -118.2 | 179.2 | -178 | 19.7 | 0 | 0 | 0 | 112.2 | R140 | D120-R140 IonicContact OD2-CZ 3.56Å; D120-R140 IonicContact OD2-NH1 2.79Å; D120-R140 PolarHBondContact OD2-NH1 3.39Å |
| 121 | R | 85.4 | Confident | 92.6 | Very high | 162 Ų | 162 | 31.2 Ų | 31.2 | 61% | 0.611 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.5 | 176.7 | -67.8 | -176.3 | 175.2 | -172.1 | -4.6 | 113.1 | Y119 | Y119-R121 PolarHBondContact O-N 3.41Š|
| 122 | G | 88.6 | Confident | 92.6 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | trans | 74.4 | 156.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S56 G57 E117 Y119 | S56-G122 WeakPolarHBondContact OG-CA 3.49Å; G57-G122 VanDerWaalsContact N-CA 3.29Å; E117-G122 WeakPolarHBondContact O-CA 3.38Å; Y119-G122 WeakPolarHBondContact O-CA 3.31Å; Y119-G122 PolarHBondContact O-N 2.83Å | ||
| 123 | N | 92.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 156.4 | 165.1 | -150.2 | -1.5 | 0 | 0 | 0 | 110.1 | S56 E117 L125 R138 | S56-N123 WeakPolarHBondContact OG-CA 3.32Å; S56-N123 PolarHBondContact OG-N 2.65Å; E117-N123 HydrophobicContact CB-CB 4.32Å; E117-N123 HydrophobicContact CG-CB 4.41Å; E117-N123 PolarHBondContact N-O 2.87Å; E117-N123 WeakPolarHBondContact OE2-CB 3.34Å; N123-L125 HydrophobicContact CB-CD1 4.1Å; N123-R138 PolarHBondContact ND2-O 3.39Å; N123-R138 PolarHBondContact OD1-N 2.97Å; N123-R138 VanDerWaalsContact OD1-N 3.14Å; N123-R138 PolarHBondContact OD1-O 2.97Å |
| 124 | M | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.3 | 170.4 | -68.2 | 178.3 | 71.4 | 0 | 0 | 107.8 | Y37 L54 F76 L114 I115 V116 L136 L137 | Y37-M124 HydrophobicContact CD2-CE 3.99Å; Y37-M124 HydrophobicContact CD2-SD 3.32Å; Y37-M124 WeakPolarHBondContact CD2-SD 3.43Å; Y37-M124 HydrophobicContact CE2-SD 3.76Å; Y37-M124 HydrophobicContact CG-CE 4.24Å; Y37-M124 HydrophobicContact CG-SD 4.15Å; L54-M124 HydrophobicContact CB-CE 4.01Å; L54-M124 HydrophobicContact CD1-CE 3.71Å; F76-M124 HydrophobicContact CE1-CB 3.88Å; F76-M124 HydrophobicContact CE1-CE 4.45Å; F76-M124 HydrophobicContact CZ-CB 3.84Å; F76-M124 WeakPolarHBondContact CZ-O 2.99Å; L114-M124 HydrophobicContact CD1-CE 4.38Å; I115-M124 WeakPolarHBondContact O-CA 3.46Å; V116-M124 HydrophobicContact CG1-CG 4.31Å; V116-M124 HydrophobicContact CG2-CE 4.32Å; M124-L136 CarbonylContact O-C 3.57Å; M124-L136 WeakPolarHBondContact O-CA 3.41Å; M124-L137 HydrophobicContact CB-CB 4.3Å; M124-L137 PolarHBondContact O-N 3.18Å |
| 125 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.9 | -176.3 | -50.3 | 97.1 | 0 | 0 | 0 | 108.9 | L114 I115 E117 N123 I133 L136 F149 Y155 | L114-L125 CarbonylContact C-O 3.59Å; L114-L125 WeakPolarHBondContact CA-O 3.43Å; I115-L125 HydrophobicContact CB-CB 4.38Å; I115-L125 HydrophobicContact CB-CD1 4.41Å; I115-L125 HydrophobicContact CG2-CD1 4.39Å; I115-L125 PolarHBondContact N-O 3.27Å; I115-L125 PolarHBondContact O-N 2.91Å; E117-L125 HydrophobicContact CG-CD1 4.29Å; N123-L125 HydrophobicContact CB-CD1 4.1Å; L125-I133 HydrophobicContact CD2-CD1 3.76Å; L125-I133 HydrophobicContact CD2-CG1 4.12Å; L125-I133 HydrophobicContact CD2-CG2 4.32Å; L125-L136 HydrophobicContact CD2-CB 4.11Å; L125-L136 HydrophobicContact CG-CB 4.17Å; L125-F149 HydrophobicContact CD2-CD1 4.2Å; L125-Y155 HydrophobicContact CD1-CD2 4.39Å; L125-Y155 HydrophobicContact CD1-CE2 3.88Å; L125-Y155 HydrophobicContact CD2-CD2 3.95Å; L125-Y155 HydrophobicContact CD2-CE2 4.14Å |
| 126 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.6 | 168.9 | -179.5 | 73.7 | 0 | 0 | 0 | 107.4 | L80 H83 I84 H113 L134 H135 | L80-L126 HydrophobicContact CD2-CB 4.04Å; L80-L126 HydrophobicContact CD2-CD1 4.16Å; L80-L126 HydrophobicContact CD2-CD2 4.18Å; L80-L126 HydrophobicContact CD2-CG 4.36Å; H83-L126 HydrophobicContact CB-CD2 3.75Å; H83-L126 VanDerWaalsContact CD2-CD2 3.48Å; H83-L126 WeakPolarHBondContact CD2-CD2 3.4Å; I84-L126 HydrophobicContact CG2-CD1 3.74Å; H113-L126 WeakPolarHBondContact O-CA 3.34Å; L126-L134 WeakPolarHBondContact O-CB 3.4Å; L126-L134 PolarHBondContact O-N 3.07Å; L126-H135 HydrophobicContact CB-CB 4.45Å; L126-H135 PolarHBondContact N-O 3.33Å; L126-H135 PolarHBondContact O-N 2.87Å; L126-H135 VanDerWaalsContact O-N 3.17Å |
| 127 | T | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 163.3 | 176.2 | 77.2 | 0 | 0 | 0 | 0 | 111 | Y112 H113 I115 T132 I133 | Y112-T127 WeakPolarHBondContact CA-O 3.39Å; H113-T127 WeakPolarHBondContact CB-OG1 3.4Å; H113-T127 PolarHBondContact N-O 3.46Å; H113-T127 PolarHBondContact O-N 2.97Å; I115-T127 HydrophobicContact CD1-CG2 3.86Å; T127-T132 CarbonylContact C-O 3.39Å; T127-T132 WeakPolarHBondContact CA-O 3.4Å; T127-T132 VanDerWaalsContact CB-O 3.26Å; T127-T132 WeakPolarHBondContact CB-O 3.43Å; T127-I133 HydrophobicContact CG2-CB 4.49Å; T127-I133 HydrophobicContact CG2-CG1 3.96Å |
| 128 | D | 93.7 | Very high | 91.8 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -176 | 166.6 | 66.9 | 15.4 | 0 | 0 | 0 | 112 | H113 S130 F131 T132 L134 | H113-D128 PolarHBondContact CD2-O 3.39Å; D128-S130 VanDerWaalsContact CG-OG 3.31Å; D128-S130 PolarHBondContact O-N 3.27Å; D128-S130 WeakPolarHBondContact OD1-CA 3.14Å; D128-S130 WeakPolarHBondContact OD1-CB 3.42Å; D128-S130 PolarHBondContact OD1-N 3.21Å; D128-S130 PolarHBondContact OD1-OG 3.04Å; D128-S130 PolarHBondContact OD2-OG 3.25Å; D128-F131 PolarHBondContact O-N 2.6Å; D128-F131 VanDerWaalsContact O-N 3.11Å; D128-F131 PolarHBondContact OD1-N 3.15Å; D128-T132 PolarHBondContact N-O 2.79Å; D128-T132 WeakPolarHBondContact OD1-CB 3.32Å; D128-T132 PolarHBondContact OD1-N 3.45Å; D128-T132 WeakPolarHBondContact OD2-CB 3.46Å; D128-L134 HydrophobicContact CB-CD1 4.37Å |
| 129 | E | 92.5 | Very high | 91.7 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.3 | 174.3 | -174.3 | -176 | 177.4 | 0 | 0 | 113.4 | A111 F131 | A111-E129 HydrophobicContact CB-CB 4.15Å; A111-E129 HydrophobicContact CB-CG 4.25Å; A111-E129 PolarHBondContact O-N 3.02Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.04Å |
| 130 | S | 91.1 | Very high | 91.6 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.3 | -178.8 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | D128 T132 K154 | D128-S130 VanDerWaalsContact CG-OG 3.31Å; D128-S130 PolarHBondContact O-N 3.27Å; D128-S130 WeakPolarHBondContact OD1-CA 3.14Å; D128-S130 WeakPolarHBondContact OD1-CB 3.42Å; D128-S130 PolarHBondContact OD1-N 3.21Å; D128-S130 PolarHBondContact OD1-OG 3.04Å; D128-S130 PolarHBondContact OD2-OG 3.25Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-OG1 3.13Å; S130-K154 VanDerWaalsContact O-CE 3.27Å; S130-K154 WeakPolarHBondContact O-CE 3.39Å |
| 131 | F | 91.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 21% | 0.211 | 24% | 0.241 | C | C | . | . | trans | 62.6 | 23 | -170.4 | -67.8 | -93.4 | 0 | 0 | 0 | 114.1 | H113 I115 D128 E129 Y155 T157 | H113-F131 HydrophobicContact CB-CE1 4.26Å; H113-F131 AromaticContact CE1-CZ 3.77Å; H113-F131 AromaticContact CG-CE1 3.99Å; H113-F131 AromaticContact ND1-CE1 3.93Å; H113-F131 AromaticContact ND1-CZ 3.71Å; I115-F131 HydrophobicContact CD1-CD1 4.04Å; I115-F131 HydrophobicContact CD1-CE1 4.37Å; D128-F131 PolarHBondContact O-N 2.6Å; D128-F131 VanDerWaalsContact O-N 3.11Å; D128-F131 PolarHBondContact OD1-N 3.15Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.04Å; F131-Y155 PolarHBondContact O-N 3.41Å; F131-T157 HydrophobicContact CD1-CG2 3.69Å; F131-T157 HydrophobicContact CE1-CG2 3.83Å; F131-T157 HydrophobicContact CG-CG2 4.12Å; F131-T157 HydrophobicContact CZ-CG2 4.36Å | ||
| 132 | T | 93.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -80.5 | 124.3 | 173.4 | -57 | 0 | 0 | 0 | 0 | 110.1 | T127 D128 S130 L134 | T127-T132 CarbonylContact C-O 3.39Å; T127-T132 WeakPolarHBondContact CA-O 3.4Å; T127-T132 VanDerWaalsContact CB-O 3.26Å; T127-T132 WeakPolarHBondContact CB-O 3.43Å; D128-T132 PolarHBondContact N-O 2.79Å; D128-T132 WeakPolarHBondContact OD1-CB 3.32Å; D128-T132 PolarHBondContact OD1-N 3.45Å; D128-T132 WeakPolarHBondContact OD2-CB 3.46Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-OG1 3.13Å; T132-L134 PolarHBondContact O-N 3.45Å |
| 133 | I | 94.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113 | -173.8 | -60.5 | 163.5 | 0 | 0 | 0 | 110 | L125 T127 L136 F149 A150 A151 H152 E153 Y155 | L125-I133 HydrophobicContact CD2-CD1 3.76Å; L125-I133 HydrophobicContact CD2-CG1 4.12Å; L125-I133 HydrophobicContact CD2-CG2 4.32Å; T127-I133 HydrophobicContact CG2-CB 4.49Å; T127-I133 HydrophobicContact CG2-CG1 3.96Å; I133-L136 HydrophobicContact CG2-CB 4.16Å; I133-L136 HydrophobicContact CG2-CD2 4.01Å; I133-F149 HydrophobicContact CD1-CD1 4.48Å; I133-A150 WeakPolarHBondContact CB-O 3.32Å; I133-A151 CarbonylContact O-C 3.56Å; I133-H152 PolarHBondContact O-N 3.05Å; I133-E153 WeakPolarHBondContact CB-O 3.39Å; I133-E153 VanDerWaalsContact CG1-O 3.27Å; I133-E153 WeakPolarHBondContact CG1-O 3.44Å; I133-E153 PolarHBondContact N-O 3.26Å; I133-Y155 HydrophobicContact CD1-CD2 4.36Å |
| 134 | L | 93 | Very high | 89.4 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -50.1 | 173.8 | -59 | 176.1 | 0 | 0 | 0 | 110.2 | Y112 L126 D128 T132 | Y112-L134 HydrophobicContact CD1-CD1 3.82Å; Y112-L134 HydrophobicContact CE1-CD1 3.58Å; L126-L134 WeakPolarHBondContact O-CB 3.4Å; L126-L134 PolarHBondContact O-N 3.07Å; D128-L134 HydrophobicContact CB-CD1 4.37Å; T132-L134 PolarHBondContact O-N 3.45Å |
| 135 | H | 93.9 | Very high | 88.2 | Confident | 40 Ų | 40 | 62 Ų | 62 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.7 | -175.5 | -63.3 | -43.8 | 0 | 0 | 0 | 110.6 | F76 K79 H83 L126 | F76-H135 HydrophobicContact CE2-CB 4.32Å; K79-H135 HydrophobicContact CB-CB 4.49Å; K79-H135 HydrophobicContact CD-CB 4.13Å; H83-H135 AromaticContact CD2-CD2 3.65Å; H83-H135 AromaticContact CD2-NE2 3.85Å; H83-H135 AromaticContact NE2-CD2 3.46Å; H83-H135 PolarHBondContact NE2-CD2 3.36Å; H83-H135 AromaticContact NE2-NE2 3.21Å; H83-H135 PolarHBondContact NE2-NE2 3.46Å; L126-H135 HydrophobicContact CB-CB 4.45Å; L126-H135 PolarHBondContact N-O 3.33Å; L126-H135 PolarHBondContact O-N 2.87Å; L126-H135 VanDerWaalsContact O-N 3.17Å |
| 136 | L | 93.3 | Very high | 87.2 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152 | 178.8 | 63.8 | 167.6 | 0 | 0 | 0 | 110.7 | M124 L125 I133 R138 P139 F149 A151 | M124-L136 CarbonylContact O-C 3.57Å; M124-L136 WeakPolarHBondContact O-CA 3.41Å; L125-L136 HydrophobicContact CD2-CB 4.11Å; L125-L136 HydrophobicContact CG-CB 4.17Å; I133-L136 HydrophobicContact CG2-CB 4.16Å; I133-L136 HydrophobicContact CG2-CD2 4.01Å; L136-R138 WeakPolarHBondContact CD1-O 3.26Å; L136-P139 HydrophobicContact CD1-CB 4.24Å; L136-F149 HydrophobicContact CD1-CB 4.37Å; L136-F149 WeakPolarHBondContact CD1-O 3.29Å; L136-A151 HydrophobicContact CD2-CB 4.2Å |
| 137 | L | 91.4 | Very high | 86.3 | Confident | 47 Ų | 47 | 71 Ų | 71 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -68.2 | -44.3 | 178.7 | -177 | 63.6 | 0 | 0 | 0 | 111.2 | Y37 F76 M124 | Y37-L137 HydrophobicContact CE2-CD1 4.23Å; Y37-L137 HydrophobicContact CE2-CD2 4.49Å; Y37-L137 WeakPolarHBondContact OH-CD1 3.34Å; F76-L137 HydrophobicContact CB-CD1 4.46Å; F76-L137 HydrophobicContact CD1-CD1 4.32Å; F76-L137 HydrophobicContact CG-CD1 4.35Å; M124-L137 HydrophobicContact CB-CB 4.3Å; M124-L137 PolarHBondContact O-N 3.18Å |
| 138 | R | 89.7 | Confident | 85.8 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -142.3 | 126.4 | 179.4 | 178.6 | -177.7 | -63.8 | -162 | -1.1 | 111.1 | N123 L136 | N123-R138 PolarHBondContact ND2-O 3.39Å; N123-R138 PolarHBondContact OD1-N 2.97Å; N123-R138 VanDerWaalsContact OD1-N 3.14Å; N123-R138 PolarHBondContact OD1-O 2.97Å; L136-R138 WeakPolarHBondContact CD1-O 3.26Å |
| 139 | P | 90 | Very high | 85.4 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | trans | -68 | 136.2 | 167.9 | 29.4 | -32.8 | 0 | 0 | 0 | 111 | L136 F149 | L136-P139 HydrophobicContact CD1-CB 4.24Å; P139-F149 WeakPolarHBondContact CA-O 3.33Å | ||
| 140 | R | 87.3 | Confident | 85.1 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.1 | -178.5 | 172.4 | -179.3 | 169 | 150 | 0 | 108.9 | D120 D142 F149 | D120-R140 IonicContact OD2-CZ 3.56Å; D120-R140 IonicContact OD2-NH1 2.79Å; D120-R140 PolarHBondContact OD2-NH1 3.39Å; R140-D142 IonicContact CZ-OD2 3.65Å; R140-D142 IonicContact NE-OD2 2.69Å; R140-D142 IonicContact NH2-OD2 2.71Å; R140-D142 PolarHBondContact NH2-OD2 3.2Å; R140-F149 HydrophobicContact CB-CB 4.48Å; R140-F149 HydrophobicContact CB-CD2 4.29Å; R140-F149 HydrophobicContact CG-CD2 4.4Å; R140-F149 PolarHBondContact N-O 2.91Å; R140-F149 WeakPolarHBondContact O-CA 3.49Å; R140-F149 WeakPolarHBondContact O-CB 3.41Å; R140-F149 PolarHBondContact O-N 3.4Å |
| 141 | T | 84.1 | Confident | 84.9 | Confident | 97 Ų | 97 | 72.1 Ų | 72.1 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.7 | 166.6 | -32 | 0 | 0 | 0 | 0 | 107 | R148 | T141-R148 HydrophobicContact CG2-CB 4.11Å; T141-R148 HydrophobicContact CG2-CG 4.31Å |
| 142 | D | 76.1 | Confident | 84.8 | Confident | 27 Ų | 27 | 77 Ų | 77 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.9 | 176 | -151.9 | -49.8 | 0 | 0 | 0 | 109.9 | R140 N144 N146 I147 | R140-D142 IonicContact CZ-OD2 3.65Å; R140-D142 IonicContact NE-OD2 2.69Å; R140-D142 IonicContact NH2-OD2 2.71Å; R140-D142 PolarHBondContact NH2-OD2 3.2Å; D142-N144 PolarHBondContact O-N 2.99Å; D142-N144 PolarHBondContact OD1-N 2.79Å; D142-N144 VanDerWaalsContact OD1-N 3.08Å; D142-N146 WeakPolarHBondContact O-CA 3.31Å; D142-N146 PolarHBondContact O-N 2.89Å; D142-I147 PolarHBondContact N-O 2.96Å |
| 143 | K | 72.5 | Confident | 84.6 | Confident | 187 Ų | 187 | 79.7 Ų | 79.7 | 81% | 0.813 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -27.9 | -179.1 | -66.2 | -174.4 | 178.6 | -174.9 | 0 | 112.2 | ||
| 144 | N | 70.8 | Confident | 84.4 | Confident | 152 Ų | 152 | 86.5 Ų | 86.5 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -32.2 | -172.8 | -65.3 | -7.4 | 0 | 0 | 0 | 111.8 | D142 | D142-N144 PolarHBondContact O-N 2.99Å; D142-N144 PolarHBondContact OD1-N 2.79Å; D142-N144 VanDerWaalsContact OD1-N 3.08Å |
| 145 | Q | 69.2 | Low | 84.2 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.1 | -176 | -63.2 | -175.8 | -6.8 | 0 | 0 | 113.4 | I147 | Q145-I147 HydrophobicContact CB-CB 4.44Å; Q145-I147 HydrophobicContact CB-CD1 3.82Å; Q145-I147 HydrophobicContact CB-CG1 4.02Å; Q145-I147 PolarHBondContact O-N 3.26Å |
| 146 | N | 73.1 | Confident | 83.8 | Confident | 149 Ų | 149 | 84.5 Ų | 84.5 | 80% | 0.797 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 29.9 | -172.4 | -78 | -20.1 | 0 | 0 | 0 | 113.8 | D142 | D142-N146 WeakPolarHBondContact O-CA 3.31Å; D142-N146 PolarHBondContact O-N 2.89Å |
| 147 | I | 77.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127 | 179.5 | -67.3 | 170.1 | 0 | 0 | 0 | 109.1 | D142 Q145 F149 P156 S159 | D142-I147 PolarHBondContact N-O 2.96Å; Q145-I147 HydrophobicContact CB-CB 4.44Å; Q145-I147 HydrophobicContact CB-CD1 3.82Å; Q145-I147 HydrophobicContact CB-CG1 4.02Å; Q145-I147 PolarHBondContact O-N 3.26Å; I147-F149 HydrophobicContact CB-CE2 4.5Å; I147-F149 HydrophobicContact CG2-CD2 4.29Å; I147-F149 HydrophobicContact CG2-CE1 4.31Å; I147-F149 HydrophobicContact CG2-CE2 3.82Å; I147-F149 HydrophobicContact CG2-CZ 3.84Å; I147-P156 HydrophobicContact CD1-CB 4.19Å; I147-P156 HydrophobicContact CD1-CG 3.93Å; I147-P156 HydrophobicContact CG2-CG 3.79Å; I147-S159 VanDerWaalsContact CD1-OG 3.27Å; I147-S159 WeakPolarHBondContact CD1-OG 3.39Å |
| 148 | R | 83.2 | Confident | 82.5 | Confident | 163 Ų | 163 | 88.5 Ų | 88.5 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.7 | 175.3 | -172.4 | -177.6 | -180 | -174.5 | -0.6 | 110.1 | T141 A150 | T141-R148 HydrophobicContact CG2-CB 4.11Å; T141-R148 HydrophobicContact CG2-CG 4.31Å; R148-A150 HydrophobicContact CG-CB 4.23Å; R148-A150 PolarHBondContact O-N 3.13Å |
| 149 | F | 85.1 | Confident | 81.8 | Confident | 13 Ų | 13 | 85.2 Ų | 85.2 | 6% | 0.057 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 98.9 | 169.5 | -59.7 | -88.5 | 0 | 0 | 0 | 108.9 | L125 I133 L136 P139 R140 I147 Y155 P156 | L125-F149 HydrophobicContact CD2-CD1 4.2Å; I133-F149 HydrophobicContact CD1-CD1 4.48Å; L136-F149 HydrophobicContact CD1-CB 4.37Å; L136-F149 WeakPolarHBondContact CD1-O 3.29Å; P139-F149 WeakPolarHBondContact CA-O 3.33Å; R140-F149 HydrophobicContact CB-CB 4.48Å; R140-F149 HydrophobicContact CB-CD2 4.29Å; R140-F149 HydrophobicContact CG-CD2 4.4Å; R140-F149 PolarHBondContact N-O 2.91Å; R140-F149 WeakPolarHBondContact O-CA 3.49Å; R140-F149 WeakPolarHBondContact O-CB 3.41Å; R140-F149 PolarHBondContact O-N 3.4Å; I147-F149 HydrophobicContact CB-CE2 4.5Å; I147-F149 HydrophobicContact CG2-CD2 4.29Å; I147-F149 HydrophobicContact CG2-CE1 4.31Å; I147-F149 HydrophobicContact CG2-CE2 3.82Å; I147-F149 HydrophobicContact CG2-CZ 3.84Å; F149-Y155 HydrophobicContact CD1-CD2 4.08Å; F149-Y155 HydrophobicContact CD1-CE2 4.05Å; F149-Y155 AromaticContact CE1-CD2 3.86Å; F149-Y155 HydrophobicContact CE1-CD2 3.86Å; F149-Y155 AromaticContact CE1-CE2 3.58Å; F149-Y155 HydrophobicContact CE1-CE2 3.58Å; F149-P156 HydrophobicContact CE1-CG 4.21Å; F149-P156 HydrophobicContact CZ-CG 4.35Å |
| 150 | A | 87 | Confident | 81.1 | Confident | 15 Ų | 15 | 81 Ų | 81 | 12% | 0.124 | 41% | 0.411 | C | S | . | . | trans | -136.2 | 167.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I133 R148 E153 | I133-A150 WeakPolarHBondContact CB-O 3.32Å; R148-A150 HydrophobicContact CG-CB 4.23Å; R148-A150 PolarHBondContact O-N 3.13Å; A150-E153 HydrophobicContact CB-CG 4Å; A150-E153 PolarHBondContact O-N 3.11Å | ||
| 151 | A | 86.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 143.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I133 L136 E153 | I133-A151 CarbonylContact O-C 3.56Å; L136-A151 HydrophobicContact CD2-CB 4.2Å; A151-E153 PolarHBondContact O-N 3.34Å |
| 152 | H | 88.7 | Confident | 80.3 | Confident | 150 Ų | 150 | 81.9 Ų | 81.9 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 2.5 | -175.3 | -51.7 | -71.4 | 0 | 0 | 0 | 116.3 | I133 | I133-H152 PolarHBondContact O-N 3.05Š|
| 153 | E | 89.7 | Confident | 80.3 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -86.4 | 151.4 | 169.5 | -62.4 | -67.5 | 174.2 | 0 | 0 | 110.4 | I133 A150 A151 | I133-E153 WeakPolarHBondContact CB-O 3.39Å; I133-E153 VanDerWaalsContact CG1-O 3.27Å; I133-E153 WeakPolarHBondContact CG1-O 3.44Å; I133-E153 PolarHBondContact N-O 3.26Å; A150-E153 HydrophobicContact CB-CG 4Å; A150-E153 PolarHBondContact O-N 3.11Å; A151-E153 PolarHBondContact O-N 3.34Å |
| 154 | K | 89.9 | Confident | 80.3 | Confident | 144 Ų | 144 | 77.4 Ų | 77.4 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -79.6 | 131.3 | 175.8 | -170.9 | 169.9 | -179.3 | 168.4 | 0 | 110.7 | S130 P156 | S130-K154 VanDerWaalsContact O-CE 3.27Å; S130-K154 WeakPolarHBondContact O-CE 3.39Å; K154-P156 WeakPolarHBondContact O-CD 3.34Å |
| 155 | Y | 89.3 | Confident | 80.2 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 124.3 | 174.4 | -171 | -97.8 | 0 | 0 | 0 | 110.1 | I95 I115 E117 L125 F131 I133 F149 T157 | I95-Y155 HydrophobicContact CD1-CE1 4.33Å; I115-Y155 HydrophobicContact CD1-CD1 3.38Å; I115-Y155 HydrophobicContact CD1-CD2 4.15Å; I115-Y155 HydrophobicContact CD1-CE1 3.77Å; I115-Y155 HydrophobicContact CD1-CE2 4.48Å; I115-Y155 HydrophobicContact CD1-CG 3.58Å; I115-Y155 HydrophobicContact CG2-CE1 3.98Å; I115-Y155 HydrophobicContact CG2-CE2 4.31Å; E117-Y155 WeakPolarHBondContact OE1-CE2 3.45Å; E117-Y155 PolarHBondContact OE1-OH 3.39Å; L125-Y155 HydrophobicContact CD1-CD2 4.39Å; L125-Y155 HydrophobicContact CD1-CE2 3.88Å; L125-Y155 HydrophobicContact CD2-CD2 3.95Å; L125-Y155 HydrophobicContact CD2-CE2 4.14Å; F131-Y155 PolarHBondContact O-N 3.41Å; I133-Y155 HydrophobicContact CD1-CD2 4.36Å; F149-Y155 HydrophobicContact CD1-CD2 4.08Å; F149-Y155 HydrophobicContact CD1-CE2 4.05Å; F149-Y155 AromaticContact CE1-CD2 3.86Å; F149-Y155 HydrophobicContact CE1-CD2 3.86Å; F149-Y155 AromaticContact CE1-CE2 3.58Å; F149-Y155 HydrophobicContact CE1-CE2 3.58Å; Y155-T157 HydrophobicContact CD1-CG2 4.09Å; Y155-T157 PolarHBondContact O-N 2.83Å |
| 156 | P | 84.8 | Confident | 80.2 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | trans | -84 | 85.9 | -175.2 | 33.3 | -33.5 | 0 | 0 | 0 | 110.8 | I147 F149 K154 T158 S159 | I147-P156 HydrophobicContact CD1-CB 4.19Å; I147-P156 HydrophobicContact CD1-CG 3.93Å; I147-P156 HydrophobicContact CG2-CG 3.79Å; F149-P156 HydrophobicContact CE1-CG 4.21Å; F149-P156 HydrophobicContact CZ-CG 4.35Å; K154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-T158 PolarHBondContact O-N 3.07Å; P156-S159 PolarHBondContact O-N 3.01Å | ||
| 157 | T | 80 | Confident | 80.3 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -60 | -29 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | F131 Y155 S159 C160 | F131-T157 HydrophobicContact CD1-CG2 3.69Å; F131-T157 HydrophobicContact CE1-CG2 3.83Å; F131-T157 HydrophobicContact CG-CG2 4.12Å; F131-T157 HydrophobicContact CZ-CG2 4.36Å; Y155-T157 HydrophobicContact CD1-CG2 4.09Å; Y155-T157 PolarHBondContact O-N 2.83Å; T157-S159 VanDerWaalsContact C-N 3.31Å; T157-S159 PolarHBondContact O-N 2.82Å; T157-C160 PolarHBondContact O-N 3.34Å |
| 158 | T | 78 | Confident | 80 | Confident | 114 Ų | 114 | 72 Ų | 72 | 70% | 0.699 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -72.9 | -18.4 | 179.6 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | P156 C160 | P156-T158 PolarHBondContact O-N 3.07Å; T158-C160 PolarHBondContact O-N 3.22Å |
| 159 | S | 75.8 | Confident | 79.4 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -71.2 | -18.5 | 177 | -66.9 | 0 | 0 | 0 | 0 | 113.2 | I147 P156 T157 | I147-S159 VanDerWaalsContact CD1-OG 3.27Å; I147-S159 WeakPolarHBondContact CD1-OG 3.39Å; P156-S159 PolarHBondContact O-N 3.01Å; T157-S159 VanDerWaalsContact C-N 3.31Å; T157-S159 PolarHBondContact O-N 2.82Å |
| 160 | C | 75.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -70.5 | 143.9 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | I95 D98 T157 T158 Q162 | I95-C160 HydrophobicContact CG2-CB 4.05Å; D98-C160 HydrophobicContact CB-CB 4.25Å; T157-C160 PolarHBondContact O-N 3.34Å; T158-C160 PolarHBondContact O-N 3.22Å; C160-Q162 PolarHBondContact O-N 3.1Å; C160-Q162 VanDerWaalsContact O-N 3.11Å; C160-Q162 PolarHBondContact O-NE2 3.17Å |
| 161 | R | 76.8 | Confident | 78.3 | Confident | 89 Ų | 89 | 77 Ų | 77 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 119.8 | 176.4 | -171.1 | -179.4 | -172.3 | 157.1 | 12.6 | 109.2 | G96 A97 S212 E213 | G96-R161 CarbonylContact C-O 3.56Å; G96-R161 WeakPolarHBondContact CA-O 3.01Å; A97-R161 PolarHBondContact N-O 3.04Å; R161-S212 PolarHBondContact NH1-O 3.42Å; R161-S212 PolarHBondContact NH2-O 2.77Å; R161-E213 PolarHBondContact NH2-O 3.1Å |
| 162 | Q | 77.5 | Confident | 77.8 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 149.7 | 179.5 | -64 | -60.5 | -34.1 | 0 | 0 | 110.9 | C160 L164 | C160-Q162 PolarHBondContact O-N 3.1Å; C160-Q162 VanDerWaalsContact O-N 3.11Å; C160-Q162 PolarHBondContact O-NE2 3.17Å; Q162-L164 PolarHBondContact O-N 3.42Å |
| 163 | I | 74.5 | Confident | 77.1 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 33% | 0.333 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 125 | 171.7 | -58.8 | 170.5 | 0 | 0 | 0 | 107.4 | A97 F167 R168 | A97-I163 HydrophobicContact CB-CG1 4.08Å; I163-F167 HydrophobicContact CG2-CB 3.9Å; I163-R168 HydrophobicContact CG2-CG 4.36Å |
| 164 | L | 72.8 | Confident | 76.6 | Confident | 55 Ų | 55 | 81.6 Ų | 81.6 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 143.3 | 176.5 | -60.5 | 163.8 | 0 | 0 | 0 | 109.3 | Q162 C166 F167 F182 | Q162-L164 PolarHBondContact O-N 3.42Å; L164-C166 PolarHBondContact O-N 3.42Å; L164-C166 VanDerWaalsContact O-N 3.16Å; L164-F167 HydrophobicContact CB-CD2 3.92Å; L164-F167 HydrophobicContact CB-CE2 4.37Å; L164-F167 HydrophobicContact CD1-CD2 4.25Å; L164-F167 HydrophobicContact CD1-CE2 3.92Å; L164-F167 PolarHBondContact O-N 3.27Å; L164-F182 HydrophobicContact CD1-CE1 4.03Å; L164-F182 HydrophobicContact CD1-CE2 4.32Å; L164-F182 HydrophobicContact CD1-CZ 3.76Å |
| 165 | E | 69.6 | Low | 76.1 | Confident | 153 Ų | 153 | 75 Ų | 75 | 72% | 0.715 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -56.7 | -36.7 | -172.2 | -65.9 | -175.6 | 160.1 | 0 | 0 | 112.6 | F167 R168 | E165-F167 PolarHBondContact O-N 3.48Å; E165-F167 VanDerWaalsContact O-N 3.13Å; E165-R168 PolarHBondContact O-N 3.29Å |
| 166 | C | 68.6 | Low | 75.8 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 10% | 0.101 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -61.8 | -18.2 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | L164 D178 I179 | L164-C166 PolarHBondContact O-N 3.42Å; L164-C166 VanDerWaalsContact O-N 3.16Å; C166-D178 HydrophobicContact CB-CB 3.96Å; C166-I179 HydrophobicContact CB-CG1 4.05Å |
| 167 | F | 75.3 | Confident | 75.7 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 4% | 0.044 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -101.2 | 0.1 | 178.9 | -63.5 | -68 | 0 | 0 | 0 | 114.1 | I163 L164 E165 L170 I179 L214 Y216 L263 L267 | I163-F167 HydrophobicContact CG2-CB 3.9Å; L164-F167 HydrophobicContact CB-CD2 3.92Å; L164-F167 HydrophobicContact CB-CE2 4.37Å; L164-F167 HydrophobicContact CD1-CD2 4.25Å; L164-F167 HydrophobicContact CD1-CE2 3.92Å; L164-F167 PolarHBondContact O-N 3.27Å; E165-F167 PolarHBondContact O-N 3.48Å; E165-F167 VanDerWaalsContact O-N 3.13Å; F167-L170 HydrophobicContact CD1-CD2 4.07Å; F167-I179 HydrophobicContact CD1-CD1 4.19Å; F167-I179 HydrophobicContact CD1-CG1 4.4Å; F167-I179 HydrophobicContact CE1-CD1 3.96Å; F167-I179 HydrophobicContact CE1-CG1 4.02Å; F167-I179 HydrophobicContact CZ-CG1 4.48Å; F167-L214 HydrophobicContact CE2-CD2 4.03Å; F167-L214 HydrophobicContact CZ-CD2 3.97Å; F167-Y216 HydrophobicContact CD2-CE2 4.46Å; F167-Y216 HydrophobicContact CE2-CE2 4.34Å; F167-Y216 HydrophobicContact CZ-CE2 4.4Å; F167-L263 HydrophobicContact CE1-CD2 3.88Å; F167-L263 HydrophobicContact CE1-CG 4.37Å; F167-L263 HydrophobicContact CZ-CD2 3.9Å; F167-L267 HydrophobicContact CD1-CD1 3.76Å; F167-L267 HydrophobicContact CE1-CD1 3.82Å |
| 168 | R | 70.6 | Confident | 75.9 | Confident | 149 Ų | 149 | 83.7 Ų | 83.7 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -46.1 | -177 | -69.4 | -175.5 | -176.1 | 170 | 4.5 | 112.8 | I163 E165 | I163-R168 HydrophobicContact CG2-CG 4.36Å; E165-R168 PolarHBondContact O-N 3.29Å |
| 169 | D | 71.9 | Confident | 76.2 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 56.3 | -174.4 | -67.5 | -43 | 0 | 0 | 0 | 112.2 | K171 D172 | D169-K171 PolarHBondContact O-N 3.12Å; D169-D172 PolarHBondContact O-N 3.49Å |
| 170 | L | 74.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.6 | -175.9 | -74.3 | 166.5 | 0 | 0 | 0 | 114.6 | F167 D172 S175 I179 R264 L267 L268 | F167-L170 HydrophobicContact CD1-CD2 4.07Å; L170-D172 VanDerWaalsContact C-N 3.33Å; L170-S175 PolarHBondContact O-OG 2.83Å; L170-I179 HydrophobicContact CD2-CD1 3.99Å; L170-R264 HydrophobicContact CD2-CG 4.08Å; L170-R264 VanDerWaalsContact O-CZ 3.3Å; L170-R264 PolarHBondContact O-NE 2.86Å; L170-R264 PolarHBondContact O-NH2 3.37Å; L170-L267 HydrophobicContact CD1-CB 3.86Å; L170-L268 HydrophobicContact CB-CD1 4.29Å; L170-L268 HydrophobicContact CB-CD2 3.36Å; L170-L268 HydrophobicContact CB-CG 3.76Å; L170-L268 HydrophobicContact CD1-CD2 4.41Å; L170-L268 HydrophobicContact CD1-CG 4.47Å; L170-L268 HydrophobicContact CG-CD2 4.49Å |
| 171 | K | 73.2 | Confident | 77.1 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31 | 177.8 | -68.6 | -173.7 | 178.5 | -176.4 | 0 | 112.6 | D169 R264 L268 | D169-K171 PolarHBondContact O-N 3.12Å; K171-R264 PolarHBondContact O-NH2 3.48Å; K171-L268 HydrophobicContact CG-CD2 4.21Å |
| 172 | D | 76 | Confident | 77.6 | Confident | 77 Ų | 77 | 81 Ų | 81 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -72.7 | 141.4 | 179 | -166.6 | -3.9 | 0 | 0 | 0 | 110.5 | D169 L170 K174 S175 | D169-D172 PolarHBondContact O-N 3.49Å; L170-D172 VanDerWaalsContact C-N 3.33Å; D172-K174 PolarHBondContact O-N 3.2Å; D172-K174 PolarHBondContact OD1-N 3.37Å; D172-K174 WeakPolarHBondContact OD2-CD 3.38Å; D172-S175 WeakPolarHBondContact O-CB 3.3Å; D172-S175 PolarHBondContact O-N 2.99Å; D172-S175 PolarHBondContact O-OG 3.12Å |
| 173 | Q | 75 | Confident | 78 | Confident | 163 Ų | 163 | 76 Ų | 76 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.3 | 173.2 | -89.9 | -179.8 | -12.7 | 0 | 0 | 112.1 | S175 L176 | Q173-S175 PolarHBondContact O-N 3.35Å; Q173-L176 WeakPolarHBondContact O-CB 3.46Å; Q173-L176 PolarHBondContact O-N 3.05Å |
| 174 | K | 79.4 | Confident | 78.5 | Confident | 144 Ų | 144 | 74.7 Ų | 74.7 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.5 | -34.6 | 175.3 | -65 | -179.2 | -171.5 | 166.5 | 0 | 112.4 | D172 L176 K177 D178 | D172-K174 PolarHBondContact O-N 3.2Å; D172-K174 PolarHBondContact OD1-N 3.37Å; D172-K174 WeakPolarHBondContact OD2-CD 3.38Å; K174-L176 PolarHBondContact O-N 3.04Å; K174-L176 VanDerWaalsContact O-N 3.14Å; K174-K177 PolarHBondContact O-N 3Å; K174-K177 VanDerWaalsContact O-N 3.1Å; K174-D178 PolarHBondContact O-N 3.28Å; K174-D178 VanDerWaalsContact O-N 3.13Å |
| 175 | S | 79.8 | Confident | 79.2 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.9 | -33.6 | 178.4 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | L170 D172 Q173 D178 I179 | L170-S175 PolarHBondContact O-OG 2.83Å; D172-S175 WeakPolarHBondContact O-CB 3.3Å; D172-S175 PolarHBondContact O-N 2.99Å; D172-S175 PolarHBondContact O-OG 3.12Å; Q173-S175 PolarHBondContact O-N 3.35Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-I179 WeakPolarHBondContact O-CB 3.5Å; S175-I179 WeakPolarHBondContact O-CD1 3.45Å; S175-I179 WeakPolarHBondContact O-CG1 3.26Å; S175-I179 PolarHBondContact O-N 3.48Å |
| 176 | L | 81.9 | Confident | 79.9 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | -179.9 | -173 | 148.7 | 0 | 0 | 0 | 111.2 | Q173 K174 D178 I179 E180 V261 | Q173-L176 WeakPolarHBondContact O-CB 3.46Å; Q173-L176 PolarHBondContact O-N 3.05Å; K174-L176 PolarHBondContact O-N 3.04Å; K174-L176 VanDerWaalsContact O-N 3.14Å; L176-D178 VanDerWaalsContact C-N 3.32Å; L176-D178 PolarHBondContact O-N 3.45Å; L176-I179 PolarHBondContact O-N 3.41Å; L176-E180 VanDerWaalsContact CD2-CD 3.5Å; L176-E180 HydrophobicContact CD2-CG 4.32Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.49Å; L176-E180 VanDerWaalsContact O-CG 3.3Å; L176-E180 WeakPolarHBondContact O-CG 3.49Å; L176-E180 PolarHBondContact O-N 2.91Å; L176-V261 HydrophobicContact CD1-CG2 3.82Å |
| 177 | K | 83.3 | Confident | 80.7 | Confident | 141 Ų | 141 | 68.7 Ų | 68.7 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65 | -37.5 | 175.4 | -67.1 | -174.2 | 177.9 | -176 | 0 | 111.8 | K174 E180 N181 | K174-K177 PolarHBondContact O-N 3Å; K174-K177 VanDerWaalsContact O-N 3.1Å; K177-E180 PolarHBondContact O-N 3.46Å; K177-N181 WeakPolarHBondContact O-CB 3.44Å; K177-N181 PolarHBondContact O-N 3.36Å; K177-N181 PolarHBondContact O-ND2 3.46Å; K177-N181 VanDerWaalsContact O-ND2 3.13Å |
| 178 | D | 84.2 | Confident | 81.1 | Confident | 80 Ų | 80 | 72.6 Ų | 72.6 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 177.9 | -61.7 | -30.1 | 0 | 0 | 0 | 111.7 | C166 K174 S175 L176 F182 | C166-D178 HydrophobicContact CB-CB 3.96Å; K174-D178 PolarHBondContact O-N 3.28Å; K174-D178 VanDerWaalsContact O-N 3.13Å; S175-D178 PolarHBondContact O-N 2.88Å; L176-D178 VanDerWaalsContact C-N 3.32Å; L176-D178 PolarHBondContact O-N 3.45Å; D178-F182 WeakPolarHBondContact O-CB 3.43Å; D178-F182 PolarHBondContact O-N 3.1Å; D178-F182 VanDerWaalsContact O-N 3.08Å |
| 179 | I | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 173 | -67.5 | 163.5 | 0 | 0 | 0 | 110.2 | C166 F167 L170 S175 L176 F182 L183 A260 R264 | C166-I179 HydrophobicContact CB-CG1 4.05Å; F167-I179 HydrophobicContact CD1-CD1 4.19Å; F167-I179 HydrophobicContact CD1-CG1 4.4Å; F167-I179 HydrophobicContact CE1-CD1 3.96Å; F167-I179 HydrophobicContact CE1-CG1 4.02Å; F167-I179 HydrophobicContact CZ-CG1 4.48Å; L170-I179 HydrophobicContact CD2-CD1 3.99Å; S175-I179 WeakPolarHBondContact O-CB 3.5Å; S175-I179 WeakPolarHBondContact O-CD1 3.45Å; S175-I179 WeakPolarHBondContact O-CG1 3.26Å; S175-I179 PolarHBondContact O-N 3.48Å; L176-I179 PolarHBondContact O-N 3.41Å; I179-F182 PolarHBondContact O-N 3.34Å; I179-L183 HydrophobicContact CG2-CD1 3.7Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 WeakPolarHBondContact O-CB 3.35Å; I179-L183 VanDerWaalsContact O-CG 3.25Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.38Å; I179-A260 HydrophobicContact CB-CB 4.47Å; I179-A260 HydrophobicContact CG2-CB 3.76Å; I179-R264 HydrophobicContact CD1-CB 4.39Å |
| 180 | E | 85.5 | Confident | 82.2 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 176.9 | -72.5 | 172.1 | 167.4 | 0 | 0 | 111.7 | L176 K177 F182 L183 I184 V256 E257 A260 | L176-E180 VanDerWaalsContact CD2-CD 3.5Å; L176-E180 HydrophobicContact CD2-CG 4.32Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.49Å; L176-E180 VanDerWaalsContact O-CG 3.3Å; L176-E180 WeakPolarHBondContact O-CG 3.49Å; L176-E180 PolarHBondContact O-N 2.91Å; K177-E180 PolarHBondContact O-N 3.46Å; E180-F182 PolarHBondContact O-N 3.07Å; E180-L183 PolarHBondContact O-N 3.17Å; E180-I184 VanDerWaalsContact O-CG1 3.27Å; E180-I184 WeakPolarHBondContact O-CG1 3.36Å; E180-I184 PolarHBondContact O-N 2.99Å; E180-V256 HydrophobicContact CB-CG1 4.13Å; E180-V256 HydrophobicContact CG-CG1 4.14Å; E180-E257 WeakPolarHBondContact OE1-CA 3.17Å; E180-A260 HydrophobicContact CG-CB 3.76Å |
| 181 | N | 85.9 | Confident | 82.5 | Confident | 106 Ų | 106 | 65 Ų | 65 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.3 | -35.1 | 177.9 | -71.9 | -28 | 0 | 0 | 0 | 112.4 | K177 P185 | K177-N181 WeakPolarHBondContact O-CB 3.44Å; K177-N181 PolarHBondContact O-N 3.36Å; K177-N181 PolarHBondContact O-ND2 3.46Å; K177-N181 VanDerWaalsContact O-ND2 3.13Å; N181-P185 WeakPolarHBondContact O-CD 3.35Å |
| 182 | F | 85.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 174.5 | 175.7 | -101.1 | 0 | 0 | 0 | 112.7 | L164 D178 I179 E180 L186 E213 L214 | L164-F182 HydrophobicContact CD1-CE1 4.03Å; L164-F182 HydrophobicContact CD1-CE2 4.32Å; L164-F182 HydrophobicContact CD1-CZ 3.76Å; D178-F182 WeakPolarHBondContact O-CB 3.43Å; D178-F182 PolarHBondContact O-N 3.1Å; D178-F182 VanDerWaalsContact O-N 3.08Å; I179-F182 PolarHBondContact O-N 3.34Å; E180-F182 PolarHBondContact O-N 3.07Å; F182-L186 HydrophobicContact CD1-CD1 4.28Å; F182-L186 HydrophobicContact CE1-CD1 3.73Å; F182-L186 HydrophobicContact CZ-CD1 3.99Å; F182-E213 HydrophobicContact CZ-CB 4.38Å; F182-L214 HydrophobicContact CE1-CD2 4.41Å |
| 183 | L | 86.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81 | -32.7 | -175.7 | -69.8 | 176.6 | 0 | 0 | 0 | 113.5 | I179 E180 L186 F187 L210 V256 F259 A260 | I179-L183 HydrophobicContact CG2-CD1 3.7Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 WeakPolarHBondContact O-CB 3.35Å; I179-L183 VanDerWaalsContact O-CG 3.25Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.38Å; E180-L183 PolarHBondContact O-N 3.17Å; L183-L186 HydrophobicContact CD2-CD1 4.4Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3.42Å; L183-F187 HydrophobicContact CB-CD2 4.3Å; L183-F187 HydrophobicContact CB-CE2 4.32Å; L183-F187 HydrophobicContact CD2-CE2 4.38Å; L183-F187 WeakPolarHBondContact O-CD2 3.37Å; L183-F187 PolarHBondContact O-N 3.44Å; L183-L210 HydrophobicContact CD2-CD2 3.96Å; L183-V256 HydrophobicContact CB-CG1 3.67Å; L183-V256 HydrophobicContact CB-CG2 4.35Å; L183-V256 HydrophobicContact CD1-CG1 4.33Å; L183-F259 HydrophobicContact CD1-CD1 3.51Å; L183-F259 HydrophobicContact CD1-CE1 3.85Å; L183-F259 HydrophobicContact CD2-CE1 4.3Å; L183-A260 HydrophobicContact CD1-CB 4.31Å |
| 184 | I | 86.2 | Confident | 82.7 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.3 | -52.1 | -178.1 | -73.5 | 162.6 | 0 | 0 | 0 | 112 | E180 L186 F187 Q188 V256 | E180-I184 VanDerWaalsContact O-CG1 3.27Å; E180-I184 WeakPolarHBondContact O-CG1 3.36Å; E180-I184 PolarHBondContact O-N 2.99Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 3.5Å; I184-F187 PolarHBondContact O-N 3.32Å; I184-Q188 HydrophobicContact CG2-CG 4.36Å; I184-Q188 VanDerWaalsContact O-CG 3.31Å; I184-Q188 WeakPolarHBondContact O-CG 3.38Å; I184-Q188 PolarHBondContact O-N 3.34Å; I184-V256 HydrophobicContact CG1-CB 4.38Å; I184-V256 HydrophobicContact CG1-CG1 4.03Å; I184-V256 HydrophobicContact CG1-CG2 4.34Å |
| 185 | P | 85.6 | Confident | 82.5 | Confident | 69 Ų | 69 | 44.7 Ų | 44.7 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -34.5 | 178.7 | -22.9 | 33.5 | 0 | 0 | 0 | 113.5 | N181 S189 | N181-P185 WeakPolarHBondContact O-CD 3.35Å; P185-S189 WeakPolarHBondContact O-CB 2.84Å; P185-S189 PolarHBondContact O-N 2.68Å; P185-S189 VanDerWaalsContact O-N 3.08Å; P185-S189 PolarHBondContact O-OG 2.87Å |
| 186 | L | 85.3 | Confident | 81.8 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 179.2 | -62.2 | 176.9 | 0 | 0 | 0 | 111.6 | F182 L183 I184 S189 S190 T209 L210 E213 | F182-L186 HydrophobicContact CD1-CD1 4.28Å; F182-L186 HydrophobicContact CE1-CD1 3.73Å; F182-L186 HydrophobicContact CZ-CD1 3.99Å; L183-L186 HydrophobicContact CD2-CD1 4.4Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3.42Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 3.5Å; L186-S189 PolarHBondContact O-OG 2.8Å; L186-S189 VanDerWaalsContact O-OG 3.09Å; L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 3.47Å; L186-S190 PolarHBondContact O-OG 3.47Å; L186-T209 HydrophobicContact CD2-CG2 4.11Å; L186-L210 HydrophobicContact CD1-CD2 4.4Å; L186-E213 HydrophobicContact CD1-CB 4.08Å; L186-E213 HydrophobicContact CD1-CG 4.06Å; L186-E213 HydrophobicContact CD2-CG 3.96Å |
| 187 | F | 85.5 | Confident | 81 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 176.4 | -83.3 | -119.7 | 0 | 0 | 0 | 112 | L183 I184 S190 W194 I206 L210 M225 I252 V256 F259 | L183-F187 HydrophobicContact CB-CD2 4.3Å; L183-F187 HydrophobicContact CB-CE2 4.32Å; L183-F187 HydrophobicContact CD2-CE2 4.38Å; L183-F187 WeakPolarHBondContact O-CD2 3.37Å; L183-F187 PolarHBondContact O-N 3.44Å; I184-F187 PolarHBondContact O-N 3.32Å; F187-S190 PolarHBondContact O-N 3.01Å; F187-W194 HydrophobicContact CB-CH2 4.36Å; F187-W194 HydrophobicContact CB-CZ2 4.07Å; F187-W194 HydrophobicContact CD1-CE3 4.48Å; F187-W194 AromaticContact CD1-CH2 3.08Å; F187-W194 HydrophobicContact CD1-CH2 3.08Å; F187-W194 AromaticContact CD1-CZ2 3.68Å; F187-W194 HydrophobicContact CD1-CZ2 3.68Å; F187-W194 AromaticContact CD1-CZ3 3.56Å; F187-W194 HydrophobicContact CD1-CZ3 3.56Å; F187-W194 AromaticContact CE1-CH2 3.49Å; F187-W194 HydrophobicContact CE1-CH2 3.49Å; F187-W194 VanDerWaalsContact CE1-CH2 3.49Å; F187-W194 HydrophobicContact CE1-CZ2 4.46Å; F187-W194 AromaticContact CE1-CZ3 3.78Å; F187-W194 HydrophobicContact CE1-CZ3 3.78Å; F187-W194 AromaticContact CG-CH2 3.95Å; F187-W194 HydrophobicContact CG-CH2 3.95Å; F187-W194 HydrophobicContact CG-CZ2 4.15Å; F187-W194 WeakPolarHBondContact O-CZ2 3.41Å; F187-W194 PolarHBondContact O-NE1 3.45Å; F187-I206 HydrophobicContact CB-CD1 4.49Å; F187-I206 HydrophobicContact CD1-CD1 4.33Å; F187-I206 HydrophobicContact CD2-CD1 3.75Å; F187-I206 HydrophobicContact CE1-CG1 4.43Å; F187-I206 HydrophobicContact CE2-CD1 3.99Å; F187-I206 HydrophobicContact CE2-CG1 4.45Å; F187-I206 HydrophobicContact CG-CD1 3.93Å; F187-I206 HydrophobicContact CZ-CD1 4.35Å; F187-I206 HydrophobicContact CZ-CG1 4.35Å; F187-L210 HydrophobicContact CE2-CD1 4.02Å; F187-L210 HydrophobicContact CE2-CD2 4Å; F187-L210 HydrophobicContact CE2-CG 4.49Å; F187-L210 HydrophobicContact CZ-CD1 4.16Å; F187-M225 HydrophobicContact CE1-SD 4.17Å; F187-M225 HydrophobicContact CZ-SD 4.1Å; F187-I252 HydrophobicContact CB-CG2 3.62Å; F187-V256 HydrophobicContact CB-CG2 3.88Å; F187-V256 HydrophobicContact CD1-CG2 3.71Å; F187-V256 HydrophobicContact CD2-CG2 3.78Å; F187-V256 HydrophobicContact CE1-CG2 4.2Å; F187-V256 HydrophobicContact CE2-CG2 4.22Å; F187-V256 HydrophobicContact CG-CG2 3.52Å; F187-V256 HydrophobicContact CZ-CG2 4.43Å; F187-F259 HydrophobicContact CZ-CB 4.35Å; F187-F259 HydrophobicContact CZ-CD1 4.45Å; F187-F259 HydrophobicContact CZ-CD2 4.11Å; F187-F259 HydrophobicContact CZ-CG 4.06Å |
| 188 | Q | 83.7 | Confident | 80 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.7 | -72.4 | 175.1 | -8.5 | 0 | 0 | 113 | I184 S190 I252 | I184-Q188 HydrophobicContact CG2-CG 4.36Å; I184-Q188 VanDerWaalsContact O-CG 3.31Å; I184-Q188 WeakPolarHBondContact O-CG 3.38Å; I184-Q188 PolarHBondContact O-N 3.34Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; Q188-I252 HydrophobicContact CG-CD1 4.13Å; Q188-I252 HydrophobicContact CG-CG2 4.18Å |
| 189 | S | 82.6 | Confident | 79.1 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 47% | 0.469 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78.5 | -11.7 | 179.6 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | P185 L186 S203 | P185-S189 WeakPolarHBondContact O-CB 2.84Å; P185-S189 PolarHBondContact O-N 2.68Å; P185-S189 VanDerWaalsContact O-N 3.08Å; P185-S189 PolarHBondContact O-OG 2.87Å; L186-S189 PolarHBondContact O-OG 2.8Å; L186-S189 VanDerWaalsContact O-OG 3.09Å; S189-S203 WeakPolarHBondContact O-CB 3.29Å |
| 190 | S | 82.5 | Confident | 78 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -110.1 | 158.2 | -173.2 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | L186 F187 Q188 W194 P204 T209 | L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 3.47Å; L186-S190 PolarHBondContact O-OG 3.47Å; F187-S190 PolarHBondContact O-N 3.01Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; S190-W194 PolarHBondContact O-NE1 2.95Å; S190-P204 WeakPolarHBondContact CA-O 3.44Å; S190-T209 VanDerWaalsContact OG-CB 3.29Å; S190-T209 WeakPolarHBondContact OG-CB 3.47Å; S190-T209 WeakPolarHBondContact OG-CG2 3.49Å; S190-T209 PolarHBondContact OG-OG1 2.9Å |
| 191 | K | 81.6 | Confident | 76.9 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 130.4 | 171.6 | -178.9 | -178.8 | 168.8 | -178.6 | 0 | 110.8 | T195 P198 S203 P204 I206 | K191-T195 HydrophobicContact CG-CG2 4.37Å; K191-P198 VanDerWaalsContact CE-CA 3.47Å; K191-P198 VanDerWaalsContact CE-CB 3.46Å; K191-P198 WeakPolarHBondContact CE-O 3.39Å; K191-P198 PolarHBondContact NZ-O 3.43Å; K191-S203 WeakPolarHBondContact CB-OG 3.46Å; K191-S203 PolarHBondContact N-OG 3.17Å; K191-P204 PolarHBondContact N-O 3.02Å; K191-I206 PolarHBondContact O-N 3.47Å |
| 192 | G | 78.8 | Confident | 76.3 | Confident | 14 Ų | 14 | 62 Ų | 62 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -158 | -171.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W194 T195 | G192-W194 PolarHBondContact O-N 2.93Å; G192-T195 PolarHBondContact O-N 3.22Å; G192-T195 PolarHBondContact O-OG1 3.41Å |
| 193 | P | 75.3 | Confident | 75.7 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.2 | 179.2 | -25.4 | 34.1 | 0 | 0 | 0 | 115.2 | Y255 | P193-Y255 HydrophobicContact CB-CE2 4.32Å; P193-Y255 HydrophobicContact CG-CE1 4.49Å |
| 194 | W | 73.8 | Confident | 75.3 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 6% | 0.057 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.4 | 174.7 | 52.3 | 88.4 | 0 | 0 | 0 | 114.2 | F187 S190 G192 I206 M225 I252 Y255 | F187-W194 HydrophobicContact CB-CH2 4.36Å; F187-W194 HydrophobicContact CB-CZ2 4.07Å; F187-W194 HydrophobicContact CD1-CE3 4.48Å; F187-W194 AromaticContact CD1-CH2 3.08Å; F187-W194 HydrophobicContact CD1-CH2 3.08Å; F187-W194 AromaticContact CD1-CZ2 3.68Å; F187-W194 HydrophobicContact CD1-CZ2 3.68Å; F187-W194 AromaticContact CD1-CZ3 3.56Å; F187-W194 HydrophobicContact CD1-CZ3 3.56Å; F187-W194 AromaticContact CE1-CH2 3.49Å; F187-W194 HydrophobicContact CE1-CH2 3.49Å; F187-W194 VanDerWaalsContact CE1-CH2 3.49Å; F187-W194 HydrophobicContact CE1-CZ2 4.46Å; F187-W194 AromaticContact CE1-CZ3 3.78Å; F187-W194 HydrophobicContact CE1-CZ3 3.78Å; F187-W194 AromaticContact CG-CH2 3.95Å; F187-W194 HydrophobicContact CG-CH2 3.95Å; F187-W194 HydrophobicContact CG-CZ2 4.15Å; F187-W194 WeakPolarHBondContact O-CZ2 3.41Å; F187-W194 PolarHBondContact O-NE1 3.45Å; S190-W194 PolarHBondContact O-NE1 2.95Å; G192-W194 PolarHBondContact O-N 2.93Å; W194-I206 HydrophobicContact CH2-CB 4.16Å; W194-I206 HydrophobicContact CH2-CD1 4.29Å; W194-I206 HydrophobicContact CH2-CG1 3.93Å; W194-I206 HydrophobicContact CH2-CG2 4.3Å; W194-I206 HydrophobicContact CZ2-CB 4.3Å; W194-I206 HydrophobicContact CZ2-CD1 4.31Å; W194-I206 HydrophobicContact CZ2-CG1 4.3Å; W194-M225 HydrophobicContact CH2-CE 4.46Å; W194-M225 HydrophobicContact CZ3-CE 4.38Å; W194-I252 HydrophobicContact CB-CG1 4.05Å; W194-I252 HydrophobicContact CD2-CG1 3.96Å; W194-I252 HydrophobicContact CG-CD1 4.21Å; W194-I252 HydrophobicContact CG-CG1 3.58Å; W194-Y255 AromaticContact CE3-CD2 3.75Å; W194-Y255 HydrophobicContact CE3-CD2 3.75Å; W194-Y255 HydrophobicContact CE3-CE2 4.2Å; W194-Y255 AromaticContact CE3-CG 3.99Å; W194-Y255 HydrophobicContact CE3-CG 3.99Å; W194-Y255 HydrophobicContact CZ3-CD1 4.26Å; W194-Y255 HydrophobicContact CZ3-CD2 4.2Å; W194-Y255 AromaticContact CZ3-CG 3.96Å; W194-Y255 HydrophobicContact CZ3-CG 3.96Å |
| 195 | T | 74.8 | Confident | 75.2 | Confident | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.104 | 38% | 0.383 | C | S | . | . | trans | -84.1 | 119.1 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 111 | K191 G192 N197 | K191-T195 HydrophobicContact CG-CG2 4.37Å; G192-T195 PolarHBondContact O-N 3.22Å; G192-T195 PolarHBondContact O-OG1 3.41Å; T195-N197 VanDerWaalsContact C-N 3.35Å; T195-N197 PolarHBondContact O-N 2.96Å | ||
| 196 | S | 65.7 | Low | 75.1 | Confident | 129 Ų | 129 | 62 Ų | 62 | 90% | 0.902 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -66.7 | -30 | -174.7 | 30.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 197 | N | 64.5 | Low | 75 | Confident | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | trans | -131.7 | 95.9 | 172.7 | -164 | -11.7 | 0 | 0 | 0 | 111.4 | T195 Q199 T200 | T195-N197 VanDerWaalsContact C-N 3.35Å; T195-N197 PolarHBondContact O-N 2.96Å; N197-Q199 VanDerWaalsContact C-N 3.26Å; N197-Q199 PolarHBondContact O-N 2.7Å; N197-Q199 PolarHBondContact OD1-N 2.63Å; N197-T200 PolarHBondContact ND2-OG1 3.45Å | ||
| 198 | P | 62.9 | Low | 74.9 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -62.1 | -31.8 | -179.7 | -24.1 | 33.8 | 0 | 0 | 0 | 113 | K191 T200 | K191-P198 VanDerWaalsContact CE-CA 3.47Å; K191-P198 VanDerWaalsContact CE-CB 3.46Å; K191-P198 WeakPolarHBondContact CE-O 3.39Å; K191-P198 PolarHBondContact NZ-O 3.43Å; P198-T200 PolarHBondContact O-N 3.05Å |
| 199 | Q | 64 | Low | 75 | Confident | 186 Ų | 186 | 68.4 Ų | 68.4 | 87% | 0.869 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -76.8 | -23.7 | -169.8 | -69.6 | 179.1 | -7.8 | 0 | 0 | 113.8 | N197 | N197-Q199 VanDerWaalsContact C-N 3.26Å; N197-Q199 PolarHBondContact O-N 2.7Å; N197-Q199 PolarHBondContact OD1-N 2.63Å |
| 200 | T | 60.8 | Low | 75.1 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 63% | 0.632 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -101.8 | 2.6 | -175.9 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | N197 P198 | N197-T200 PolarHBondContact ND2-OG1 3.45Å; P198-T200 PolarHBondContact O-N 3.05Å |
| 201 | C | 63.5 | Low | 75.2 | Confident | 45 Ų | 45 | 67 Ų | 67 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | trans | -102.8 | 114.2 | -174.1 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | S203 | C201-S203 PolarHBondContact O-N 3.32Å; C201-S203 PolarHBondContact SG-OG 3.38Å | ||
| 202 | D | 73.5 | Confident | 75.2 | Confident | 170 Ų | 170 | 67.6 Ų | 67.6 | 91% | 0.909 | 40% | 0.396 | S | S | * | . | trans | -75.5 | -3.5 | 179.6 | -68 | -27.5 | 0 | 0 | 0 | 113.7 | ||||
| 203 | S | 72.2 | Confident | 75.4 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -68.3 | 146 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | S189 K191 C201 | S189-S203 WeakPolarHBondContact O-CB 3.29Å; K191-S203 WeakPolarHBondContact CB-OG 3.46Å; K191-S203 PolarHBondContact N-OG 3.17Å; C201-S203 PolarHBondContact O-N 3.32Å; C201-S203 PolarHBondContact SG-OG 3.38Å |
| 204 | P | 79.4 | Confident | 75.9 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 146.6 | 179.4 | 25.9 | -34.2 | 0 | 0 | 0 | 110.9 | S190 K191 I206 | S190-P204 WeakPolarHBondContact CA-O 3.44Å; K191-P204 PolarHBondContact N-O 3.02Å; P204-I206 PolarHBondContact O-N 3.26Å |
| 205 | S | 83.2 | Confident | 76.3 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -57.3 | 136.1 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | N207 K208 T209 | S205-N207 PolarHBondContact O-N 3.43Å; S205-N207 VanDerWaalsContact O-N 3.09Å; S205-K208 WeakPolarHBondContact O-CA 3.27Å; S205-K208 WeakPolarHBondContact O-CB 3.28Å; S205-K208 PolarHBondContact O-N 3.42Å; S205-T209 PolarHBondContact O-N 3.4Å; S205-T209 PolarHBondContact O-OG1 2.85Å |
| 206 | I | 83.6 | Confident | 76.6 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -50.3 | -38.4 | 179.1 | -176.1 | 65.1 | 0 | 0 | 0 | 112.5 | F187 K191 W194 P204 K208 T209 L210 M225 | F187-I206 HydrophobicContact CB-CD1 4.49Å; F187-I206 HydrophobicContact CD1-CD1 4.33Å; F187-I206 HydrophobicContact CD2-CD1 3.75Å; F187-I206 HydrophobicContact CE1-CG1 4.43Å; F187-I206 HydrophobicContact CE2-CD1 3.99Å; F187-I206 HydrophobicContact CE2-CG1 4.45Å; F187-I206 HydrophobicContact CG-CD1 3.93Å; F187-I206 HydrophobicContact CZ-CD1 4.35Å; F187-I206 HydrophobicContact CZ-CG1 4.35Å; K191-I206 PolarHBondContact O-N 3.47Å; W194-I206 HydrophobicContact CH2-CB 4.16Å; W194-I206 HydrophobicContact CH2-CD1 4.29Å; W194-I206 HydrophobicContact CH2-CG1 3.93Å; W194-I206 HydrophobicContact CH2-CG2 4.3Å; W194-I206 HydrophobicContact CZ2-CB 4.3Å; W194-I206 HydrophobicContact CZ2-CD1 4.31Å; W194-I206 HydrophobicContact CZ2-CG1 4.3Å; P204-I206 PolarHBondContact O-N 3.26Å; I206-K208 VanDerWaalsContact C-N 3.28Å; I206-K208 PolarHBondContact O-N 2.92Å; I206-T209 PolarHBondContact O-N 3.05Å; I206-L210 HydrophobicContact CD1-CD1 3.98Å; I206-L210 HydrophobicContact CD1-CD2 4.37Å; I206-L210 HydrophobicContact CD1-CG 3.84Å; I206-L210 HydrophobicContact CG1-CD1 3.65Å; I206-L210 HydrophobicContact CG1-CG 3.97Å; I206-L210 WeakPolarHBondContact O-CB 3.33Å; I206-L210 WeakPolarHBondContact O-CG 3.4Å; I206-L210 PolarHBondContact O-N 2.7Å; I206-M225 HydrophobicContact CG2-CE 3.79Å |
| 207 | N | 83.1 | Confident | 77.4 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.9 | -71.1 | -12.9 | 0 | 0 | 0 | 111.7 | S205 S211 | S205-N207 PolarHBondContact O-N 3.43Å; S205-N207 VanDerWaalsContact O-N 3.09Å; N207-S211 VanDerWaalsContact O-CB 3.25Å; N207-S211 WeakPolarHBondContact O-CB 3.18Å; N207-S211 PolarHBondContact O-N 3.42Å; N207-S211 PolarHBondContact O-OG 2.99Å |
| 208 | K | 83.7 | Confident | 78.5 | Confident | 161 Ų | 161 | 63.7 Ų | 63.7 | 70% | 0.7 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.9 | -42 | 179.8 | -169 | 178.7 | -179.8 | -177 | 0 | 111.2 | S205 I206 S211 S212 | S205-K208 WeakPolarHBondContact O-CA 3.27Å; S205-K208 WeakPolarHBondContact O-CB 3.28Å; S205-K208 PolarHBondContact O-N 3.42Å; I206-K208 VanDerWaalsContact C-N 3.28Å; I206-K208 PolarHBondContact O-N 2.92Å; K208-S211 PolarHBondContact O-N 3.5Å; K208-S212 PolarHBondContact O-N 3.2Å |
| 209 | T | 85.5 | Confident | 79.7 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -51 | 176.3 | -47 | 0 | 0 | 0 | 0 | 110.8 | L186 S190 S205 I206 S211 S212 E213 | L186-T209 HydrophobicContact CD2-CG2 4.11Å; S190-T209 VanDerWaalsContact OG-CB 3.29Å; S190-T209 WeakPolarHBondContact OG-CB 3.47Å; S190-T209 WeakPolarHBondContact OG-CG2 3.49Å; S190-T209 PolarHBondContact OG-OG1 2.9Å; S205-T209 PolarHBondContact O-N 3.4Å; S205-T209 PolarHBondContact O-OG1 2.85Å; I206-T209 PolarHBondContact O-N 3.05Å; T209-S211 VanDerWaalsContact C-N 3.31Å; T209-S211 PolarHBondContact O-N 3.04Å; T209-S212 WeakPolarHBondContact O-CB 3.49Å; T209-S212 PolarHBondContact O-N 3.02Å; T209-S212 VanDerWaalsContact O-N 3.11Å; T209-E213 PolarHBondContact O-N 3.49Å; T209-E213 VanDerWaalsContact O-N 3.16Å |
| 210 | L | 85.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 178.4 | -69 | 177.4 | 0 | 0 | 0 | 112.4 | L183 L186 F187 I206 S212 E213 L214 I221 F259 | L183-L210 HydrophobicContact CD2-CD2 3.96Å; L186-L210 HydrophobicContact CD1-CD2 4.4Å; F187-L210 HydrophobicContact CE2-CD1 4.02Å; F187-L210 HydrophobicContact CE2-CD2 4Å; F187-L210 HydrophobicContact CE2-CG 4.49Å; F187-L210 HydrophobicContact CZ-CD1 4.16Å; I206-L210 HydrophobicContact CD1-CD1 3.98Å; I206-L210 HydrophobicContact CD1-CD2 4.37Å; I206-L210 HydrophobicContact CD1-CG 3.84Å; I206-L210 HydrophobicContact CG1-CD1 3.65Å; I206-L210 HydrophobicContact CG1-CG 3.97Å; I206-L210 WeakPolarHBondContact O-CB 3.33Å; I206-L210 WeakPolarHBondContact O-CG 3.4Å; I206-L210 PolarHBondContact O-N 2.7Å; L210-S212 PolarHBondContact O-N 3.48Å; L210-E213 PolarHBondContact O-N 3.34Å; L210-L214 HydrophobicContact CB-CD1 4.39Å; L210-L214 HydrophobicContact CD2-CD1 4.11Å; L210-L214 WeakPolarHBondContact O-CA 3.41Å; L210-L214 VanDerWaalsContact O-CB 3.27Å; L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 PolarHBondContact O-N 3.04Å; L210-I221 HydrophobicContact CB-CD1 3.9Å; L210-I221 HydrophobicContact CB-CG1 4.37Å; L210-I221 HydrophobicContact CB-CG2 3.98Å; L210-I221 HydrophobicContact CD1-CG2 3.78Å; L210-F259 HydrophobicContact CD1-CE2 4.01Å; L210-F259 HydrophobicContact CD1-CZ 3.89Å |
| 211 | S | 83.6 | Confident | 82.2 | Confident | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.9 | -25.1 | 177.6 | -57 | 0 | 0 | 0 | 0 | 113 | N207 K208 T209 N218 | N207-S211 VanDerWaalsContact O-CB 3.25Å; N207-S211 WeakPolarHBondContact O-CB 3.18Å; N207-S211 PolarHBondContact O-N 3.42Å; N207-S211 PolarHBondContact O-OG 2.99Å; K208-S211 PolarHBondContact O-N 3.5Å; T209-S211 VanDerWaalsContact C-N 3.31Å; T209-S211 PolarHBondContact O-N 3.04Å; S211-N218 WeakPolarHBondContact CB-OD1 3.49Å; S211-N218 PolarHBondContact OG-OD1 3.24Å |
| 212 | S | 82.8 | Confident | 83.4 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.7 | -46.5 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | R161 K208 T209 L210 | R161-S212 PolarHBondContact NH1-O 3.42Å; R161-S212 PolarHBondContact NH2-O 2.77Å; K208-S212 PolarHBondContact O-N 3.2Å; T209-S212 WeakPolarHBondContact O-CB 3.49Å; T209-S212 PolarHBondContact O-N 3.02Å; T209-S212 VanDerWaalsContact O-N 3.11Å; L210-S212 PolarHBondContact O-N 3.48Å |
| 213 | E | 83.1 | Confident | 84.1 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -84.3 | -28.9 | -172.9 | -61.9 | -50.4 | 137.1 | 0 | 0 | 114.6 | R161 F182 L186 T209 L210 | R161-E213 PolarHBondContact NH2-O 3.1Å; F182-E213 HydrophobicContact CZ-CB 4.38Å; L186-E213 HydrophobicContact CD1-CB 4.08Å; L186-E213 HydrophobicContact CD1-CG 4.06Å; L186-E213 HydrophobicContact CD2-CG 3.96Å; T209-E213 PolarHBondContact O-N 3.49Å; T209-E213 VanDerWaalsContact O-N 3.16Å; L210-E213 PolarHBondContact O-N 3.34Å |
| 214 | L | 84.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | trans | -105 | 122 | -179.3 | -62 | 176 | 0 | 0 | 0 | 111 | F167 F182 L210 Y216 I221 F259 L263 | F167-L214 HydrophobicContact CE2-CD2 4.03Å; F167-L214 HydrophobicContact CZ-CD2 3.97Å; F182-L214 HydrophobicContact CE1-CD2 4.41Å; L210-L214 HydrophobicContact CB-CD1 4.39Å; L210-L214 HydrophobicContact CD2-CD1 4.11Å; L210-L214 WeakPolarHBondContact O-CA 3.41Å; L210-L214 VanDerWaalsContact O-CB 3.27Å; L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 PolarHBondContact O-N 3.04Å; L214-Y216 VanDerWaalsContact C-N 3.28Å; L214-Y216 HydrophobicContact CB-CD2 4.48Å; L214-Y216 PolarHBondContact O-N 3.28Å; L214-I221 HydrophobicContact CB-CD1 4.46Å; L214-I221 HydrophobicContact CD1-CG1 4.4Å; L214-F259 HydrophobicContact CD1-CE1 4.28Å; L214-F259 HydrophobicContact CD1-CZ 4.21Å; L214-L263 HydrophobicContact CD1-CD2 4.3Å | ||
| 215 | P | 82 | Confident | 85.3 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.4 | -176.6 | 30.1 | -33.5 | 0 | 0 | 0 | 114.5 | T7 A97 G217 | T7-P215 WeakPolarHBondContact CB-O 3.37Å; T7-P215 HydrophobicContact CG2-CB 4.4Å; T7-P215 PolarHBondContact OG1-O 3.23Å; A97-P215 HydrophobicContact CB-CB 4.26Å; A97-P215 HydrophobicContact CB-CG 3.72Å; P215-G217 VanDerWaalsContact C-N 3.3Å; P215-G217 PolarHBondContact O-N 3.27Å |
| 216 | Y | 81.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10 | -170.3 | -54.4 | -69.3 | 0 | 0 | 0 | 114.6 | M11 F167 L214 L267 | M11-Y216 HydrophobicContact SD-CE1 4.34Å; F167-Y216 HydrophobicContact CD2-CE2 4.46Å; F167-Y216 HydrophobicContact CE2-CE2 4.34Å; F167-Y216 HydrophobicContact CZ-CE2 4.4Å; L214-Y216 VanDerWaalsContact C-N 3.28Å; L214-Y216 HydrophobicContact CB-CD2 4.48Å; L214-Y216 PolarHBondContact O-N 3.28Å; Y216-L267 HydrophobicContact CD1-CD2 3.7Å; Y216-L267 HydrophobicContact CD2-CD1 4.28Å; Y216-L267 HydrophobicContact CD2-CD2 4.35Å; Y216-L267 HydrophobicContact CE1-CD1 4.38Å; Y216-L267 HydrophobicContact CE1-CD2 3.65Å; Y216-L267 HydrophobicContact CE2-CD1 3.77Å; Y216-L267 HydrophobicContact CE2-CD2 4.31Å; Y216-L267 HydrophobicContact CG-CD2 4.06Å |
| 217 | G | 82.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | trans | 92.9 | 162.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | P215 V219 I220 I221 | P215-G217 VanDerWaalsContact C-N 3.3Å; P215-G217 PolarHBondContact O-N 3.27Å; G217-V219 VanDerWaalsContact C-N 3.28Å; G217-V219 PolarHBondContact O-N 2.77Å; G217-I220 PolarHBondContact O-N 3.4Å; G217-I221 PolarHBondContact O-N 2.62Å | ||
| 218 | N | 87.5 | Confident | 85.9 | Confident | 104 Ų | 104 | 37.4 Ų | 37.4 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -67.7 | -27 | -167.3 | -58.6 | 5.3 | 0 | 0 | 0 | 113.7 | S211 I220 I221 E222 | S211-N218 WeakPolarHBondContact CB-OD1 3.49Å; S211-N218 PolarHBondContact OG-OD1 3.24Å; N218-I220 PolarHBondContact O-N 3.01Å; N218-I221 PolarHBondContact O-N 2.8Å; N218-E222 WeakPolarHBondContact O-CB 3.37Å; N218-E222 PolarHBondContact O-N 3.11Å |
| 219 | V | 88.6 | Confident | 86 | Confident | 35 Ų | 35 | 32.4 Ų | 32.4 | 21% | 0.212 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | G217 H223 F306 Q308 Y309 | G217-V219 VanDerWaalsContact C-N 3.28Å; G217-V219 PolarHBondContact O-N 2.77Å; V219-H223 WeakPolarHBondContact O-CB 3.39Å; V219-H223 PolarHBondContact O-N 2.98Å; V219-F306 HydrophobicContact CG1-CD2 3.49Å; V219-F306 VanDerWaalsContact CG1-CD2 3.49Å; V219-F306 HydrophobicContact CG1-CE2 3.5Å; V219-F306 VanDerWaalsContact CG1-CE2 3.5Å; V219-F306 HydrophobicContact CG1-CG 4.15Å; V219-F306 HydrophobicContact CG1-CZ 4.18Å; V219-Q308 VanDerWaalsContact CG1-NE2 3.32Å; V219-Q308 PolarHBondContact O-NE2 3.42Å; V219-Y309 HydrophobicContact CG1-CE2 3.94Å |
| 220 | I | 88.1 | Confident | 86 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 176.1 | -69.6 | 168.2 | 0 | 0 | 0 | 110.2 | F8 G217 N218 E222 H223 C224 L263 F306 | F8-I220 HydrophobicContact CB-CD1 3.47Å; F8-I220 VanDerWaalsContact CB-CD1 3.47Å; F8-I220 HydrophobicContact CD1-CD1 3.49Å; F8-I220 VanDerWaalsContact CD1-CD1 3.49Å; F8-I220 HydrophobicContact CD1-CG1 4.28Å; F8-I220 HydrophobicContact CD2-CD1 3.67Å; F8-I220 HydrophobicContact CE1-CD1 4.02Å; F8-I220 HydrophobicContact CE2-CD1 4.22Å; F8-I220 HydrophobicContact CG-CD1 3.27Å; F8-I220 HydrophobicContact CG-CG1 4.47Å; F8-I220 HydrophobicContact CZ-CD1 4.37Å; G217-I220 PolarHBondContact O-N 3.4Å; N218-I220 PolarHBondContact O-N 3.01Å; I220-E222 VanDerWaalsContact C-N 3.28Å; I220-E222 PolarHBondContact O-N 3.29Å; I220-H223 WeakPolarHBondContact O-CB 3.44Å; I220-H223 PolarHBondContact O-N 3.31Å; I220-H223 VanDerWaalsContact O-N 3.09Å; I220-C224 PolarHBondContact O-N 2.9Å; I220-C224 PolarHBondContact O-SG 3.4Å; I220-L263 HydrophobicContact CG2-CD1 3.77Å; I220-F306 HydrophobicContact CG1-CE1 4.04Å; I220-F306 HydrophobicContact CG1-CZ 4.04Å |
| 221 | I | 88.3 | Confident | 86 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 179.2 | -63.9 | 167.8 | 0 | 0 | 0 | 110 | L210 L214 G217 N218 H223 C224 M225 | L210-I221 HydrophobicContact CB-CD1 3.9Å; L210-I221 HydrophobicContact CB-CG1 4.37Å; L210-I221 HydrophobicContact CB-CG2 3.98Å; L210-I221 HydrophobicContact CD1-CG2 3.78Å; L214-I221 HydrophobicContact CB-CD1 4.46Å; L214-I221 HydrophobicContact CD1-CG1 4.4Å; G217-I221 PolarHBondContact O-N 2.62Å; N218-I221 PolarHBondContact O-N 2.8Å; I221-H223 PolarHBondContact O-N 2.88Å; I221-C224 PolarHBondContact O-N 2.9Å; I221-M225 HydrophobicContact CG2-CG 4.4Å; I221-M225 WeakPolarHBondContact O-CB 3.48Å; I221-M225 WeakPolarHBondContact O-CG 3.44Å; I221-M225 PolarHBondContact O-N 2.88Å |
| 222 | E | 88.6 | Confident | 85.9 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.9 | -174.4 | 177.5 | 172.9 | 0 | 0 | 112.1 | N218 I220 M225 R226 | N218-E222 WeakPolarHBondContact O-CB 3.37Å; N218-E222 PolarHBondContact O-N 3.11Å; I220-E222 VanDerWaalsContact C-N 3.28Å; I220-E222 PolarHBondContact O-N 3.29Å; E222-M225 PolarHBondContact O-N 3.07Å; E222-R226 HydrophobicContact CG-CG 4.41Å; E222-R226 WeakPolarHBondContact O-CB 3.27Å; E222-R226 WeakPolarHBondContact O-CG 3.41Å; E222-R226 PolarHBondContact O-N 3.21Å; E222-R226 IonicContact OE1-CZ 3.2Å; E222-R226 VanDerWaalsContact OE1-CZ 3.23Å; E222-R226 IonicContact OE1-NE 2.72Å; E222-R226 PolarHBondContact OE1-NE 3.35Å; E222-R226 IonicContact OE1-NH2 2.65Å; E222-R226 PolarHBondContact OE1-NH2 3Å |
| 223 | H | 89.4 | Confident | 85.9 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 177.7 | 177 | 70.1 | 0 | 0 | 0 | 111.6 | V219 I220 I221 M225 R226 V227 I266 F306 E307 | V219-H223 WeakPolarHBondContact O-CB 3.39Å; V219-H223 PolarHBondContact O-N 2.98Å; I220-H223 WeakPolarHBondContact O-CB 3.44Å; I220-H223 PolarHBondContact O-N 3.31Å; I220-H223 VanDerWaalsContact O-N 3.09Å; I221-H223 PolarHBondContact O-N 2.88Å; H223-M225 VanDerWaalsContact C-N 3.28Å; H223-M225 PolarHBondContact O-N 2.9Å; H223-R226 PolarHBondContact O-N 3.44Å; H223-R226 VanDerWaalsContact O-N 3.16Å; H223-V227 WeakPolarHBondContact O-CG2 3.29Å; H223-V227 PolarHBondContact O-N 3.05Å; H223-I266 WeakPolarHBondContact CD2-CD1 3.42Å; H223-F306 HydrophobicContact CB-CB 4.2Å; H223-F306 HydrophobicContact CB-CD1 3.74Å; H223-F306 HydrophobicContact CB-CG 4.3Å; H223-F306 AromaticContact CD2-CD1 3.99Å; H223-F306 AromaticContact CG-CD1 3.6Å; H223-E307 PolarHBondContact CE1-N 3.36Å; H223-E307 PolarHBondContact ND1-N 3.25Å |
| 224 | C | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | I220 I221 V227 A228 F259 V262 | I220-C224 PolarHBondContact O-N 2.9Å; I220-C224 PolarHBondContact O-SG 3.4Å; I221-C224 PolarHBondContact O-N 2.9Å; C224-V227 PolarHBondContact O-N 2.91Å; C224-A228 VanDerWaalsContact O-CB 3.31Å; C224-A228 WeakPolarHBondContact O-CB 3.45Å; C224-A228 PolarHBondContact O-N 3.04Å; C224-F259 HydrophobicContact CB-CD2 3.41Å; C224-F259 VanDerWaalsContact CB-CD2 3.41Å; C224-F259 HydrophobicContact CB-CE2 3.33Å; C224-F259 HydrophobicContact CB-CG 4.08Å; C224-F259 HydrophobicContact CB-CZ 3.96Å; C224-V262 HydrophobicContact CB-CG1 4.33Å |
| 225 | M | 87.4 | Confident | 85.1 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.044 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.1 | -73.9 | -63.7 | -70.1 | 0 | 0 | 112.4 | F187 W194 I206 I221 E222 H223 A228 Q229 F259 | F187-M225 HydrophobicContact CE1-SD 4.17Å; F187-M225 HydrophobicContact CZ-SD 4.1Å; W194-M225 HydrophobicContact CH2-CE 4.46Å; W194-M225 HydrophobicContact CZ3-CE 4.38Å; I206-M225 HydrophobicContact CG2-CE 3.79Å; I221-M225 HydrophobicContact CG2-CG 4.4Å; I221-M225 WeakPolarHBondContact O-CB 3.48Å; I221-M225 WeakPolarHBondContact O-CG 3.44Å; I221-M225 PolarHBondContact O-N 2.88Å; E222-M225 PolarHBondContact O-N 3.07Å; H223-M225 VanDerWaalsContact C-N 3.28Å; H223-M225 PolarHBondContact O-N 2.9Å; M225-A228 PolarHBondContact O-N 3.22Å; M225-Q229 WeakPolarHBondContact O-CB 3.28Å; M225-Q229 WeakPolarHBondContact O-CG 3.44Å; M225-Q229 PolarHBondContact O-N 3.49Å; M225-F259 HydrophobicContact CG-CD2 4.19Å; M225-F259 HydrophobicContact CG-CE2 3.99Å; M225-F259 HydrophobicContact SD-CD2 3.89Å; M225-F259 HydrophobicContact SD-CE2 4.1Å |
| 226 | R | 88 | Confident | 84.5 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -43 | 177.9 | -76.6 | 179.3 | 179.4 | -136.8 | 7.6 | 111.7 | E222 H223 Q229 N230 | E222-R226 HydrophobicContact CG-CG 4.41Å; E222-R226 WeakPolarHBondContact O-CB 3.27Å; E222-R226 WeakPolarHBondContact O-CG 3.41Å; E222-R226 PolarHBondContact O-N 3.21Å; E222-R226 IonicContact OE1-CZ 3.2Å; E222-R226 VanDerWaalsContact OE1-CZ 3.23Å; E222-R226 IonicContact OE1-NE 2.72Å; E222-R226 PolarHBondContact OE1-NE 3.35Å; E222-R226 IonicContact OE1-NH2 2.65Å; E222-R226 PolarHBondContact OE1-NH2 3Å; H223-R226 PolarHBondContact O-N 3.44Å; H223-R226 VanDerWaalsContact O-N 3.16Å; R226-Q229 PolarHBondContact O-N 2.99Å; R226-N230 WeakPolarHBondContact O-CB 3.36Å; R226-N230 VanDerWaalsContact O-CG 3.23Å; R226-N230 PolarHBondContact O-N 3.02Å |
| 227 | V | 88.2 | Confident | 83.7 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | H223 C224 Q229 N230 K231 V262 | H223-V227 WeakPolarHBondContact O-CG2 3.29Å; H223-V227 PolarHBondContact O-N 3.05Å; C224-V227 PolarHBondContact O-N 2.91Å; V227-Q229 PolarHBondContact O-N 2.86Å; V227-N230 PolarHBondContact O-N 3.43Å; V227-K231 HydrophobicContact CG1-CD 4.49Å; V227-K231 PolarHBondContact O-N 3.46Å; V227-V262 HydrophobicContact CB-CG1 4.38Å; V227-V262 HydrophobicContact CB-CG2 4.09Å; V227-V262 HydrophobicContact CG1-CG1 4.5Å; V227-V262 HydrophobicContact CG1-CG2 3.54Å; V227-V262 HydrophobicContact CG2-CG1 4.49Å |
| 228 | A | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C224 M225 N230 K231 I232 Y255 H258 | C224-A228 VanDerWaalsContact O-CB 3.31Å; C224-A228 WeakPolarHBondContact O-CB 3.45Å; C224-A228 PolarHBondContact O-N 3.04Å; M225-A228 PolarHBondContact O-N 3.22Å; A228-N230 VanDerWaalsContact C-N 3.34Å; A228-N230 PolarHBondContact O-N 3.48Å; A228-K231 PolarHBondContact O-N 2.89Å; A228-I232 WeakPolarHBondContact O-CG1 3.42Å; A228-I232 PolarHBondContact O-N 3.07Å; A228-Y255 HydrophobicContact CB-CD1 4.18Å; A228-H258 HydrophobicContact CB-CB 3.93Å |
| 229 | Q | 85.5 | Confident | 80.9 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 174.8 | -75.8 | 175.7 | 7.2 | 0 | 0 | 112.5 | M225 R226 V227 K233 Y255 | M225-Q229 WeakPolarHBondContact O-CB 3.28Å; M225-Q229 WeakPolarHBondContact O-CG 3.44Å; M225-Q229 PolarHBondContact O-N 3.49Å; R226-Q229 PolarHBondContact O-N 2.99Å; V227-Q229 PolarHBondContact O-N 2.86Å; Q229-K233 WeakPolarHBondContact O-CB 3.39Å; Q229-K233 VanDerWaalsContact O-CG 3.29Å; Q229-K233 WeakPolarHBondContact O-CG 3.31Å; Q229-K233 PolarHBondContact O-N 3.44Å; Q229-Y255 HydrophobicContact CB-CE1 4.46Å; Q229-Y255 HydrophobicContact CG-CE1 3.67Å |
| 230 | N | 85.5 | Confident | 79 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 179.4 | -74.6 | -12.1 | 0 | 0 | 0 | 111.7 | R226 V227 A228 I232 K233 Q234 | R226-N230 WeakPolarHBondContact O-CB 3.36Å; R226-N230 VanDerWaalsContact O-CG 3.23Å; R226-N230 PolarHBondContact O-N 3.02Å; V227-N230 PolarHBondContact O-N 3.43Å; A228-N230 VanDerWaalsContact C-N 3.34Å; A228-N230 PolarHBondContact O-N 3.48Å; N230-I232 PolarHBondContact O-N 3.01Å; N230-K233 PolarHBondContact O-N 3.49Å; N230-Q234 WeakPolarHBondContact O-CG 3.46Å; N230-Q234 PolarHBondContact O-N 3.44Å |
| 231 | K | 84.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.5 | -73.8 | -174.7 | 177.1 | -178.5 | 0 | 112 | V227 A228 K233 Q234 M235 H258 | V227-K231 HydrophobicContact CG1-CD 4.49Å; V227-K231 PolarHBondContact O-N 3.46Å; A228-K231 PolarHBondContact O-N 2.89Å; K231-K233 PolarHBondContact O-N 3.35Å; K231-Q234 PolarHBondContact O-N 3.32Å; K231-M235 WeakPolarHBondContact O-CG 3.47Å; K231-M235 PolarHBondContact O-N 3.26Å; K231-H258 HydrophobicContact CD-CB 4.38Å |
| 232 | I | 82.8 | Confident | 75 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 179 | -68.3 | 169.7 | 0 | 0 | 0 | 111.6 | A228 N230 Q234 M235 R236 L254 Y255 | A228-I232 WeakPolarHBondContact O-CG1 3.42Å; A228-I232 PolarHBondContact O-N 3.07Å; N230-I232 PolarHBondContact O-N 3.01Å; I232-Q234 VanDerWaalsContact C-N 3.34Å; I232-Q234 PolarHBondContact O-N 2.92Å; I232-M235 PolarHBondContact O-N 3.01Å; I232-R236 PolarHBondContact O-N 3.19Å; I232-L254 HydrophobicContact CD1-CD2 4.34Å; I232-L254 HydrophobicContact CD1-CG 4.33Å; I232-L254 HydrophobicContact CG1-CD2 3.94Å; I232-L254 HydrophobicContact CG1-CG 4.2Å; I232-Y255 HydrophobicContact CD1-CD1 3.48Å; I232-Y255 VanDerWaalsContact CD1-CD1 3.48Å; I232-Y255 HydrophobicContact CD1-CD2 3.44Å; I232-Y255 VanDerWaalsContact CD1-CD2 3.44Å; I232-Y255 HydrophobicContact CD1-CE1 3.52Å; I232-Y255 HydrophobicContact CD1-CE2 3.49Å; I232-Y255 VanDerWaalsContact CD1-CE2 3.49Å; I232-Y255 HydrophobicContact CD1-CG 3.42Å; I232-Y255 VanDerWaalsContact CD1-CG 3.42Å |
| 233 | K | 81.6 | Confident | 72.9 | Confident | 125 Ų | 125 | 86.8 Ų | 86.8 | 54% | 0.543 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.5 | -76.3 | 174.9 | -178.8 | 177.8 | 0 | 112 | Q229 N230 K231 R236 N237 | Q229-K233 WeakPolarHBondContact O-CB 3.39Å; Q229-K233 VanDerWaalsContact O-CG 3.29Å; Q229-K233 WeakPolarHBondContact O-CG 3.31Å; Q229-K233 PolarHBondContact O-N 3.44Å; N230-K233 PolarHBondContact O-N 3.49Å; K231-K233 PolarHBondContact O-N 3.35Å; K233-R236 PolarHBondContact O-N 3.07Å; K233-N237 PolarHBondContact O-N 2.74Å |
| 234 | Q | 79.5 | Confident | 70.9 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 175.8 | -72.3 | 172 | -1.4 | 0 | 0 | 111.6 | N230 K231 I232 R236 N237 H238 | N230-Q234 WeakPolarHBondContact O-CG 3.46Å; N230-Q234 PolarHBondContact O-N 3.44Å; K231-Q234 PolarHBondContact O-N 3.32Å; I232-Q234 VanDerWaalsContact C-N 3.34Å; I232-Q234 PolarHBondContact O-N 2.92Å; Q234-R236 PolarHBondContact O-N 3.38Å; Q234-N237 PolarHBondContact O-N 3.26Å; Q234-H238 PolarHBondContact O-CD2 2.91Å; Q234-H238 PolarHBondContact O-N 3.24Å |
| 235 | M | 72.3 | Confident | 68.6 | Low | 67 Ų | 67 | 96.2 Ų | 96.2 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 178 | -70.6 | -144.1 | -77.8 | 0 | 0 | 113.4 | K231 I232 N237 H238 L254 H258 | K231-M235 WeakPolarHBondContact O-CG 3.47Å; K231-M235 PolarHBondContact O-N 3.26Å; I232-M235 PolarHBondContact O-N 3.01Å; M235-N237 PolarHBondContact O-N 3.06Å; M235-H238 PolarHBondContact O-N 3.46Å; M235-L254 HydrophobicContact CE-CD1 3.74Å; M235-L254 HydrophobicContact CE-CD2 3.89Å; M235-L254 HydrophobicContact CE-CG 4.18Å; M235-H258 WeakPolarHBondContact CE-NE2 3.31Å |
| 236 | R | 69.5 | Low | 66.7 | Low | 140 Ų | 140 | 100 Ų | 100 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -28 | 173.6 | -75.9 | -175.6 | 177.3 | -176.6 | -0.5 | 113.4 | I232 K233 Q234 | I232-R236 PolarHBondContact O-N 3.19Å; K233-R236 PolarHBondContact O-N 3.07Å; Q234-R236 PolarHBondContact O-N 3.38Å |
| 237 | N | 64.7 | Low | 65.4 | Low | 140 Ų | 140 | 101.6 Ų | 101.6 | 75% | 0.749 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -84.9 | -18.6 | -179.8 | -68.9 | -7.9 | 0 | 0 | 0 | 113.5 | K233 Q234 M235 | K233-N237 PolarHBondContact O-N 2.74Å; Q234-N237 PolarHBondContact O-N 3.26Å; M235-N237 PolarHBondContact O-N 3.06Å |
| 238 | H | 59.3 | Low | 64.4 | Low | 164 Ų | 164 | 106 Ų | 106 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -103.7 | -8.5 | -172.2 | -83.6 | -60.8 | 0 | 0 | 0 | 115.6 | Q234 M235 | Q234-H238 PolarHBondContact O-CD2 2.91Å; Q234-H238 PolarHBondContact O-N 3.24Å; M235-H238 PolarHBondContact O-N 3.46Å |
| 239 | K | 51.5 | Low | 63.6 | Low | 123 Ų | 123 | 108.2 Ų | 108.2 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | trans | -122.2 | 99.9 | 178.8 | -74.7 | -175 | 176.4 | -178.4 | 0 | 110.9 | D241 F242 | K239-D241 PolarHBondContact O-N 3.18Å; K239-F242 HydrophobicContact CB-CB 3.95Å; K239-F242 HydrophobicContact CB-CD2 4.5Å; K239-F242 HydrophobicContact CD-CD2 3.97Å; K239-F242 PolarHBondContact O-N 2.89Å | ||
| 240 | E | 48.6 | Very low | 63.2 | Low | 207 Ų | 207 | 109 Ų | 109 | 97% | 0.967 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.8 | 163.5 | -72.8 | -175.8 | 155.2 | 0 | 0 | 111.8 | ||
| 241 | D | 43.7 | Very low | 62.9 | Low | 155 Ų | 155 | 107.6 Ų | 107.6 | 83% | 0.829 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 15.4 | 174.4 | -75.8 | -27.8 | 0 | 0 | 0 | 114.8 | K239 Q243 | K239-D241 PolarHBondContact O-N 3.18Å; D241-Q243 PolarHBondContact O-N 3.44Å |
| 242 | F | 48.6 | Very low | 62.8 | Low | 91 Ų | 91 | 104.2 Ų | 104.2 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | trans | -81.7 | 67.1 | 174 | -144.7 | -110.2 | 0 | 0 | 0 | 111.1 | K239 L244 | K239-F242 HydrophobicContact CB-CB 3.95Å; K239-F242 HydrophobicContact CB-CD2 4.5Å; K239-F242 HydrophobicContact CD-CD2 3.97Å; K239-F242 PolarHBondContact O-N 2.89Å; F242-L244 HydrophobicContact CD1-CB 4.2Å; F242-L244 HydrophobicContact CD1-CD1 3.7Å; F242-L244 HydrophobicContact CD1-CG 3.93Å; F242-L244 HydrophobicContact CE1-CB 4.34Å; F242-L244 HydrophobicContact CE1-CD1 3.31Å; F242-L244 HydrophobicContact CE1-CG 3.58Å; F242-L244 HydrophobicContact CZ-CD1 4.45Å; F242-L244 HydrophobicContact CZ-CG 4.48Å; F242-L244 PolarHBondContact O-N 2.96Å | ||
| 243 | Q | 43.7 | Very low | 62.9 | Low | 156 Ų | 156 | 108.7 Ų | 108.7 | 73% | 0.729 | 52% | 0.523 | S | S | * | . | trans | -67.9 | 83.9 | 160.9 | -93 | 165.7 | -12.1 | 0 | 0 | 108.4 | D241 Q245 | D241-Q243 PolarHBondContact O-N 3.44Å; Q243-Q245 HydrophobicContact CB-CG 4.32Å; Q243-Q245 PolarHBondContact O-N 3.06Å | ||
| 244 | L | 47.6 | Very low | 63 | Low | 68 Ų | 68 | 104.2 Ų | 104.2 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | trans | -68 | 64.5 | 162.4 | -123.5 | 164.7 | 0 | 0 | 0 | 107.8 | F242 S246 L251 | F242-L244 HydrophobicContact CD1-CB 4.2Å; F242-L244 HydrophobicContact CD1-CD1 3.7Å; F242-L244 HydrophobicContact CD1-CG 3.93Å; F242-L244 HydrophobicContact CE1-CB 4.34Å; F242-L244 HydrophobicContact CE1-CD1 3.31Å; F242-L244 HydrophobicContact CE1-CG 3.58Å; F242-L244 HydrophobicContact CZ-CD1 4.45Å; F242-L244 HydrophobicContact CZ-CG 4.48Å; F242-L244 PolarHBondContact O-N 2.96Å; L244-S246 PolarHBondContact O-N 3.1Å; L244-L251 HydrophobicContact CD1-CD2 3.7Å; L244-L251 HydrophobicContact CD1-CG 4.15Å; L244-L251 HydrophobicContact CD2-CG 4.18Å | ||
| 245 | Q | 40.9 | Very low | 63.3 | Low | 141 Ų | 141 | 99.5 Ų | 99.5 | 66% | 0.659 | 48% | 0.482 | S | S | * | . | trans | -72.3 | 113.8 | 163 | -72.1 | -177.7 | -2.5 | 0 | 0 | 105.8 | Q243 | Q243-Q245 HydrophobicContact CB-CG 4.32Å; Q243-Q245 PolarHBondContact O-N 3.06Å | ||
| 246 | S | 47.3 | Very low | 64 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 62% | 0.622 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 55 | 99.8 | 160.2 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | L244 | L244-S246 PolarHBondContact O-N 3.1Š|
| 247 | E | 61.9 | Low | 64.8 | Low | 130 Ų | 130 | 94.1 Ų | 94.1 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | -173.3 | 167.6 | 67.6 | -82.8 | 173 | 172 | 0 | 0 | 109.6 | T249 D250 | E247-T249 WeakPolarHBondContact CB-OG1 3.39Å; E247-T249 PolarHBondContact O-N 2.72Å; E247-T249 PolarHBondContact OE2-OG1 3.34Å; E247-D250 PolarHBondContact O-N 3.06Å | |||
| 248 | K | 66.9 | Low | 65.9 | Low | 115 Ų | 115 | 88.7 Ų | 88.7 | 50% | 0.5 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -53.4 | -24.4 | 174.3 | 177.8 | -175.7 | 171.6 | -167.8 | 0 | 113 | I252 | K248-I252 HydrophobicContact CG-CD1 4.12Å; K248-I252 WeakPolarHBondContact O-CD1 3.43Å; K248-I252 WeakPolarHBondContact O-CG1 3.3Å |
| 249 | T | 70.6 | Confident | 67.4 | Low | 47 Ų | 47 | 80.9 Ų | 80.9 | 29% | 0.288 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.3 | -48.8 | -178 | 39.1 | 0 | 0 | 0 | 0 | 112.7 | E247 L251 I252 E253 | E247-T249 WeakPolarHBondContact CB-OG1 3.39Å; E247-T249 PolarHBondContact O-N 2.72Å; E247-T249 PolarHBondContact OE2-OG1 3.34Å; T249-L251 VanDerWaalsContact C-N 3.3Å; T249-L251 PolarHBondContact O-N 3.38Å; T249-I252 WeakPolarHBondContact O-CA 3.29Å; T249-I252 WeakPolarHBondContact O-CB 3.47Å; T249-I252 PolarHBondContact O-N 3.5Å; T249-E253 PolarHBondContact O-N 3.23Å |
| 250 | D | 76 | Confident | 69.1 | Low | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | -176 | -59 | -12.3 | 0 | 0 | 0 | 112.6 | E247 I252 E253 L254 | E247-D250 PolarHBondContact O-N 3.06Å; D250-I252 VanDerWaalsContact C-N 3.33Å; D250-E253 PolarHBondContact O-N 3.43Å; D250-L254 WeakPolarHBondContact O-CB 3.09Å; D250-L254 PolarHBondContact O-N 3.34Å; D250-L254 VanDerWaalsContact O-N 3.09Å |
| 251 | L | 79.9 | Confident | 71 | Confident | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 175.4 | -77.4 | 173.9 | 0 | 0 | 0 | 111.5 | L244 T249 Y255 | L244-L251 HydrophobicContact CD1-CD2 3.7Å; L244-L251 HydrophobicContact CD1-CG 4.15Å; L244-L251 HydrophobicContact CD2-CG 4.18Å; T249-L251 VanDerWaalsContact C-N 3.3Å; T249-L251 PolarHBondContact O-N 3.38Å; L251-Y255 VanDerWaalsContact O-CD2 3.25Å; L251-Y255 WeakPolarHBondContact O-CD2 3.29Å; L251-Y255 PolarHBondContact O-N 3.16Å; L251-Y255 VanDerWaalsContact O-N 3.09Å |
| 252 | I | 82.2 | Confident | 73 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.2 | -71.5 | 165.6 | 0 | 0 | 0 | 110 | F187 Q188 W194 K248 T249 D250 L254 Y255 V256 | F187-I252 HydrophobicContact CB-CG2 3.62Å; Q188-I252 HydrophobicContact CG-CD1 4.13Å; Q188-I252 HydrophobicContact CG-CG2 4.18Å; W194-I252 HydrophobicContact CB-CG1 4.05Å; W194-I252 HydrophobicContact CD2-CG1 3.96Å; W194-I252 HydrophobicContact CG-CD1 4.21Å; W194-I252 HydrophobicContact CG-CG1 3.58Å; K248-I252 HydrophobicContact CG-CD1 4.12Å; K248-I252 WeakPolarHBondContact O-CD1 3.43Å; K248-I252 WeakPolarHBondContact O-CG1 3.3Å; T249-I252 WeakPolarHBondContact O-CA 3.29Å; T249-I252 WeakPolarHBondContact O-CB 3.47Å; T249-I252 PolarHBondContact O-N 3.5Å; D250-I252 VanDerWaalsContact C-N 3.33Å; I252-L254 VanDerWaalsContact C-N 3.31Å; I252-L254 PolarHBondContact O-N 3.5Å; I252-Y255 WeakPolarHBondContact O-CB 3.42Å; I252-Y255 PolarHBondContact O-N 3.35Å; I252-V256 HydrophobicContact CG2-CG2 4.3Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.46Å |
| 253 | E | 84 | Confident | 74.9 | Confident | 99 Ų | 99 | 56 Ų | 56 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 179.2 | -70.2 | -179.3 | -173.3 | 0 | 0 | 111.5 | T249 D250 Y255 V256 E257 | T249-E253 PolarHBondContact O-N 3.23Å; D250-E253 PolarHBondContact O-N 3.43Å; E253-Y255 PolarHBondContact O-N 2.84Å; E253-V256 PolarHBondContact O-N 2.86Å; E253-V256 VanDerWaalsContact O-N 3.14Å; E253-E257 PolarHBondContact O-N 3.28Å |
| 254 | L | 84.1 | Confident | 76.9 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.3 | -167.8 | 69.9 | 0 | 0 | 0 | 113.4 | I232 M235 D250 I252 V256 H258 | I232-L254 HydrophobicContact CD1-CD2 4.34Å; I232-L254 HydrophobicContact CD1-CG 4.33Å; I232-L254 HydrophobicContact CG1-CD2 3.94Å; I232-L254 HydrophobicContact CG1-CG 4.2Å; M235-L254 HydrophobicContact CE-CD1 3.74Å; M235-L254 HydrophobicContact CE-CD2 3.89Å; M235-L254 HydrophobicContact CE-CG 4.18Å; D250-L254 WeakPolarHBondContact O-CB 3.09Å; D250-L254 PolarHBondContact O-N 3.34Å; D250-L254 VanDerWaalsContact O-N 3.09Å; I252-L254 VanDerWaalsContact C-N 3.31Å; I252-L254 PolarHBondContact O-N 3.5Å; L254-V256 VanDerWaalsContact C-N 3.32Å; L254-H258 PolarHBondContact O-N 3.4Å |
| 255 | Y | 85.6 | Confident | 78.6 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173 | -95.4 | -75.5 | 0 | 0 | 0 | 111.2 | P193 W194 A228 Q229 I232 L251 I252 E253 F259 | P193-Y255 HydrophobicContact CB-CE2 4.32Å; P193-Y255 HydrophobicContact CG-CE1 4.49Å; W194-Y255 AromaticContact CE3-CD2 3.75Å; W194-Y255 HydrophobicContact CE3-CD2 3.75Å; W194-Y255 HydrophobicContact CE3-CE2 4.2Å; W194-Y255 AromaticContact CE3-CG 3.99Å; W194-Y255 HydrophobicContact CE3-CG 3.99Å; W194-Y255 HydrophobicContact CZ3-CD1 4.26Å; W194-Y255 HydrophobicContact CZ3-CD2 4.2Å; W194-Y255 AromaticContact CZ3-CG 3.96Å; W194-Y255 HydrophobicContact CZ3-CG 3.96Å; A228-Y255 HydrophobicContact CB-CD1 4.18Å; Q229-Y255 HydrophobicContact CB-CE1 4.46Å; Q229-Y255 HydrophobicContact CG-CE1 3.67Å; I232-Y255 HydrophobicContact CD1-CD1 3.48Å; I232-Y255 VanDerWaalsContact CD1-CD1 3.48Å; I232-Y255 HydrophobicContact CD1-CD2 3.44Å; I232-Y255 VanDerWaalsContact CD1-CD2 3.44Å; I232-Y255 HydrophobicContact CD1-CE1 3.52Å; I232-Y255 HydrophobicContact CD1-CE2 3.49Å; I232-Y255 VanDerWaalsContact CD1-CE2 3.49Å; I232-Y255 HydrophobicContact CD1-CG 3.42Å; I232-Y255 VanDerWaalsContact CD1-CG 3.42Å; L251-Y255 VanDerWaalsContact O-CD2 3.25Å; L251-Y255 WeakPolarHBondContact O-CD2 3.29Å; L251-Y255 PolarHBondContact O-N 3.16Å; L251-Y255 VanDerWaalsContact O-N 3.09Å; I252-Y255 WeakPolarHBondContact O-CB 3.42Å; I252-Y255 PolarHBondContact O-N 3.35Å; E253-Y255 PolarHBondContact O-N 2.84Å; Y255-F259 WeakPolarHBondContact O-CB 3.48Å; Y255-F259 PolarHBondContact O-N 3.48Å |
| 256 | V | 87.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | -179.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | E180 L183 I184 F187 I252 E253 L254 H258 F259 A260 | E180-V256 HydrophobicContact CB-CG1 4.13Å; E180-V256 HydrophobicContact CG-CG1 4.14Å; L183-V256 HydrophobicContact CB-CG1 3.67Å; L183-V256 HydrophobicContact CB-CG2 4.35Å; L183-V256 HydrophobicContact CD1-CG1 4.33Å; I184-V256 HydrophobicContact CG1-CB 4.38Å; I184-V256 HydrophobicContact CG1-CG1 4.03Å; I184-V256 HydrophobicContact CG1-CG2 4.34Å; F187-V256 HydrophobicContact CB-CG2 3.88Å; F187-V256 HydrophobicContact CD1-CG2 3.71Å; F187-V256 HydrophobicContact CD2-CG2 3.78Å; F187-V256 HydrophobicContact CE1-CG2 4.2Å; F187-V256 HydrophobicContact CE2-CG2 4.22Å; F187-V256 HydrophobicContact CG-CG2 3.52Å; F187-V256 HydrophobicContact CZ-CG2 4.43Å; I252-V256 HydrophobicContact CG2-CG2 4.3Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.46Å; E253-V256 PolarHBondContact O-N 2.86Å; E253-V256 VanDerWaalsContact O-N 3.14Å; L254-V256 VanDerWaalsContact C-N 3.32Å; V256-H258 PolarHBondContact O-N 2.75Å; V256-F259 PolarHBondContact O-N 3.33Å; V256-A260 VanDerWaalsContact O-CB 3.24Å; V256-A260 WeakPolarHBondContact O-CB 2.98Å; V256-A260 PolarHBondContact O-N 3.42Å |
| 257 | E | 87.3 | Confident | 82.4 | Confident | 93 Ų | 93 | 40.6 Ų | 40.6 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.8 | -52.8 | 178.2 | -177.5 | -174.4 | 176.8 | 0 | 0 | 111 | E180 E253 F259 A260 V261 | E180-E257 WeakPolarHBondContact OE1-CA 3.17Å; E253-E257 PolarHBondContact O-N 3.28Å; E257-F259 PolarHBondContact O-N 3.38Å; E257-A260 PolarHBondContact O-N 3.24Å; E257-V261 VanDerWaalsContact O-CG2 3.29Å; E257-V261 WeakPolarHBondContact O-CG2 3.41Å; E257-V261 PolarHBondContact O-N 3.2Å; E257-V261 VanDerWaalsContact O-N 3.07Å |
| 258 | H | 87.5 | Confident | 83.3 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -35.6 | 179 | -72.9 | -36.6 | 0 | 0 | 0 | 113.4 | A228 K231 M235 L254 V256 V262 | A228-H258 HydrophobicContact CB-CB 3.93Å; K231-H258 HydrophobicContact CD-CB 4.38Å; M235-H258 WeakPolarHBondContact CE-NE2 3.31Å; L254-H258 PolarHBondContact O-N 3.4Å; V256-H258 PolarHBondContact O-N 2.75Å; H258-V262 VanDerWaalsContact O-CG2 3.23Å; H258-V262 WeakPolarHBondContact O-CG2 3.04Å; H258-V262 PolarHBondContact O-N 3.32Å |
| 259 | F | 89.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.2 | -178.2 | -80 | 0 | 0 | 0 | 111.2 | L183 F187 L210 L214 C224 M225 Y255 V256 E257 V262 L263 | L183-F259 HydrophobicContact CD1-CD1 3.51Å; L183-F259 HydrophobicContact CD1-CE1 3.85Å; L183-F259 HydrophobicContact CD2-CE1 4.3Å; F187-F259 HydrophobicContact CZ-CB 4.35Å; F187-F259 HydrophobicContact CZ-CD1 4.45Å; F187-F259 HydrophobicContact CZ-CD2 4.11Å; F187-F259 HydrophobicContact CZ-CG 4.06Å; L210-F259 HydrophobicContact CD1-CE2 4.01Å; L210-F259 HydrophobicContact CD1-CZ 3.89Å; L214-F259 HydrophobicContact CD1-CE1 4.28Å; L214-F259 HydrophobicContact CD1-CZ 4.21Å; C224-F259 HydrophobicContact CB-CD2 3.41Å; C224-F259 VanDerWaalsContact CB-CD2 3.41Å; C224-F259 HydrophobicContact CB-CE2 3.33Å; C224-F259 HydrophobicContact CB-CG 4.08Å; C224-F259 HydrophobicContact CB-CZ 3.96Å; M225-F259 HydrophobicContact CG-CD2 4.19Å; M225-F259 HydrophobicContact CG-CE2 3.99Å; M225-F259 HydrophobicContact SD-CD2 3.89Å; M225-F259 HydrophobicContact SD-CE2 4.1Å; Y255-F259 WeakPolarHBondContact O-CB 3.48Å; Y255-F259 PolarHBondContact O-N 3.48Å; V256-F259 PolarHBondContact O-N 3.33Å; E257-F259 PolarHBondContact O-N 3.38Å; F259-V262 PolarHBondContact O-N 2.98Å; F259-L263 HydrophobicContact CE1-CB 4.38Å; F259-L263 HydrophobicContact CE1-CD2 3.89Å; F259-L263 VanDerWaalsContact O-CB 3.29Å; F259-L263 WeakPolarHBondContact O-CB 3.48Å; F259-L263 PolarHBondContact O-N 3.02Å |
| 260 | A | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I179 E180 L183 V256 E257 L263 R264 | I179-A260 HydrophobicContact CB-CB 4.47Å; I179-A260 HydrophobicContact CG2-CB 3.76Å; E180-A260 HydrophobicContact CG-CB 3.76Å; L183-A260 HydrophobicContact CD1-CB 4.31Å; V256-A260 VanDerWaalsContact O-CB 3.24Å; V256-A260 WeakPolarHBondContact O-CB 2.98Å; V256-A260 PolarHBondContact O-N 3.42Å; E257-A260 PolarHBondContact O-N 3.24Å; A260-L263 PolarHBondContact O-N 3.02Å; A260-R264 VanDerWaalsContact O-CB 3.26Å; A260-R264 WeakPolarHBondContact O-CB 3.38Å; A260-R264 PolarHBondContact O-N 2.9Å |
| 261 | V | 87.6 | Confident | 83.6 | Confident | 37 Ų | 37 | 32.5 Ų | 32.5 | 22% | 0.224 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.8 | -53.6 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | L176 E257 L263 R264 D265 | L176-V261 HydrophobicContact CD1-CG2 3.82Å; E257-V261 VanDerWaalsContact O-CG2 3.29Å; E257-V261 WeakPolarHBondContact O-CG2 3.41Å; E257-V261 PolarHBondContact O-N 3.2Å; E257-V261 VanDerWaalsContact O-N 3.07Å; V261-L263 PolarHBondContact O-N 3.31Å; V261-R264 PolarHBondContact O-N 3.28Å; V261-D265 WeakPolarHBondContact O-CB 3.27Å; V261-D265 PolarHBondContact O-N 3.23Å |
| 262 | V | 87.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | -176.4 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | C224 V227 H258 F259 D265 I266 | C224-V262 HydrophobicContact CB-CG1 4.33Å; V227-V262 HydrophobicContact CB-CG1 4.38Å; V227-V262 HydrophobicContact CB-CG2 4.09Å; V227-V262 HydrophobicContact CG1-CG1 4.5Å; V227-V262 HydrophobicContact CG1-CG2 3.54Å; V227-V262 HydrophobicContact CG2-CG1 4.49Å; H258-V262 VanDerWaalsContact O-CG2 3.23Å; H258-V262 WeakPolarHBondContact O-CG2 3.04Å; H258-V262 PolarHBondContact O-N 3.32Å; F259-V262 PolarHBondContact O-N 2.98Å; V262-D265 PolarHBondContact O-N 3.34Å; V262-I266 HydrophobicContact CG1-CD1 3.73Å; V262-I266 WeakPolarHBondContact O-CD1 3.3Å; V262-I266 VanDerWaalsContact O-CG1 3.28Å; V262-I266 WeakPolarHBondContact O-CG1 3.22Å; V262-I266 PolarHBondContact O-N 2.84Å; V262-I266 VanDerWaalsContact O-N 3.09Å |
| 263 | L | 86.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 177.2 | -179.3 | 63 | 0 | 0 | 0 | 111.3 | F167 L214 I220 F259 A260 V261 L267 | F167-L263 HydrophobicContact CE1-CD2 3.88Å; F167-L263 HydrophobicContact CE1-CG 4.37Å; F167-L263 HydrophobicContact CZ-CD2 3.9Å; L214-L263 HydrophobicContact CD1-CD2 4.3Å; I220-L263 HydrophobicContact CG2-CD1 3.77Å; F259-L263 HydrophobicContact CE1-CB 4.38Å; F259-L263 HydrophobicContact CE1-CD2 3.89Å; F259-L263 VanDerWaalsContact O-CB 3.29Å; F259-L263 WeakPolarHBondContact O-CB 3.48Å; F259-L263 PolarHBondContact O-N 3.02Å; A260-L263 PolarHBondContact O-N 3.02Å; V261-L263 PolarHBondContact O-N 3.31Å; L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 3.99Å; L263-L267 WeakPolarHBondContact O-CB 3.37Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.83Å; L263-L267 VanDerWaalsContact O-N 3.08Å |
| 264 | R | 85.6 | Confident | 80 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.4 | 174.5 | 178.3 | 176 | -97.7 | 1.4 | 111.2 | L170 K171 I179 A260 V261 I266 L267 L268 | L170-R264 HydrophobicContact CD2-CG 4.08Å; L170-R264 VanDerWaalsContact O-CZ 3.3Å; L170-R264 PolarHBondContact O-NE 2.86Å; L170-R264 PolarHBondContact O-NH2 3.37Å; K171-R264 PolarHBondContact O-NH2 3.48Å; I179-R264 HydrophobicContact CD1-CB 4.39Å; A260-R264 VanDerWaalsContact O-CB 3.26Å; A260-R264 WeakPolarHBondContact O-CB 3.38Å; A260-R264 PolarHBondContact O-N 2.9Å; V261-R264 PolarHBondContact O-N 3.28Å; R264-I266 PolarHBondContact O-N 2.87Å; R264-L267 PolarHBondContact O-N 3.04Å; R264-L268 HydrophobicContact CG-CD1 3.72Å; R264-L268 HydrophobicContact CG-CG 4.37Å; R264-L268 WeakPolarHBondContact O-CB 3.4Å; R264-L268 WeakPolarHBondContact O-CG 3.37Å; R264-L268 PolarHBondContact O-N 3Å |
| 265 | D | 83.9 | Confident | 78.5 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -44.6 | -177.6 | -67.8 | -15.3 | 0 | 0 | 0 | 111.4 | V261 V262 L267 L268 E269 | V261-D265 WeakPolarHBondContact O-CB 3.27Å; V261-D265 PolarHBondContact O-N 3.23Å; V262-D265 PolarHBondContact O-N 3.34Å; D265-L267 PolarHBondContact O-N 3.38Å; D265-L268 PolarHBondContact O-N 2.91Å; D265-E269 PolarHBondContact O-N 3.29Å |
| 266 | I | 84.9 | Confident | 76.9 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 178.1 | -69.2 | 167.9 | 0 | 0 | 0 | 112.2 | F8 H223 V262 R264 L268 P270 | F8-I266 HydrophobicContact CE1-CG2 4.21Å; F8-I266 HydrophobicContact CE2-CG2 3.86Å; F8-I266 HydrophobicContact CZ-CG2 3.48Å; F8-I266 VanDerWaalsContact CZ-CG2 3.48Å; H223-I266 WeakPolarHBondContact CD2-CD1 3.42Å; V262-I266 HydrophobicContact CG1-CD1 3.73Å; V262-I266 WeakPolarHBondContact O-CD1 3.3Å; V262-I266 VanDerWaalsContact O-CG1 3.28Å; V262-I266 WeakPolarHBondContact O-CG1 3.22Å; V262-I266 PolarHBondContact O-N 2.84Å; V262-I266 VanDerWaalsContact O-N 3.09Å; R264-I266 PolarHBondContact O-N 2.87Å; I266-L268 VanDerWaalsContact C-N 3.32Å; I266-P270 WeakPolarHBondContact O-CD 3.44Å |
| 267 | L | 83.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.7 | -24 | 178.4 | -67.4 | 177.1 | 0 | 0 | 0 | 112.6 | F8 M11 F167 L170 Y216 L263 R264 D265 | F8-L267 HydrophobicContact CD2-CD2 4.01Å; F8-L267 HydrophobicContact CE2-CD2 4.12Å; M11-L267 HydrophobicContact CE-CB 4.46Å; M11-L267 HydrophobicContact CE-CD2 4.35Å; M11-L267 VanDerWaalsContact CE-O 3.31Å; M11-L267 WeakPolarHBondContact CE-O 3.2Å; M11-L267 HydrophobicContact SD-CD2 4.06Å; F167-L267 HydrophobicContact CD1-CD1 3.76Å; F167-L267 HydrophobicContact CE1-CD1 3.82Å; L170-L267 HydrophobicContact CD1-CB 3.86Å; Y216-L267 HydrophobicContact CD1-CD2 3.7Å; Y216-L267 HydrophobicContact CD2-CD1 4.28Å; Y216-L267 HydrophobicContact CD2-CD2 4.35Å; Y216-L267 HydrophobicContact CE1-CD1 4.38Å; Y216-L267 HydrophobicContact CE1-CD2 3.65Å; Y216-L267 HydrophobicContact CE2-CD1 3.77Å; Y216-L267 HydrophobicContact CE2-CD2 4.31Å; Y216-L267 HydrophobicContact CG-CD2 4.06Å; L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 3.99Å; L263-L267 WeakPolarHBondContact O-CB 3.37Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.83Å; L263-L267 VanDerWaalsContact O-N 3.08Å; R264-L267 PolarHBondContact O-N 3.04Å; D265-L267 PolarHBondContact O-N 3.38Å |
| 268 | L | 80.3 | Confident | 74.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.3 | -32.5 | 176.9 | -81.8 | 174.5 | 0 | 0 | 0 | 113.5 | L170 K171 R264 D265 I266 P270 F271 L272 | L170-L268 HydrophobicContact CB-CD1 4.29Å; L170-L268 HydrophobicContact CB-CD2 3.36Å; L170-L268 HydrophobicContact CB-CG 3.76Å; L170-L268 HydrophobicContact CD1-CD2 4.41Å; L170-L268 HydrophobicContact CD1-CG 4.47Å; L170-L268 HydrophobicContact CG-CD2 4.49Å; K171-L268 HydrophobicContact CG-CD2 4.21Å; R264-L268 HydrophobicContact CG-CD1 3.72Å; R264-L268 HydrophobicContact CG-CG 4.37Å; R264-L268 WeakPolarHBondContact O-CB 3.4Å; R264-L268 WeakPolarHBondContact O-CG 3.37Å; R264-L268 PolarHBondContact O-N 3Å; D265-L268 PolarHBondContact O-N 2.91Å; I266-L268 VanDerWaalsContact C-N 3.32Å; L268-P270 VanDerWaalsContact C-N 3.31Å; L268-F271 PolarHBondContact O-N 3.47Å; L268-L272 HydrophobicContact CB-CD1 3.83Å; L268-L272 HydrophobicContact CB-CG 4.23Å; L268-L272 PolarHBondContact O-N 3Å |
| 269 | E | 77.6 | Confident | 73.3 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -47.3 | -44.3 | -176.4 | -170.6 | 177.4 | -175.5 | 0 | 0 | 113.9 | D265 F271 L272 C273 F304 | D265-E269 PolarHBondContact O-N 3.29Å; E269-F271 PolarHBondContact O-N 3.01Å; E269-F271 VanDerWaalsContact O-N 3.1Å; E269-L272 PolarHBondContact O-N 3.07Å; E269-C273 PolarHBondContact O-N 2.97Å; E269-C273 PolarHBondContact O-SG 3.31Å; E269-F304 WeakPolarHBondContact OE2-CD2 3.25Å; E269-F304 WeakPolarHBondContact OE2-CE2 3.37Å |
| 270 | P | 72.2 | Confident | 72.9 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 5% | 0.045 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.6 | -14.6 | -179.7 | -20.1 | 34.8 | 0 | 0 | 0 | 114.6 | V12 S15 I266 L268 | V12-P270 HydrophobicContact CG2-CB 4.37Å; V12-P270 HydrophobicContact CG2-CG 3.78Å; S15-P270 PolarHBondContact OG-O 3.39Å; I266-P270 WeakPolarHBondContact O-CD 3.44Å; L268-P270 VanDerWaalsContact C-N 3.31Å |
| 271 | F | 70.5 | Confident | 72.8 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -110.7 | -18.7 | -178.9 | -55.8 | -69.7 | 0 | 0 | 0 | 113.9 | M11 L268 E269 | M11-F271 HydrophobicContact CE-CD2 4.23Å; M11-F271 HydrophobicContact CE-CE2 3.2Å; M11-F271 HydrophobicContact CE-CZ 3.67Å; L268-F271 PolarHBondContact O-N 3.47Å; E269-F271 PolarHBondContact O-N 3.01Å; E269-F271 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 63.8 | Low | 73 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -84.2 | -17.1 | 177 | -70.6 | 176.9 | 0 | 0 | 0 | 112.9 | L268 E269 D274 | L268-L272 HydrophobicContact CB-CD1 3.83Å; L268-L272 HydrophobicContact CB-CG 4.23Å; L268-L272 PolarHBondContact O-N 3Å; E269-L272 PolarHBondContact O-N 3.07Å; L272-D274 PolarHBondContact O-N 3.34Å |
| 273 | C | 55 | Low | 73.1 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -54.5 | 98 | 168.4 | -77.7 | 0 | 0 | 0 | 0 | 110.4 | E269 A277 | E269-C273 PolarHBondContact O-N 2.97Å; E269-C273 PolarHBondContact O-SG 3.31Å; C273-A277 WeakPolarHBondContact CB-O 3.21Å; C273-A277 PolarHBondContact SG-O 3.41Å | ||
| 274 | D | 51.1 | Low | 73.2 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 73% | 0.733 | 31% | 0.31 | S | S | * | . | trans | -52 | 153.2 | 165.3 | -119.7 | -20.7 | 0 | 0 | 0 | 108.5 | L272 Q276 A277 | L272-D274 PolarHBondContact O-N 3.34Å; D274-Q276 PolarHBondContact O-N 3.34Å; D274-A277 PolarHBondContact O-N 3.46Å | ||
| 275 | R | 52 | Low | 73.2 | Confident | 245 Ų | 245 | 61.7 Ų | 61.7 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -11.2 | -169.3 | -72.2 | -176.9 | 176.5 | 177.2 | 0.9 | 116.7 | ||
| 276 | Q | 51.8 | Low | 73.1 | Confident | 191 Ų | 191 | 63.6 Ų | 63.6 | 89% | 0.893 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -23.4 | -178 | -63.9 | -180 | -8.8 | 0 | 0 | 115.2 | D274 | D274-Q276 PolarHBondContact O-N 3.34Š|
| 277 | A | 56.7 | Low | 72.6 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | trans | -103.4 | 105.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C273 D274 | C273-A277 WeakPolarHBondContact CB-O 3.21Å; C273-A277 PolarHBondContact SG-O 3.41Å; D274-A277 PolarHBondContact O-N 3.46Å | ||
| 278 | T | 62.1 | Low | 71.5 | Confident | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 146.5 | 173.7 | 45.4 | 0 | 0 | 0 | 0 | 111 | E16 H280 D318 | E16-T278 HydrophobicContact CG-CG2 4.43Å; T278-H280 PolarHBondContact O-N 3.42Å; T278-D318 PolarHBondContact OG1-O 3.38Å |
| 279 | P | 68.3 | Low | 70.5 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 9% | 0.091 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.2 | 172.5 | 24.6 | -31.9 | 0 | 0 | 0 | 109.5 | V12 S319 F320 | V12-P279 HydrophobicContact CG1-CB 4.34Å; V12-P279 HydrophobicContact CG1-CG 3.75Å; P279-S319 WeakPolarHBondContact O-CA 3.14Å; P279-F320 PolarHBondContact O-N 3.21Å; P279-F320 VanDerWaalsContact O-N 3.17Å |
| 280 | H | 81.3 | Confident | 69.4 | Low | 104 Ų | 104 | 81.7 Ų | 81.7 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.7 | -179.5 | -68.6 | 80 | 0 | 0 | 0 | 110.5 | T278 Y282 P303 F317 | T278-H280 PolarHBondContact O-N 3.42Å; H280-Y282 HydrophobicContact CB-CE2 3.87Å; H280-P303 CarbonylContact O-C 3.35Å; H280-P303 VanDerWaalsContact O-C 3.31Å; H280-F317 CarbonylContact C-O 3.52Å; H280-F317 WeakPolarHBondContact CA-O 3.45Å |
| 281 | G | 86.5 | Confident | 68.1 | Low | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A316 F317 | G281-A316 CarbonylContact O-C 3.48Å; G281-F317 PolarHBondContact N-O 3.5Å; G281-F317 PolarHBondContact O-N 3.39Å |
| 282 | Y | 90.2 | Very high | 67 | Low | 46 Ų | 46 | 88.1 Ų | 88.1 | 18% | 0.18 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133 | 177 | -60.1 | -89 | 0 | 0 | 0 | 111.3 | H280 F284 F301 H302 M305 H314 L315 A316 | H280-Y282 HydrophobicContact CB-CE2 3.87Å; Y282-F284 HydrophobicContact CG-CZ 4.47Å; Y282-F301 CarbonylContact O-C 3.57Å; Y282-F301 VanDerWaalsContact O-CA 3.24Å; Y282-F301 WeakPolarHBondContact O-CA 3.46Å; Y282-H302 PolarHBondContact N-O 2.97Å; Y282-H302 PolarHBondContact O-N 3.44Å; Y282-M305 HydrophobicContact CD1-SD 3.92Å; Y282-M305 HydrophobicContact CD2-CB 4.35Å; Y282-M305 HydrophobicContact CE1-CB 4.34Å; Y282-M305 HydrophobicContact CE1-SD 4.14Å; Y282-M305 HydrophobicContact CE2-CB 3.95Å; Y282-M305 HydrophobicContact CG-SD 4.22Å; Y282-H314 AromaticContact CD1-CD2 3.99Å; Y282-L315 WeakPolarHBondContact CA-O 3.11Å; Y282-A316 HydrophobicContact CD1-CB 4.08Å; Y282-A316 HydrophobicContact CE1-CB 3.89Å |
| 283 | I | 90.1 | Very high | 66.7 | Low | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.3 | 169.9 | -58.5 | 177.1 | 0 | 0 | 0 | 108.7 | L295 Y298 H314 L315 F317 A323 A326 Y327 | I283-L295 HydrophobicContact CG2-CD1 4.18Å; I283-Y298 HydrophobicContact CD1-CE2 4.22Å; I283-Y298 HydrophobicContact CG2-CD1 3.99Å; I283-Y298 HydrophobicContact CG2-CD2 4.18Å; I283-Y298 HydrophobicContact CG2-CE1 4.46Å; I283-Y298 HydrophobicContact CG2-CG 3.84Å; I283-H314 CarbonylContact O-C 3.51Å; I283-H314 WeakPolarHBondContact O-CA 3.43Å; I283-L315 HydrophobicContact CB-CB 4.42Å; I283-L315 PolarHBondContact N-O 3.26Å; I283-L315 PolarHBondContact O-N 3.04Å; I283-F317 HydrophobicContact CB-CE2 4.27Å; I283-F317 HydrophobicContact CD1-CD2 4.22Å; I283-F317 HydrophobicContact CD1-CE2 3.3Å; I283-F317 HydrophobicContact CD1-CZ 3.65Å; I283-F317 HydrophobicContact CG1-CD2 4.21Å; I283-F317 HydrophobicContact CG1-CE2 3.64Å; I283-F317 HydrophobicContact CG1-CZ 4.47Å; I283-A323 VanDerWaalsContact CD1-O 3.3Å; I283-A323 WeakPolarHBondContact CD1-O 3.48Å; I283-A323 HydrophobicContact CG1-CB 4.1Å; I283-A326 HydrophobicContact CD1-CB 4.3Å; I283-Y327 HydrophobicContact CG2-CD2 3.92Å |
| 284 | F | 89.7 | Confident | 67.1 | Low | 4 Ų | 4 | 91.8 Ų | 91.8 | 2% | 0.018 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.8 | 177.6 | -59.1 | -86.7 | 0 | 0 | 0 | 110.7 | Y282 E299 E300 H302 M305 Y309 K312 H314 | Y282-F284 HydrophobicContact CG-CZ 4.47Å; F284-E299 PolarHBondContact O-N 3.41Å; F284-E300 PolarHBondContact N-O 3.09Å; F284-E300 PolarHBondContact O-N 2.8Å; F284-H302 AromaticContact CD2-CD2 3.83Å; F284-H302 HydrophobicContact CE2-CB 4.27Å; F284-H302 AromaticContact CE2-CD2 3.72Å; F284-M305 HydrophobicContact CE1-CE 3.79Å; F284-M305 HydrophobicContact CE1-SD 3.88Å; F284-M305 HydrophobicContact CZ-CE 4.12Å; F284-M305 HydrophobicContact CZ-SD 3.62Å; F284-Y309 HydrophobicContact CD1-CG 4.45Å; F284-Y309 HydrophobicContact CE1-CG 4.29Å; F284-Y309 HydrophobicContact CE2-CG 4.44Å; F284-Y309 HydrophobicContact CZ-CG 4.28Å; F284-K312 HydrophobicContact CD1-CB 4.15Å; F284-H314 HydrophobicContact CD1-CB 3.56Å; F284-H314 HydrophobicContact CE1-CB 3.55Å; F284-H314 HydrophobicContact CG-CB 4.38Å; F284-H314 HydrophobicContact CZ-CB 4.36Å |
| 285 | G | 85.9 | Confident | 67.9 | Low | 8 Ų | 8 | 86.1 Ų | 86.1 | 8% | 0.082 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | -157.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N297 P313 | G285-N297 WeakPolarHBondContact CA-O 3.17Å; G285-P313 PolarHBondContact N-O 3.3Å; G285-P313 WeakPolarHBondContact O-CG 3.25Å |
| 286 | K | 81.7 | Confident | 68.9 | Low | 123 Ų | 123 | 81.9 Ų | 81.9 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.5 | 171.5 | -68.1 | 179.2 | 176.2 | 172.8 | 0 | 109.9 | R296 N297 E299 | K286-R296 PolarHBondContact O-N 3.09Å; K286-N297 PolarHBondContact N-O 3.1Å; K286-E299 WeakPolarHBondContact CE-OE1 3.35Å; K286-E299 IonicContact NZ-OE1 3.7Å |
| 287 | S | 73.8 | Confident | 70.3 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 156.2 | 176 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 288 | Y | 61.4 | Low | 71.7 | Confident | 113 Ų | 113 | 75.7 Ų | 75.7 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.9 | 158.1 | -74.9 | -84.2 | 0 | 0 | 0 | 109 | S290 G294 R296 | Y288-S290 PolarHBondContact O-N 3.31Å; Y288-G294 WeakPolarHBondContact CD2-O 3.34Å; Y288-R296 HydrophobicContact CD1-CB 4.42Å; Y288-R296 HydrophobicContact CD2-CB 4.12Å; Y288-R296 HydrophobicContact CE1-CB 4.03Å; Y288-R296 HydrophobicContact CE1-CG 3.93Å; Y288-R296 VanDerWaalsContact CE2-CA 3.49Å; Y288-R296 HydrophobicContact CE2-CB 3.7Å; Y288-R296 HydrophobicContact CE2-CG 4.3Å; Y288-R296 HydrophobicContact CG-CB 4.46Å |
| 289 | Q | 58.8 | Low | 72.9 | Confident | 210 Ų | 210 | 75.8 Ų | 75.8 | 98% | 0.981 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -69.7 | -12.5 | 175.7 | -71.2 | 175.9 | -12.4 | 0 | 0 | 112.4 | ||
| 290 | S | 53.6 | Low | 73.9 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -97.1 | 140.4 | 174.6 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | Y288 D292 | Y288-S290 PolarHBondContact O-N 3.31Å; S290-D292 PolarHBondContact O-N 3.28Å |
| 291 | S | 46.5 | Very low | 74.4 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 88% | 0.881 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -52.7 | 13.5 | -172.4 | 51.3 | 0 | 0 | 0 | 0 | 119 | ||
| 292 | D | 45.8 | Very low | 74.6 | Confident | 128 Ų | 128 | 73 Ų | 73 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -83.2 | 133.5 | 174.1 | -82.3 | -16.5 | 0 | 0 | 0 | 110.1 | S290 G294 | S290-D292 PolarHBondContact O-N 3.28Å; D292-G294 PolarHBondContact O-N 3.06Å |
| 293 | E | 58.3 | Low | 74.5 | Confident | 188 Ų | 188 | 71 Ų | 71 | 88% | 0.879 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -65.3 | 35.5 | 179.8 | -61.8 | -178.6 | 152.4 | 0 | 0 | 114.1 | L315 | E293-L315 WeakPolarHBondContact O-CD2 3.47Š|
| 294 | G | 62.5 | Low | 74.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | trans | -109 | 138.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y288 D292 | Y288-G294 WeakPolarHBondContact CD2-O 3.34Å; D292-G294 PolarHBondContact O-N 3.06Å | ||
| 295 | L | 69.8 | Low | 74.1 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.7 | 163.7 | -65.4 | 171.3 | 0 | 0 | 0 | 109.5 | I283 Y298 P313 L315 | I283-L295 HydrophobicContact CG2-CD1 4.18Å; L295-Y298 HydrophobicContact CB-CD1 3.87Å; L295-Y298 HydrophobicContact CB-CE1 3.81Å; L295-Y298 HydrophobicContact CD1-CD1 4.27Å; L295-Y298 HydrophobicContact CD1-CE1 4.42Å; L295-P313 HydrophobicContact CD2-CB 3.94Å; L295-P313 HydrophobicContact CD2-CG 4.18Å; L295-L315 HydrophobicContact CB-CD1 4.37Å; L295-L315 HydrophobicContact CD1-CB 4.47Å; L295-L315 HydrophobicContact CD1-CD1 3.85Å; L295-L315 HydrophobicContact CD1-CG 3.68Å; L295-L315 HydrophobicContact CG-CD1 4.1Å; L295-L315 HydrophobicContact CG-CG 3.96Å |
| 296 | R | 72 | Confident | 74.1 | Confident | 156 Ų | 156 | 74.4 Ų | 74.4 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -47.8 | 177.6 | -177.7 | 176 | 179 | -173.4 | 1.8 | 111.7 | K286 Y288 | K286-R296 PolarHBondContact O-N 3.09Å; Y288-R296 HydrophobicContact CD1-CB 4.42Å; Y288-R296 HydrophobicContact CD2-CB 4.12Å; Y288-R296 HydrophobicContact CE1-CB 4.03Å; Y288-R296 HydrophobicContact CE1-CG 3.93Å; Y288-R296 VanDerWaalsContact CE2-CA 3.49Å; Y288-R296 HydrophobicContact CE2-CB 3.7Å; Y288-R296 HydrophobicContact CE2-CG 4.3Å; Y288-R296 HydrophobicContact CG-CB 4.46Å |
| 297 | N | 80.5 | Confident | 74.3 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.2 | -178.9 | -68.6 | -10.5 | 0 | 0 | 0 | 108.8 | G285 K286 | G285-N297 WeakPolarHBondContact CA-O 3.17Å; K286-N297 PolarHBondContact N-O 3.1Å |
| 298 | Y | 86 | Confident | 74.9 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.7 | 174 | -58.7 | -13.7 | 0 | 0 | 0 | 109.8 | M1 I283 L295 L315 Y327 K330 | M1-Y298 WeakPolarHBondContact CG-O 3.45Å; I283-Y298 HydrophobicContact CD1-CE2 4.22Å; I283-Y298 HydrophobicContact CG2-CD1 3.99Å; I283-Y298 HydrophobicContact CG2-CD2 4.18Å; I283-Y298 HydrophobicContact CG2-CE1 4.46Å; I283-Y298 HydrophobicContact CG2-CG 3.84Å; L295-Y298 HydrophobicContact CB-CD1 3.87Å; L295-Y298 HydrophobicContact CB-CE1 3.81Å; L295-Y298 HydrophobicContact CD1-CD1 4.27Å; L295-Y298 HydrophobicContact CD1-CE1 4.42Å; Y298-L315 HydrophobicContact CE1-CD1 4.08Å; Y298-Y327 VanDerWaalsContact CB-CD2 3.48Å; Y298-Y327 VanDerWaalsContact CB-CE2 3.41Å; Y298-Y327 AromaticContact CD2-CD2 3.86Å; Y298-Y327 HydrophobicContact CD2-CD2 3.86Å; Y298-Y327 HydrophobicContact CD2-CG 4.36Å; Y298-Y327 HydrophobicContact CG-CD2 4.07Å; Y298-Y327 HydrophobicContact CG-CE2 4.47Å; Y298-K330 HydrophobicContact CD2-CB 4.04Å; Y298-K330 HydrophobicContact CD2-CG 4.24Å; Y298-K330 HydrophobicContact CE2-CB 3.71Å; Y298-K330 HydrophobicContact CE2-CG 3.95Å |
| 299 | E | 88 | Confident | 76.2 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -43.8 | -175.3 | -66.5 | -172 | 169.8 | 0 | 0 | 112.4 | M1 K2 F284 K286 Y327 | M1-E299 CarbonylContact C-O 3.59Å; M1-E299 WeakPolarHBondContact CA-O 3.15Å; K2-E299 PolarHBondContact N-O 2.95Å; F284-E299 PolarHBondContact O-N 3.41Å; K286-E299 WeakPolarHBondContact CE-OE1 3.35Å; K286-E299 IonicContact NZ-OE1 3.7Å; E299-Y327 PolarHBondContact O-OH 3.47Å |
| 300 | E | 89.9 | Confident | 77.4 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.1 | -177 | -63.5 | -174 | -164.3 | 0 | 0 | 111.2 | K2 F284 H302 Y309 | K2-E300 HydrophobicContact CB-CB 4.49Å; K2-E300 HydrophobicContact CB-CG 4.33Å; F284-E300 PolarHBondContact N-O 3.09Å; F284-E300 PolarHBondContact O-N 2.8Å; E300-H302 IonicContact OE2-CE1 2.87Å; E300-H302 IonicContact OE2-NE2 3.86Å; E300-H302 PolarHBondContact OE2-NE2 3.48Å; E300-Y309 WeakPolarHBondContact OE2-CE1 3.45Å; E300-Y309 PolarHBondContact OE2-OH 2.77Å |
| 301 | F | 91.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.4 | 173.6 | 62.7 | -90.8 | 0 | 0 | 0 | 109.2 | K2 Y5 Y282 F320 V324 Y327 F328 | K2-F301 HydrophobicContact CB-CD1 4.3Å; K2-F301 HydrophobicContact CB-CE1 4.07Å; K2-F301 HydrophobicContact CD-CD1 4.22Å; K2-F301 HydrophobicContact CD-CE1 4Å; K2-F301 HydrophobicContact CD-CE2 4.35Å; K2-F301 HydrophobicContact CD-CG 4.49Å; K2-F301 HydrophobicContact CD-CZ 4.06Å; K2-F301 WeakPolarHBondContact CD-O 3.23Å; K2-F301 HydrophobicContact CG-CD1 4.4Å; K2-F301 HydrophobicContact CG-CE1 3.87Å; K2-F301 HydrophobicContact CG-CZ 4.15Å; K2-F301 PolarHBondContact NZ-O 3.43Å; Y5-F301 HydrophobicContact CD1-CE2 4.05Å; Y5-F301 AromaticContact CD1-CZ 3.91Å; Y5-F301 HydrophobicContact CD1-CZ 3.91Å; Y5-F301 AromaticContact CE1-CE2 3.8Å; Y5-F301 HydrophobicContact CE1-CE2 3.8Å; Y5-F301 AromaticContact CE1-CZ 3.86Å; Y5-F301 HydrophobicContact CE1-CZ 3.86Å; Y282-F301 CarbonylContact O-C 3.57Å; Y282-F301 VanDerWaalsContact O-CA 3.24Å; Y282-F301 WeakPolarHBondContact O-CA 3.46Å; F301-F320 AromaticContact CD2-CE2 3.77Å; F301-F320 HydrophobicContact CD2-CE2 3.77Å; F301-F320 AromaticContact CD2-CZ 3.89Å; F301-F320 HydrophobicContact CD2-CZ 3.89Å; F301-F320 HydrophobicContact CE2-CE2 4.32Å; F301-F320 AromaticContact CE2-CZ 3.95Å; F301-F320 HydrophobicContact CE2-CZ 3.95Å; F301-V324 HydrophobicContact CD2-CG2 3.72Å; F301-V324 HydrophobicContact CE2-CG2 3.89Å; F301-V324 HydrophobicContact CG-CG2 4.47Å; F301-Y327 HydrophobicContact CB-CD2 4.44Å; F301-Y327 AromaticContact CD1-CD1 3.7Å; F301-Y327 HydrophobicContact CD1-CD1 3.7Å; F301-Y327 HydrophobicContact CD1-CD2 4.26Å; F301-Y327 AromaticContact CD1-CE1 3.65Å; F301-Y327 HydrophobicContact CD1-CE1 3.65Å; F301-Y327 HydrophobicContact CD1-CE2 4.24Å; F301-Y327 HydrophobicContact CD1-CG 4.01Å; F301-Y327 AromaticContact CD1-CZ 3.95Å; F301-Y327 HydrophobicContact CE1-CD1 4.1Å; F301-Y327 AromaticContact CE1-CE1 3.88Å; F301-Y327 HydrophobicContact CE1-CE1 3.88Å; F301-F328 HydrophobicContact CD1-CE2 4.37Å; F301-F328 AromaticContact CE1-CE2 3.63Å; F301-F328 HydrophobicContact CE1-CE2 3.63Å; F301-F328 AromaticContact CE1-CZ 3.9Å; F301-F328 HydrophobicContact CE1-CZ 3.9Å; F301-F328 AromaticContact CZ-CE2 3.86Å; F301-F328 HydrophobicContact CZ-CE2 3.86Å; F301-F328 HydrophobicContact CZ-CZ 4.22Å |
| 302 | H | 90.3 | Very high | 80.7 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.6 | -179.2 | -63.8 | -64.3 | 0 | 0 | 0 | 110.9 | K2 Y282 F284 E300 F304 F306 Y309 | K2-H302 PolarHBondContact NZ-ND1 2.88Å; Y282-H302 PolarHBondContact N-O 2.97Å; Y282-H302 PolarHBondContact O-N 3.44Å; F284-H302 AromaticContact CD2-CD2 3.83Å; F284-H302 HydrophobicContact CE2-CB 4.27Å; F284-H302 AromaticContact CE2-CD2 3.72Å; E300-H302 IonicContact OE2-CE1 2.87Å; E300-H302 IonicContact OE2-NE2 3.86Å; E300-H302 PolarHBondContact OE2-NE2 3.48Å; H302-F304 PolarHBondContact O-N 3.09Å; H302-F306 HydrophobicContact CB-CD2 3.99Å; H302-F306 HydrophobicContact CB-CE2 3.7Å; H302-F306 AromaticContact CG-CD2 3.89Å; H302-F306 AromaticContact CG-CE2 3.71Å; H302-F306 AromaticContact ND1-CE2 3.71Å; H302-Y309 AromaticContact CD2-CD2 3.93Å; H302-Y309 AromaticContact CD2-CE2 3.64Å; H302-Y309 AromaticContact NE2-CE2 3.36Å; H302-Y309 WeakPolarHBondContact NE2-CE2 3.38Å; H302-Y309 AromaticContact NE2-CZ 3.42Å; H302-Y309 PolarHBondContact NE2-OH 2.65Å |
| 303 | P | 87.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -79.8 | -2.8 | 178.4 | 33.2 | -37.3 | 0 | 0 | 0 | 113.8 | F8 V12 H280 F320 | F8-P303 HydrophobicContact CD1-CG 3.79Å; F8-P303 HydrophobicContact CE1-CG 3.43Å; F8-P303 VanDerWaalsContact CE1-CG 3.43Å; F8-P303 HydrophobicContact CZ-CG 4.37Å; V12-P303 HydrophobicContact CB-CB 4.06Å; V12-P303 HydrophobicContact CB-CG 4.42Å; V12-P303 HydrophobicContact CG1-CB 3.73Å; V12-P303 HydrophobicContact CG2-CB 3.92Å; V12-P303 HydrophobicContact CG2-CG 3.92Å; H280-P303 CarbonylContact O-C 3.35Å; H280-P303 VanDerWaalsContact O-C 3.31Å; P303-F320 HydrophobicContact CB-CB 4.21Å; P303-F320 HydrophobicContact CB-CD1 4.25Å; P303-F320 HydrophobicContact CB-CD2 3.54Å; P303-F320 HydrophobicContact CB-CE2 3.83Å; P303-F320 HydrophobicContact CB-CG 3.75Å; P303-F320 HydrophobicContact CB-CZ 4.31Å; P303-F320 HydrophobicContact CG-CD2 4.43Å; P303-F320 HydrophobicContact CG-CE2 4.25Å |
| 304 | F | 84.6 | Confident | 84.1 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 23% | 0.228 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -147.6 | 150.9 | -177.6 | -176.6 | -96.3 | 0 | 0 | 0 | 110.1 | E269 H302 F306 | E269-F304 WeakPolarHBondContact OE2-CD2 3.25Å; E269-F304 WeakPolarHBondContact OE2-CE2 3.37Å; H302-F304 PolarHBondContact O-N 3.09Å; F304-F306 HydrophobicContact CB-CE1 4.22Å; F304-F306 HydrophobicContact CB-CZ 4.32Å; F304-F306 AromaticContact CD1-CD1 3.76Å; F304-F306 HydrophobicContact CD1-CD1 3.76Å; F304-F306 HydrophobicContact CD1-CE1 4.04Å; F304-F306 HydrophobicContact CD1-CG 4.37Å; F304-F306 PolarHBondContact O-N 3.49Å |
| 305 | M | 86.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | trans | -79.9 | 83.4 | 176.5 | -168.1 | 66.7 | -171 | 0 | 0 | 110.9 | Y282 F284 Y309 R310 | Y282-M305 HydrophobicContact CD1-SD 3.92Å; Y282-M305 HydrophobicContact CD2-CB 4.35Å; Y282-M305 HydrophobicContact CE1-CB 4.34Å; Y282-M305 HydrophobicContact CE1-SD 4.14Å; Y282-M305 HydrophobicContact CE2-CB 3.95Å; Y282-M305 HydrophobicContact CG-SD 4.22Å; F284-M305 HydrophobicContact CE1-CE 3.79Å; F284-M305 HydrophobicContact CE1-SD 3.88Å; F284-M305 HydrophobicContact CZ-CE 4.12Å; F284-M305 HydrophobicContact CZ-SD 3.62Å; M305-Y309 WeakPolarHBondContact CE-O 3.4Å; M305-R310 VanDerWaalsContact CE-CA 3.42Å; M305-R310 HydrophobicContact CE-CB 4.39Å; M305-R310 HydrophobicContact CE-CG 4.17Å; M305-R310 HydrophobicContact CG-CG 4.45Å | ||
| 306 | F | 87.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | trans | -68.1 | 141.5 | 178.7 | -54.9 | -67.9 | 0 | 0 | 0 | 112.3 | F8 V219 I220 H223 H302 F304 Q308 Y309 | F8-F306 HydrophobicContact CE1-CZ 4.15Å; V219-F306 HydrophobicContact CG1-CD2 3.49Å; V219-F306 VanDerWaalsContact CG1-CD2 3.49Å; V219-F306 HydrophobicContact CG1-CE2 3.5Å; V219-F306 VanDerWaalsContact CG1-CE2 3.5Å; V219-F306 HydrophobicContact CG1-CG 4.15Å; V219-F306 HydrophobicContact CG1-CZ 4.18Å; I220-F306 HydrophobicContact CG1-CE1 4.04Å; I220-F306 HydrophobicContact CG1-CZ 4.04Å; H223-F306 HydrophobicContact CB-CB 4.2Å; H223-F306 HydrophobicContact CB-CD1 3.74Å; H223-F306 HydrophobicContact CB-CG 4.3Å; H223-F306 AromaticContact CD2-CD1 3.99Å; H223-F306 AromaticContact CG-CD1 3.6Å; H302-F306 HydrophobicContact CB-CD2 3.99Å; H302-F306 HydrophobicContact CB-CE2 3.7Å; H302-F306 AromaticContact CG-CD2 3.89Å; H302-F306 AromaticContact CG-CE2 3.71Å; H302-F306 AromaticContact ND1-CE2 3.71Å; F304-F306 HydrophobicContact CB-CE1 4.22Å; F304-F306 HydrophobicContact CB-CZ 4.32Å; F304-F306 AromaticContact CD1-CD1 3.76Å; F304-F306 HydrophobicContact CD1-CD1 3.76Å; F304-F306 HydrophobicContact CD1-CE1 4.04Å; F304-F306 HydrophobicContact CD1-CG 4.37Å; F304-F306 PolarHBondContact O-N 3.49Å; F306-Q308 HydrophobicContact CB-CG 4.45Å; F306-Q308 PolarHBondContact O-N 3.09Å; F306-Q308 VanDerWaalsContact O-N 3.08Å; F306-Y309 HydrophobicContact CB-CD2 3.97Å; F306-Y309 HydrophobicContact CB-CE2 4.43Å; F306-Y309 HydrophobicContact CD2-CD2 4.22Å; F306-Y309 HydrophobicContact CD2-CE2 4.19Å; F306-Y309 PolarHBondContact O-N 3.4Å | ||
| 307 | E | 84.9 | Confident | 87 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 21% | 0.21 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -46 | -41.1 | 178.3 | -160.4 | 65.2 | -147.5 | 0 | 0 | 113.9 | H223 Y309 R310 | H223-E307 PolarHBondContact CE1-N 3.36Å; H223-E307 PolarHBondContact ND1-N 3.25Å; E307-Y309 PolarHBondContact O-N 2.74Å; E307-R310 VanDerWaalsContact CD-CZ 3.5Å; E307-R310 PolarHBondContact O-N 3.28Å; E307-R310 WeakPolarHBondContact OE1-CD 3.44Å; E307-R310 IonicContact OE1-CZ 2.83Å; E307-R310 IonicContact OE1-NE 3.71Å; E307-R310 IonicContact OE1-NH1 2.69Å; E307-R310 PolarHBondContact OE1-NH1 3.21Å; E307-R310 IonicContact OE2-CZ 2.68Å; E307-R310 IonicContact OE2-NE 2.79Å; E307-R310 PolarHBondContact OE2-NE 3.27Å; E307-R310 IonicContact OE2-NH1 3.4Å; E307-R310 PolarHBondContact OE2-NH1 3.25Å; E307-R310 IonicContact OE2-NH2 4Å; E307-R310 PolarHBondContact OE2-NH2 3.22Å |
| 308 | Q | 87.3 | Confident | 87.3 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -67.6 | -13.7 | -179.6 | 62.9 | -107.9 | 22.5 | 0 | 0 | 115.5 | V219 F306 | V219-Q308 VanDerWaalsContact CG1-NE2 3.32Å; V219-Q308 PolarHBondContact O-NE2 3.42Å; F306-Q308 HydrophobicContact CB-CG 4.45Å; F306-Q308 PolarHBondContact O-N 3.09Å; F306-Q308 VanDerWaalsContact O-N 3.08Å |
| 309 | Y | 87.2 | Confident | 87.4 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -110.9 | 2.5 | -179.8 | -57 | -74.7 | 0 | 0 | 0 | 113.5 | V219 F284 E300 H302 M305 F306 E307 D311 K312 | V219-Y309 HydrophobicContact CG1-CE2 3.94Å; F284-Y309 HydrophobicContact CD1-CG 4.45Å; F284-Y309 HydrophobicContact CE1-CG 4.29Å; F284-Y309 HydrophobicContact CE2-CG 4.44Å; F284-Y309 HydrophobicContact CZ-CG 4.28Å; E300-Y309 WeakPolarHBondContact OE2-CE1 3.45Å; E300-Y309 PolarHBondContact OE2-OH 2.77Å; H302-Y309 AromaticContact CD2-CD2 3.93Å; H302-Y309 AromaticContact CD2-CE2 3.64Å; H302-Y309 AromaticContact NE2-CE2 3.36Å; H302-Y309 WeakPolarHBondContact NE2-CE2 3.38Å; H302-Y309 AromaticContact NE2-CZ 3.42Å; H302-Y309 PolarHBondContact NE2-OH 2.65Å; M305-Y309 WeakPolarHBondContact CE-O 3.4Å; F306-Y309 HydrophobicContact CB-CD2 3.97Å; F306-Y309 HydrophobicContact CB-CE2 4.43Å; F306-Y309 HydrophobicContact CD2-CD2 4.22Å; F306-Y309 HydrophobicContact CD2-CE2 4.19Å; F306-Y309 PolarHBondContact O-N 3.4Å; E307-Y309 PolarHBondContact O-N 2.74Å; Y309-D311 VanDerWaalsContact C-N 3.25Å; Y309-D311 PolarHBondContact O-N 3.32Å; Y309-K312 HydrophobicContact CD1-CD 3.93Å; Y309-K312 PolarHBondContact O-N 2.91Å |
| 310 | R | 84.3 | Confident | 87.5 | Confident | 139 Ų | 139 | 47.9 Ų | 47.9 | 53% | 0.525 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.7 | 179.4 | -79.1 | -173 | 178.9 | 176.8 | -4.7 | 114 | M305 E307 K312 | M305-R310 VanDerWaalsContact CE-CA 3.42Å; M305-R310 HydrophobicContact CE-CB 4.39Å; M305-R310 HydrophobicContact CE-CG 4.17Å; M305-R310 HydrophobicContact CG-CG 4.45Å; E307-R310 VanDerWaalsContact CD-CZ 3.5Å; E307-R310 PolarHBondContact O-N 3.28Å; E307-R310 WeakPolarHBondContact OE1-CD 3.44Å; E307-R310 IonicContact OE1-CZ 2.83Å; E307-R310 IonicContact OE1-NE 3.71Å; E307-R310 IonicContact OE1-NH1 2.69Å; E307-R310 PolarHBondContact OE1-NH1 3.21Å; E307-R310 IonicContact OE2-CZ 2.68Å; E307-R310 IonicContact OE2-NE 2.79Å; E307-R310 PolarHBondContact OE2-NE 3.27Å; E307-R310 IonicContact OE2-NH1 3.4Å; E307-R310 PolarHBondContact OE2-NH1 3.25Å; E307-R310 IonicContact OE2-NH2 4Å; E307-R310 PolarHBondContact OE2-NH2 3.22Å; R310-K312 VanDerWaalsContact C-N 3.32Å; R310-K312 PolarHBondContact O-N 3.24Å |
| 311 | D | 84.8 | Confident | 87.5 | Confident | 163 Ų | 163 | 45.4 Ų | 45.4 | 87% | 0.872 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.3 | -178.2 | -54 | -38.3 | 0 | 0 | 0 | 113.6 | Y309 | Y309-D311 VanDerWaalsContact C-N 3.25Å; Y309-D311 PolarHBondContact O-N 3.32Å |
| 312 | K | 86.1 | Confident | 87.4 | Confident | 89 Ų | 89 | 49.1 Ų | 49.1 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -90 | 144.6 | -178.2 | -63.7 | -160.9 | -164.6 | 171.6 | 0 | 111.3 | F284 Y309 R310 H314 | F284-K312 HydrophobicContact CD1-CB 4.15Å; Y309-K312 HydrophobicContact CD1-CD 3.93Å; Y309-K312 PolarHBondContact O-N 2.91Å; R310-K312 VanDerWaalsContact C-N 3.32Å; R310-K312 PolarHBondContact O-N 3.24Å; K312-H314 PolarHBondContact O-N 2.83Å; K312-H314 PolarHBondContact O-ND1 3.37Å; K312-H314 VanDerWaalsContact O-ND1 3.14Å |
| 313 | P | 87.3 | Confident | 87.5 | Confident | 53 Ų | 53 | 49 Ų | 49 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | trans | -65.6 | 132.5 | 175.5 | 29.1 | -33.8 | 0 | 0 | 0 | 109.6 | G285 L295 | G285-P313 PolarHBondContact N-O 3.3Å; G285-P313 WeakPolarHBondContact O-CG 3.25Å; L295-P313 HydrophobicContact CD2-CB 3.94Å; L295-P313 HydrophobicContact CD2-CG 4.18Å | ||
| 314 | H | 87.4 | Confident | 87.8 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 38% | 0.375 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 158.6 | -171.4 | 62.9 | -87.6 | 0 | 0 | 0 | 112.1 | Y282 I283 F284 K312 | Y282-H314 AromaticContact CD1-CD2 3.99Å; I283-H314 CarbonylContact O-C 3.51Å; I283-H314 WeakPolarHBondContact O-CA 3.43Å; F284-H314 HydrophobicContact CD1-CB 3.56Å; F284-H314 HydrophobicContact CE1-CB 3.55Å; F284-H314 HydrophobicContact CG-CB 4.38Å; F284-H314 HydrophobicContact CZ-CB 4.36Å; K312-H314 PolarHBondContact O-N 2.83Å; K312-H314 PolarHBondContact O-ND1 3.37Å; K312-H314 VanDerWaalsContact O-ND1 3.14Å |
| 315 | L | 88.4 | Confident | 88.1 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | 169.2 | -61.8 | 173.1 | 0 | 0 | 0 | 108 | Y282 I283 E293 L295 Y298 F317 | Y282-L315 WeakPolarHBondContact CA-O 3.11Å; I283-L315 HydrophobicContact CB-CB 4.42Å; I283-L315 PolarHBondContact N-O 3.26Å; I283-L315 PolarHBondContact O-N 3.04Å; E293-L315 WeakPolarHBondContact O-CD2 3.47Å; L295-L315 HydrophobicContact CB-CD1 4.37Å; L295-L315 HydrophobicContact CD1-CB 4.47Å; L295-L315 HydrophobicContact CD1-CD1 3.85Å; L295-L315 HydrophobicContact CD1-CG 3.68Å; L295-L315 HydrophobicContact CG-CD1 4.1Å; L295-L315 HydrophobicContact CG-CG 3.96Å; Y298-L315 HydrophobicContact CE1-CD1 4.08Å; L315-F317 HydrophobicContact CB-CE2 3.79Å; L315-F317 HydrophobicContact CB-CZ 4.42Å |
| 316 | A | 88.7 | Confident | 88.3 | Confident | 64 Ų | 64 | 46 Ų | 46 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G281 Y282 | G281-A316 CarbonylContact O-C 3.48Å; Y282-A316 HydrophobicContact CD1-CB 4.08Å; Y282-A316 HydrophobicContact CE1-CB 3.89Å |
| 317 | F | 88.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.8 | 177.6 | -65.7 | -98.2 | 0 | 0 | 0 | 109.5 | H280 G281 I283 L315 S319 K322 A323 A326 | H280-F317 CarbonylContact C-O 3.52Å; H280-F317 WeakPolarHBondContact CA-O 3.45Å; G281-F317 PolarHBondContact N-O 3.5Å; G281-F317 PolarHBondContact O-N 3.39Å; I283-F317 HydrophobicContact CB-CE2 4.27Å; I283-F317 HydrophobicContact CD1-CD2 4.22Å; I283-F317 HydrophobicContact CD1-CE2 3.3Å; I283-F317 HydrophobicContact CD1-CZ 3.65Å; I283-F317 HydrophobicContact CG1-CD2 4.21Å; I283-F317 HydrophobicContact CG1-CE2 3.64Å; I283-F317 HydrophobicContact CG1-CZ 4.47Å; L315-F317 HydrophobicContact CB-CE2 3.79Å; L315-F317 HydrophobicContact CB-CZ 4.42Å; F317-S319 PolarHBondContact O-N 3.44Å; F317-S319 VanDerWaalsContact O-N 3.11Å; F317-K322 HydrophobicContact CB-CB 4.38Å; F317-K322 HydrophobicContact CD1-CB 4.38Å; F317-A323 HydrophobicContact CB-CB 4.03Å; F317-A323 HydrophobicContact CD2-CB 3.65Å; F317-A323 HydrophobicContact CE2-CB 4.35Å; F317-A323 HydrophobicContact CG-CB 3.91Å; F317-A326 HydrophobicContact CE1-CB 3.85Å; F317-A326 HydrophobicContact CZ-CB 3.93Å |
| 318 | D | 86.1 | Confident | 88.7 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -59.5 | -26.2 | -179.5 | -38.1 | -31.9 | 0 | 0 | 0 | 113.7 | T278 K322 | T278-D318 PolarHBondContact OG1-O 3.38Å; D318-K322 IonicContact OD2-NZ 3.28Å; D318-K322 PolarHBondContact OD2-NZ 3.48Å |
| 319 | S | 87.2 | Confident | 88.7 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -142.7 | 151.2 | -177.4 | 101.8 | 0 | 0 | 0 | 0 | 112.3 | E16 P279 F317 K322 A323 | E16-S319 WeakPolarHBondContact OE1-CB 3.42Å; E16-S319 PolarHBondContact OE1-OG 3.22Å; P279-S319 WeakPolarHBondContact O-CA 3.14Å; F317-S319 PolarHBondContact O-N 3.44Å; F317-S319 VanDerWaalsContact O-N 3.11Å; S319-K322 PolarHBondContact O-N 2.92Å; S319-K322 PolarHBondContact OG-N 2.96Å; S319-A323 PolarHBondContact O-N 2.87Å |
| 320 | F | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 177 | -179.8 | -120.1 | 0 | 0 | 0 | 111.9 | D9 V12 E16 P279 F301 P303 K322 A323 V324 | D9-F320 HydrophobicContact CB-CE1 4.27Å; D9-F320 HydrophobicContact CB-CZ 4.02Å; V12-F320 HydrophobicContact CB-CD1 4.34Å; V12-F320 HydrophobicContact CG1-CB 4.18Å; V12-F320 HydrophobicContact CG1-CD1 4.03Å; V12-F320 HydrophobicContact CG1-CG 4.28Å; E16-F320 WeakPolarHBondContact OE2-CB 3.21Å; E16-F320 PolarHBondContact OE2-N 2.71Å; P279-F320 PolarHBondContact O-N 3.21Å; P279-F320 VanDerWaalsContact O-N 3.17Å; F301-F320 AromaticContact CD2-CE2 3.77Å; F301-F320 HydrophobicContact CD2-CE2 3.77Å; F301-F320 AromaticContact CD2-CZ 3.89Å; F301-F320 HydrophobicContact CD2-CZ 3.89Å; F301-F320 HydrophobicContact CE2-CE2 4.32Å; F301-F320 AromaticContact CE2-CZ 3.95Å; F301-F320 HydrophobicContact CE2-CZ 3.95Å; P303-F320 HydrophobicContact CB-CB 4.21Å; P303-F320 HydrophobicContact CB-CD1 4.25Å; P303-F320 HydrophobicContact CB-CD2 3.54Å; P303-F320 HydrophobicContact CB-CE2 3.83Å; P303-F320 HydrophobicContact CB-CG 3.75Å; P303-F320 HydrophobicContact CB-CZ 4.31Å; P303-F320 HydrophobicContact CG-CD2 4.43Å; P303-F320 HydrophobicContact CG-CE2 4.25Å; F320-K322 VanDerWaalsContact C-N 3.31Å; F320-K322 PolarHBondContact O-N 2.94Å; F320-A323 PolarHBondContact O-N 3.17Å; F320-V324 HydrophobicContact CD1-CG2 4.37Å; F320-V324 HydrophobicContact CD2-CG2 4.21Å; F320-V324 HydrophobicContact CE1-CG2 4Å; F320-V324 HydrophobicContact CE2-CG2 3.85Å; F320-V324 HydrophobicContact CG-CG2 4.48Å; F320-V324 HydrophobicContact CZ-CG2 3.73Å; F320-V324 WeakPolarHBondContact O-CG2 3.38Å; F320-V324 PolarHBondContact O-N 2.99Å |
| 321 | N | 90.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 176.1 | -72 | -51.6 | 0 | 0 | 0 | 112.3 | S13 E16 H61 V324 D325 | S13-N321 PolarHBondContact OG-OD1 3.43Å; E16-N321 WeakPolarHBondContact CG-ND2 3.4Å; E16-N321 VanDerWaalsContact OE1-CB 3.29Å; E16-N321 WeakPolarHBondContact OE1-CB 3.32Å; E16-N321 PolarHBondContact OE1-ND2 2.93Å; E16-N321 PolarHBondContact OE2-N 2.9Å; E16-N321 PolarHBondContact OE2-ND2 3.41Å; H61-N321 HydrophobicContact CB-CB 4.31Å; H61-N321 WeakPolarHBondContact CB-OD1 3.29Å; N321-V324 PolarHBondContact O-N 3.19Å; N321-D325 VanDerWaalsContact O-CB 3.28Å; N321-D325 WeakPolarHBondContact O-CB 3.49Å; N321-D325 PolarHBondContact O-N 2.65Å |
| 322 | K | 90 | Very high | 88.9 | Confident | 78 Ų | 78 | 35.4 Ų | 35.4 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.8 | -75 | -175.9 | -177.1 | -176.6 | 0 | 111.7 | F317 D318 S319 F320 D325 A326 | F317-K322 HydrophobicContact CB-CB 4.38Å; F317-K322 HydrophobicContact CD1-CB 4.38Å; D318-K322 IonicContact OD2-NZ 3.28Å; D318-K322 PolarHBondContact OD2-NZ 3.48Å; S319-K322 PolarHBondContact O-N 2.92Å; S319-K322 PolarHBondContact OG-N 2.96Å; F320-K322 VanDerWaalsContact C-N 3.31Å; F320-K322 PolarHBondContact O-N 2.94Å; K322-D325 PolarHBondContact O-N 3.27Å; K322-A326 WeakPolarHBondContact O-CB 3.34Å; K322-A326 PolarHBondContact O-N 3.39Å |
| 323 | A | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I283 F317 S319 F320 Y327 | I283-A323 VanDerWaalsContact CD1-O 3.3Å; I283-A323 WeakPolarHBondContact CD1-O 3.48Å; I283-A323 HydrophobicContact CG1-CB 4.1Å; F317-A323 HydrophobicContact CB-CB 4.03Å; F317-A323 HydrophobicContact CD2-CB 3.65Å; F317-A323 HydrophobicContact CE2-CB 4.35Å; F317-A323 HydrophobicContact CG-CB 3.91Å; S319-A323 PolarHBondContact O-N 2.87Å; F320-A323 PolarHBondContact O-N 3.17Å; A323-Y327 VanDerWaalsContact O-CB 3.25Å; A323-Y327 WeakPolarHBondContact O-CB 3.41Å; A323-Y327 PolarHBondContact O-N 3.33Å |
| 324 | V | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | Y5 H61 F301 F320 N321 A326 Y327 F328 | Y5-V324 HydrophobicContact CE1-CG1 4.07Å; Y5-V324 HydrophobicContact CE1-CG2 4.35Å; Y5-V324 WeakPolarHBondContact OH-CG1 3.26Å; H61-V324 HydrophobicContact CB-CG1 4.45Å; F301-V324 HydrophobicContact CD2-CG2 3.72Å; F301-V324 HydrophobicContact CE2-CG2 3.89Å; F301-V324 HydrophobicContact CG-CG2 4.47Å; F320-V324 HydrophobicContact CD1-CG2 4.37Å; F320-V324 HydrophobicContact CD2-CG2 4.21Å; F320-V324 HydrophobicContact CE1-CG2 4Å; F320-V324 HydrophobicContact CE2-CG2 3.85Å; F320-V324 HydrophobicContact CG-CG2 4.48Å; F320-V324 HydrophobicContact CZ-CG2 3.73Å; F320-V324 WeakPolarHBondContact O-CG2 3.38Å; F320-V324 PolarHBondContact O-N 2.99Å; N321-V324 PolarHBondContact O-N 3.19Å; V324-A326 PolarHBondContact O-N 3.22Å; V324-Y327 PolarHBondContact O-N 2.87Å; V324-F328 HydrophobicContact CG1-CD2 3.52Å; V324-F328 HydrophobicContact CG1-CE2 3.71Å; V324-F328 WeakPolarHBondContact O-CD2 3.35Å; V324-F328 PolarHBondContact O-N 3.37Å |
| 325 | D | 92.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | -179.1 | -169.9 | 26.3 | 0 | 0 | 0 | 111.1 | H61 T63 D64 F65 N321 K322 Y327 S329 | H61-D325 IonicContact CD2-OD1 2.67Å; H61-D325 IonicContact NE2-OD1 2.61Å; T63-D325 VanDerWaalsContact CA-OD2 3.27Å; T63-D325 WeakPolarHBondContact CA-OD2 3.26Å; T63-D325 PolarHBondContact OG1-OD1 2.87Å; D64-D325 PolarHBondContact N-OD2 3.07Å; F65-D325 VanDerWaalsContact CD2-CG 3.46Å; F65-D325 WeakPolarHBondContact CD2-OD1 3.47Å; F65-D325 WeakPolarHBondContact CD2-OD2 3.36Å; N321-D325 VanDerWaalsContact O-CB 3.28Å; N321-D325 WeakPolarHBondContact O-CB 3.49Å; N321-D325 PolarHBondContact O-N 2.65Å; K322-D325 PolarHBondContact O-N 3.27Å; D325-Y327 PolarHBondContact O-N 2.81Å; D325-S329 WeakPolarHBondContact O-CB 3.5Å; D325-S329 PolarHBondContact O-N 2.86Å; D325-S329 PolarHBondContact O-OG 2.87Å; D325-S329 PolarHBondContact OD1-OG 2.95Å |
| 326 | A | 89.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I283 F317 K322 V324 K330 | I283-A326 HydrophobicContact CD1-CB 4.3Å; F317-A326 HydrophobicContact CE1-CB 3.85Å; F317-A326 HydrophobicContact CZ-CB 3.93Å; K322-A326 WeakPolarHBondContact O-CB 3.34Å; K322-A326 PolarHBondContact O-N 3.39Å; V324-A326 PolarHBondContact O-N 3.22Å; A326-K330 WeakPolarHBondContact O-CB 3.02Å; A326-K330 PolarHBondContact O-N 3.39Å; A326-K330 VanDerWaalsContact O-N 3.15Å |
| 327 | Y | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -54.3 | -179.3 | 177.1 | -92.8 | 0 | 0 | 0 | 111.8 | K2 I283 Y298 E299 F301 A323 V324 D325 I331 | K2-Y327 PolarHBondContact N-OH 2.99Å; K2-Y327 WeakPolarHBondContact O-CE1 3.38Å; K2-Y327 PolarHBondContact O-OH 2.68Å; I283-Y327 HydrophobicContact CG2-CD2 3.92Å; Y298-Y327 VanDerWaalsContact CB-CD2 3.48Å; Y298-Y327 VanDerWaalsContact CB-CE2 3.41Å; Y298-Y327 AromaticContact CD2-CD2 3.86Å; Y298-Y327 HydrophobicContact CD2-CD2 3.86Å; Y298-Y327 HydrophobicContact CD2-CG 4.36Å; Y298-Y327 HydrophobicContact CG-CD2 4.07Å; Y298-Y327 HydrophobicContact CG-CE2 4.47Å; E299-Y327 PolarHBondContact O-OH 3.47Å; F301-Y327 HydrophobicContact CB-CD2 4.44Å; F301-Y327 AromaticContact CD1-CD1 3.7Å; F301-Y327 HydrophobicContact CD1-CD1 3.7Å; F301-Y327 HydrophobicContact CD1-CD2 4.26Å; F301-Y327 AromaticContact CD1-CE1 3.65Å; F301-Y327 HydrophobicContact CD1-CE1 3.65Å; F301-Y327 HydrophobicContact CD1-CE2 4.24Å; F301-Y327 HydrophobicContact CD1-CG 4.01Å; F301-Y327 AromaticContact CD1-CZ 3.95Å; F301-Y327 HydrophobicContact CE1-CD1 4.1Å; F301-Y327 AromaticContact CE1-CE1 3.88Å; F301-Y327 HydrophobicContact CE1-CE1 3.88Å; A323-Y327 VanDerWaalsContact O-CB 3.25Å; A323-Y327 WeakPolarHBondContact O-CB 3.41Å; A323-Y327 PolarHBondContact O-N 3.33Å; V324-Y327 PolarHBondContact O-N 2.87Å; D325-Y327 PolarHBondContact O-N 2.81Å; Y327-I331 HydrophobicContact CD1-CD1 3.77Å; Y327-I331 HydrophobicContact CE1-CD1 3.26Å; Y327-I331 HydrophobicContact CE2-CD1 4.11Å; Y327-I331 HydrophobicContact CG-CD1 4.4Å; Y327-I331 VanDerWaalsContact CZ-CD1 3.44Å; Y327-I331 WeakPolarHBondContact O-CG1 3.23Å; Y327-I331 PolarHBondContact O-N 2.94Å |
| 328 | F | 90.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.3 | -30.8 | -175.8 | -78.9 | -84.9 | 0 | 0 | 0 | 113.2 | L3 R59 F301 V324 K330 I331 E332 | L3-F328 HydrophobicContact CD2-CE1 4.41Å; R59-F328 VanDerWaalsContact CD-CE2 3.4Å; R59-F328 VanDerWaalsContact CZ-CD1 3.45Å; F301-F328 HydrophobicContact CD1-CE2 4.37Å; F301-F328 AromaticContact CE1-CE2 3.63Å; F301-F328 HydrophobicContact CE1-CE2 3.63Å; F301-F328 AromaticContact CE1-CZ 3.9Å; F301-F328 HydrophobicContact CE1-CZ 3.9Å; F301-F328 AromaticContact CZ-CE2 3.86Å; F301-F328 HydrophobicContact CZ-CE2 3.86Å; F301-F328 HydrophobicContact CZ-CZ 4.22Å; V324-F328 HydrophobicContact CG1-CD2 3.52Å; V324-F328 HydrophobicContact CG1-CE2 3.71Å; V324-F328 WeakPolarHBondContact O-CD2 3.35Å; V324-F328 PolarHBondContact O-N 3.37Å; F328-K330 PolarHBondContact O-N 2.9Å; F328-I331 PolarHBondContact O-N 3.45Å; F328-E332 WeakPolarHBondContact O-CB 3.37Å; F328-E332 WeakPolarHBondContact O-CG 3.41Å; F328-E332 PolarHBondContact O-N 3.09Å |
| 329 | S | 87.6 | Confident | 87.6 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 172.9 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | F65 D325 S333 | F65-S329 WeakPolarHBondContact CD2-OG 3.3Å; F65-S329 WeakPolarHBondContact CG-OG 3.25Å; D325-S329 WeakPolarHBondContact O-CB 3.5Å; D325-S329 PolarHBondContact O-N 2.86Å; D325-S329 PolarHBondContact O-OG 2.87Å; D325-S329 PolarHBondContact OD1-OG 2.95Å; S329-S333 WeakPolarHBondContact O-CB 3.42Å; S329-S333 PolarHBondContact O-N 3.21Å |
| 330 | K | 86.6 | Confident | 87.3 | Confident | 105 Ų | 105 | 38 Ų | 38 | 46% | 0.457 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 173 | -172.2 | 64.5 | 173.2 | -169.3 | 0 | 112.4 | Y298 A326 F328 S333 Q334 | Y298-K330 HydrophobicContact CD2-CB 4.04Å; Y298-K330 HydrophobicContact CD2-CG 4.24Å; Y298-K330 HydrophobicContact CE2-CB 3.71Å; Y298-K330 HydrophobicContact CE2-CG 3.95Å; A326-K330 WeakPolarHBondContact O-CB 3.02Å; A326-K330 PolarHBondContact O-N 3.39Å; A326-K330 VanDerWaalsContact O-N 3.15Å; F328-K330 PolarHBondContact O-N 2.9Å; K330-S333 PolarHBondContact O-N 3.22Å; K330-Q334 WeakPolarHBondContact O-CG 3.27Å; K330-Q334 PolarHBondContact O-N 3.43Å |
| 331 | I | 87.7 | Confident | 87 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 179.7 | -71.2 | 173.3 | 0 | 0 | 0 | 111.3 | M1 Y327 F328 Q334 K335 | M1-I331 HydrophobicContact SD-CD1 4.27Å; Y327-I331 HydrophobicContact CD1-CD1 3.77Å; Y327-I331 HydrophobicContact CE1-CD1 3.26Å; Y327-I331 HydrophobicContact CE2-CD1 4.11Å; Y327-I331 HydrophobicContact CG-CD1 4.4Å; Y327-I331 VanDerWaalsContact CZ-CD1 3.44Å; Y327-I331 WeakPolarHBondContact O-CG1 3.23Å; Y327-I331 PolarHBondContact O-N 2.94Å; F328-I331 PolarHBondContact O-N 3.45Å; I331-Q334 PolarHBondContact O-N 3.09Å; I331-K335 HydrophobicContact CG2-CD 4.29Å; I331-K335 WeakPolarHBondContact O-CG 3.33Å; I331-K335 PolarHBondContact O-N 3.24Å |
| 332 | E | 86.1 | Confident | 86.9 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.4 | -35.5 | 179.5 | -72.8 | -57.1 | 145.6 | 0 | 0 | 112.1 | W67 F328 K335 T336 I521 | W67-E332 HydrophobicContact CH2-CB 3.89Å; W67-E332 HydrophobicContact CH2-CG 3.71Å; W67-E332 HydrophobicContact CZ3-CB 3.93Å; W67-E332 HydrophobicContact CZ3-CG 3.82Å; F328-E332 WeakPolarHBondContact O-CB 3.37Å; F328-E332 WeakPolarHBondContact O-CG 3.41Å; F328-E332 PolarHBondContact O-N 3.09Å; E332-K335 PolarHBondContact O-N 3.11Å; E332-K335 IonicContact OE1-NZ 3.32Å; E332-K335 PolarHBondContact OE1-NZ 3.42Å; E332-T336 VanDerWaalsContact O-CB 3.25Å; E332-T336 WeakPolarHBondContact O-CB 3.27Å; E332-T336 PolarHBondContact O-N 3.44Å; E332-T336 PolarHBondContact O-OG1 3.33Å; E332-I521 HydrophobicContact CB-CD1 3.56Å |
| 333 | S | 83.1 | Confident | 86.6 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | S329 K330 T336 L337 | S329-S333 WeakPolarHBondContact O-CB 3.42Å; S329-S333 PolarHBondContact O-N 3.21Å; K330-S333 PolarHBondContact O-N 3.22Å; S333-T336 PolarHBondContact O-N 2.93Å; S333-L337 WeakPolarHBondContact O-CB 3.14Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.15Å |
| 334 | Q | 84.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 175.1 | -74 | 175.6 | -10.4 | 0 | 0 | 112.3 | K330 I331 T336 L337 E338 | K330-Q334 WeakPolarHBondContact O-CG 3.27Å; K330-Q334 PolarHBondContact O-N 3.43Å; I331-Q334 PolarHBondContact O-N 3.09Å; Q334-T336 VanDerWaalsContact C-N 3.25Å; Q334-T336 PolarHBondContact O-N 2.69Å; Q334-L337 PolarHBondContact O-N 2.99Å; Q334-E338 WeakPolarHBondContact O-CG 3.44Å; Q334-E338 PolarHBondContact O-N 2.76Å |
| 335 | K | 86 | Confident | 86 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 176.1 | -74.1 | 176.8 | -174 | 169.6 | 0 | 111.8 | I331 E332 E338 Q339 | I331-K335 HydrophobicContact CG2-CD 4.29Å; I331-K335 WeakPolarHBondContact O-CG 3.33Å; I331-K335 PolarHBondContact O-N 3.24Å; E332-K335 PolarHBondContact O-N 3.11Å; E332-K335 IonicContact OE1-NZ 3.32Å; E332-K335 PolarHBondContact OE1-NZ 3.42Å; K335-E338 PolarHBondContact O-N 3.07Å; K335-Q339 WeakPolarHBondContact O-CB 3.32Å; K335-Q339 PolarHBondContact O-N 3.24Å |
| 336 | T | 79.7 | Confident | 85.8 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E332 S333 Q334 E338 Q339 I340 A519 | E332-T336 VanDerWaalsContact O-CB 3.25Å; E332-T336 WeakPolarHBondContact O-CB 3.27Å; E332-T336 PolarHBondContact O-N 3.44Å; E332-T336 PolarHBondContact O-OG1 3.33Å; S333-T336 PolarHBondContact O-N 2.93Å; Q334-T336 VanDerWaalsContact C-N 3.25Å; Q334-T336 PolarHBondContact O-N 2.69Å; T336-E338 PolarHBondContact O-N 3.41Å; T336-Q339 PolarHBondContact O-N 3.41Å; T336-I340 HydrophobicContact CG2-CD1 4.11Å; T336-I340 VanDerWaalsContact O-CG1 3.3Å; T336-I340 WeakPolarHBondContact O-CG1 3.27Å; T336-I340 PolarHBondContact O-N 3.14Å; T336-A519 HydrophobicContact CG2-CB 3.32Å; T336-A519 WeakPolarHBondContact CG2-O 3.36Å |
| 337 | L | 81.4 | Confident | 85.6 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 173.6 | -73.7 | 170.3 | 0 | 0 | 0 | 112.1 | S333 Q334 Q339 I340 S341 | S333-L337 WeakPolarHBondContact O-CB 3.14Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.15Å; Q334-L337 PolarHBondContact O-N 2.99Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.4Å; L337-I340 PolarHBondContact O-N 3.31Å; L337-S341 WeakPolarHBondContact O-CB 3.16Å; L337-S341 PolarHBondContact O-N 3.04Å |
| 338 | E | 85.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 173.6 | -74.5 | -176.1 | -170.3 | 0 | 0 | 112 | Q334 K335 T336 S341 R342 | Q334-E338 WeakPolarHBondContact O-CG 3.44Å; Q334-E338 PolarHBondContact O-N 2.76Å; K335-E338 PolarHBondContact O-N 3.07Å; T336-E338 PolarHBondContact O-N 3.41Å; E338-S341 PolarHBondContact O-N 3.39Å; E338-R342 WeakPolarHBondContact O-CG 3.46Å; E338-R342 PolarHBondContact O-N 2.73Å; E338-R342 IonicContact OE2-CZ 3.68Å; E338-R342 IonicContact OE2-NH1 2.88Å; E338-R342 IonicContact OE2-NH2 3.18Å; E338-R342 PolarHBondContact OE2-NH2 3.04Å |
| 339 | Q | 84.5 | Confident | 85.4 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 179.4 | -173.8 | 63.1 | 6 | 0 | 0 | 111.9 | K335 T336 L337 R342 N343 | K335-Q339 WeakPolarHBondContact O-CB 3.32Å; K335-Q339 PolarHBondContact O-N 3.24Å; T336-Q339 PolarHBondContact O-N 3.41Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.4Å; Q339-R342 PolarHBondContact O-N 2.82Å; Q339-N343 WeakPolarHBondContact O-CB 3.45Å; Q339-N343 VanDerWaalsContact O-CG 3.25Å; Q339-N343 PolarHBondContact O-N 3.21Å; Q339-N343 PolarHBondContact O-ND2 3.43Å |
| 340 | I | 81.2 | Confident | 85.4 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -52.1 | 170.8 | -69.3 | 163 | 0 | 0 | 0 | 109.1 | T336 L337 R342 N343 E344 K516 A519 | T336-I340 HydrophobicContact CG2-CD1 4.11Å; T336-I340 VanDerWaalsContact O-CG1 3.3Å; T336-I340 WeakPolarHBondContact O-CG1 3.27Å; T336-I340 PolarHBondContact O-N 3.14Å; L337-I340 PolarHBondContact O-N 3.31Å; I340-R342 PolarHBondContact O-N 3.18Å; I340-N343 CarbonylContact O-C 3.52Å; I340-N343 WeakPolarHBondContact O-CA 3Å; I340-N343 WeakPolarHBondContact O-CB 3.46Å; I340-N343 PolarHBondContact O-N 3.14Å; I340-E344 HydrophobicContact CG2-CG 4.2Å; I340-E344 WeakPolarHBondContact O-CG 3.14Å; I340-E344 PolarHBondContact O-N 3.4Å; I340-K516 HydrophobicContact CG2-CG 3.99Å; I340-A519 HydrophobicContact CD1-CB 4.2Å |
| 341 | S | 84.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | L337 E338 N343 E344 Q345 | L337-S341 WeakPolarHBondContact O-CB 3.16Å; L337-S341 PolarHBondContact O-N 3.04Å; E338-S341 PolarHBondContact O-N 3.39Å; S341-N343 VanDerWaalsContact C-N 3.32Å; S341-N343 PolarHBondContact O-N 3.36Å; S341-E344 WeakPolarHBondContact O-CB 3.15Å; S341-E344 PolarHBondContact O-N 3.44Å; S341-Q345 WeakPolarHBondContact O-CG 3.48Å; S341-Q345 PolarHBondContact O-N 2.78Å |
| 342 | R | 88 | Confident | 85.8 | Confident | 117 Ų | 117 | 75.7 Ų | 75.7 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.4 | -72.2 | -179.2 | -165.4 | 122.8 | 10.9 | 112.1 | E338 Q339 I340 K346 | E338-R342 WeakPolarHBondContact O-CG 3.46Å; E338-R342 PolarHBondContact O-N 2.73Å; E338-R342 IonicContact OE2-CZ 3.68Å; E338-R342 IonicContact OE2-NH1 2.88Å; E338-R342 IonicContact OE2-NH2 3.18Å; E338-R342 PolarHBondContact OE2-NH2 3.04Å; Q339-R342 PolarHBondContact O-N 2.82Å; I340-R342 PolarHBondContact O-N 3.18Å; R342-K346 WeakPolarHBondContact O-CG 3.37Å; R342-K346 PolarHBondContact O-N 3.43Å |
| 343 | N | 83.4 | Confident | 86.1 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 176.8 | -73.4 | -24 | 0 | 0 | 0 | 112 | Q339 I340 S341 K346 A347 | Q339-N343 WeakPolarHBondContact O-CB 3.45Å; Q339-N343 VanDerWaalsContact O-CG 3.25Å; Q339-N343 PolarHBondContact O-N 3.21Å; Q339-N343 PolarHBondContact O-ND2 3.43Å; I340-N343 CarbonylContact O-C 3.52Å; I340-N343 WeakPolarHBondContact O-CA 3Å; I340-N343 WeakPolarHBondContact O-CB 3.46Å; I340-N343 PolarHBondContact O-N 3.14Å; S341-N343 VanDerWaalsContact C-N 3.32Å; S341-N343 PolarHBondContact O-N 3.36Å; N343-K346 PolarHBondContact O-N 3.13Å; N343-A347 WeakPolarHBondContact O-CB 3.44Å; N343-A347 PolarHBondContact O-N 2.9Å |
| 344 | E | 83.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.2 | -68.5 | -170.4 | 142 | 0 | 0 | 111.4 | I340 S341 A347 S348 M512 K516 | I340-E344 HydrophobicContact CG2-CG 4.2Å; I340-E344 WeakPolarHBondContact O-CG 3.14Å; I340-E344 PolarHBondContact O-N 3.4Å; S341-E344 WeakPolarHBondContact O-CB 3.15Å; S341-E344 PolarHBondContact O-N 3.44Å; E344-A347 PolarHBondContact O-N 2.9Å; E344-S348 WeakPolarHBondContact O-CB 3.45Å; E344-S348 PolarHBondContact O-N 3.44Å; E344-S348 PolarHBondContact O-OG 2.89Å; E344-M512 HydrophobicContact CG-CG 4.13Å; E344-K516 WeakPolarHBondContact OE1-CE 3.05Å; E344-K516 IonicContact OE1-NZ 2.66Å; E344-K516 PolarHBondContact OE1-NZ 3.31Å; E344-K516 IonicContact OE2-NZ 2.91Å |
| 345 | Q | 88.4 | Confident | 86.8 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.9 | -70.8 | 176.8 | 9.6 | 0 | 0 | 111.8 | S341 A347 S348 R349 | S341-Q345 WeakPolarHBondContact O-CG 3.48Å; S341-Q345 PolarHBondContact O-N 2.78Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 3.43Å; Q345-S348 PolarHBondContact O-N 2.69Å; Q345-R349 WeakPolarHBondContact O-CB 3.22Å; Q345-R349 VanDerWaalsContact O-CG 3.3Å; Q345-R349 WeakPolarHBondContact O-CG 3.21Å; Q345-R349 PolarHBondContact O-N 2.76Å |
| 346 | K | 87.9 | Confident | 87.1 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.4 | -39.7 | 176 | -75.5 | 175.6 | -177.8 | 176.5 | 0 | 112.1 | R342 N343 K350 | R342-K346 WeakPolarHBondContact O-CG 3.37Å; R342-K346 PolarHBondContact O-N 3.43Å; N343-K346 PolarHBondContact O-N 3.13Å; K346-K350 WeakPolarHBondContact O-CG 3.37Å; K346-K350 PolarHBondContact O-N 3.09Å |
| 347 | A | 85.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N343 E344 Q345 K350 V351 M512 | N343-A347 WeakPolarHBondContact O-CB 3.44Å; N343-A347 PolarHBondContact O-N 2.9Å; E344-A347 PolarHBondContact O-N 2.9Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 3.43Å; A347-K350 WeakPolarHBondContact O-CB 3.26Å; A347-K350 PolarHBondContact O-N 3.29Å; A347-V351 PolarHBondContact O-N 2.99Å; A347-M512 HydrophobicContact CB-CE 4.04Å |
| 348 | S | 86.9 | Confident | 87.9 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 42% | 0.42 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | E344 Q345 K350 V351 E352 | E344-S348 WeakPolarHBondContact O-CB 3.45Å; E344-S348 PolarHBondContact O-N 3.44Å; E344-S348 PolarHBondContact O-OG 2.89Å; Q345-S348 PolarHBondContact O-N 2.69Å; S348-K350 VanDerWaalsContact C-N 3.26Å; S348-K350 PolarHBondContact O-N 3.46Å; S348-V351 PolarHBondContact O-N 2.99Å; S348-V351 VanDerWaalsContact O-N 3.11Å; S348-E352 PolarHBondContact O-N 2.92Å |
| 349 | R | 91 | Very high | 88.2 | Confident | 157 Ų | 157 | 79.2 Ų | 79.2 | 59% | 0.592 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.6 | -35.9 | 174.1 | -73.2 | 177.2 | -173.3 | -177.9 | 3.6 | 112.7 | Q345 E352 N353 | Q345-R349 WeakPolarHBondContact O-CB 3.22Å; Q345-R349 VanDerWaalsContact O-CG 3.3Å; Q345-R349 WeakPolarHBondContact O-CG 3.21Å; Q345-R349 PolarHBondContact O-N 2.76Å; R349-E352 PolarHBondContact O-N 3.34Å; R349-N353 WeakPolarHBondContact O-CB 3.39Å; R349-N353 PolarHBondContact O-N 2.88Å; R349-N353 PolarHBondContact O-OD1 2.75Å |
| 350 | K | 89.3 | Confident | 88.6 | Confident | 143 Ų | 143 | 83.5 Ų | 83.5 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 175.6 | -74.1 | 176.1 | -179.5 | -173.7 | 0 | 111.9 | K346 A347 S348 E352 N353 I354 | K346-K350 WeakPolarHBondContact O-CG 3.37Å; K346-K350 PolarHBondContact O-N 3.09Å; A347-K350 WeakPolarHBondContact O-CB 3.26Å; A347-K350 PolarHBondContact O-N 3.29Å; S348-K350 VanDerWaalsContact C-N 3.26Å; S348-K350 PolarHBondContact O-N 3.46Å; K350-E352 VanDerWaalsContact C-N 3.33Å; K350-N353 PolarHBondContact O-N 2.8Å; K350-I354 WeakPolarHBondContact O-CD1 3.34Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.41Å; K350-I354 PolarHBondContact O-N 3.48Å |
| 351 | V | 89.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 86.8 Ų | 86.8 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | A347 S348 I354 K355 I505 A508 | A347-V351 PolarHBondContact O-N 2.99Å; S348-V351 PolarHBondContact O-N 2.99Å; S348-V351 VanDerWaalsContact O-N 3.11Å; V351-I354 PolarHBondContact O-N 3.31Å; V351-K355 PolarHBondContact O-N 3.41Å; V351-I505 HydrophobicContact CG1-CG1 3.94Å; V351-A508 HydrophobicContact CG2-CB 4.1Å |
| 352 | E | 92 | Very high | 89.1 | Confident | 93 Ų | 93 | 86 Ų | 86 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.2 | -164.2 | -171.5 | 155.9 | 0 | 0 | 112.5 | S348 R349 K350 I354 K355 K356 | S348-E352 PolarHBondContact O-N 2.92Å; R349-E352 PolarHBondContact O-N 3.34Å; K350-E352 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.12Å; E352-K355 WeakPolarHBondContact O-CB 3.29Å; E352-K355 PolarHBondContact O-N 3.24Å; E352-K356 HydrophobicContact CG-CD 4.46Å; E352-K356 PolarHBondContact O-N 3.43Å; E352-K356 WeakPolarHBondContact OE1-CE 3.44Å; E352-K356 IonicContact OE1-NZ 3.15Å; E352-K356 PolarHBondContact OE1-NZ 3.08Å |
| 353 | N | 92.9 | Very high | 89.3 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.1 | -72.8 | -9.5 | 0 | 0 | 0 | 112 | R349 K350 K355 K356 D357 | R349-N353 WeakPolarHBondContact O-CB 3.39Å; R349-N353 PolarHBondContact O-N 2.88Å; R349-N353 PolarHBondContact O-OD1 2.75Å; K350-N353 PolarHBondContact O-N 2.8Å; N353-K355 VanDerWaalsContact C-N 3.32Å; N353-K355 PolarHBondContact O-N 3.14Å; N353-K356 PolarHBondContact O-N 3.32Å; N353-D357 VanDerWaalsContact O-CB 3.29Å; N353-D357 WeakPolarHBondContact O-CB 3.45Å; N353-D357 PolarHBondContact O-N 2.84Å |
| 354 | I | 90.2 | Very high | 89.7 | Confident | 59 Ų | 59 | 88.9 Ų | 88.9 | 30% | 0.303 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 174.6 | -68.3 | 164.3 | 0 | 0 | 0 | 110.5 | K350 V351 E352 Q358 V500 A504 | K350-I354 WeakPolarHBondContact O-CD1 3.34Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.41Å; K350-I354 PolarHBondContact O-N 3.48Å; V351-I354 PolarHBondContact O-N 3.31Å; E352-I354 PolarHBondContact O-N 3.12Å; I354-Q358 VanDerWaalsContact O-CG 3.26Å; I354-Q358 WeakPolarHBondContact O-CG 3.49Å; I354-Q358 PolarHBondContact O-N 2.83Å; I354-V500 HydrophobicContact CG2-CG1 4.15Å; I354-A504 HydrophobicContact CD1-CB 4.13Å |
| 355 | K | 91 | Very high | 90.1 | Very high | 108 Ų | 108 | 88 Ų | 88 | 47% | 0.47 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -50.9 | 177.5 | -177 | -178.7 | 171.8 | -175.4 | 0 | 111.4 | V351 E352 N353 D357 Q358 E359 L501 | V351-K355 PolarHBondContact O-N 3.41Å; E352-K355 WeakPolarHBondContact O-CB 3.29Å; E352-K355 PolarHBondContact O-N 3.24Å; N353-K355 VanDerWaalsContact C-N 3.32Å; N353-K355 PolarHBondContact O-N 3.14Å; K355-D357 VanDerWaalsContact C-N 3.34Å; K355-D357 PolarHBondContact O-N 3.13Å; K355-Q358 PolarHBondContact O-N 2.92Å; K355-E359 WeakPolarHBondContact CE-OE1 3.19Å; K355-E359 WeakPolarHBondContact O-CG 3.16Å; K355-E359 PolarHBondContact O-N 2.93Å; K355-L501 HydrophobicContact CB-CD1 4.08Å; K355-L501 HydrophobicContact CG-CD1 4.17Å |
| 356 | K | 92.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 88.9 Ų | 88.9 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 178.2 | -77 | 173 | 168.3 | 164.2 | 0 | 112.6 | E352 N353 E359 R360 | E352-K356 HydrophobicContact CG-CD 4.46Å; E352-K356 PolarHBondContact O-N 3.43Å; E352-K356 WeakPolarHBondContact OE1-CE 3.44Å; E352-K356 IonicContact OE1-NZ 3.15Å; E352-K356 PolarHBondContact OE1-NZ 3.08Å; N353-K356 PolarHBondContact O-N 3.32Å; K356-E359 PolarHBondContact O-N 2.98Å; K356-R360 WeakPolarHBondContact O-CG 3.38Å; K356-R360 PolarHBondContact O-N 2.98Å |
| 357 | D | 90.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 85.6 Ų | 85.6 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.5 | 178.5 | 59.9 | 0 | 0 | 0 | 112 | N353 K355 R360 R361 | N353-D357 VanDerWaalsContact O-CB 3.29Å; N353-D357 WeakPolarHBondContact O-CB 3.45Å; N353-D357 PolarHBondContact O-N 2.84Å; K355-D357 VanDerWaalsContact C-N 3.34Å; K355-D357 PolarHBondContact O-N 3.13Å; D357-R360 PolarHBondContact O-N 3.45Å; D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 3.37Å; D357-R361 VanDerWaalsContact O-N 3.1Å; D357-R361 IonicContact OD1-CZ 2.86Å; D357-R361 IonicContact OD1-NH2 3.7Å; D357-R361 PolarHBondContact OD1-NH2 3.39Å; D357-R361 IonicContact OD2-CZ 3.25Å; D357-R361 IonicContact OD2-NH1 2.6Å; D357-R361 PolarHBondContact OD2-NH1 3.36Å; D357-R361 IonicContact OD2-NH2 3.2Å; D357-R361 PolarHBondContact OD2-NH2 3.42Å |
| 358 | Q | 88.7 | Confident | 90.5 | Very high | 18 Ų | 18 | 89 Ų | 89 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 175.6 | -71.6 | 175.5 | -1.1 | 0 | 0 | 112.5 | I354 K355 R361 L362 S497 | I354-Q358 VanDerWaalsContact O-CG 3.26Å; I354-Q358 WeakPolarHBondContact O-CG 3.49Å; I354-Q358 PolarHBondContact O-N 2.83Å; K355-Q358 PolarHBondContact O-N 2.92Å; Q358-R361 PolarHBondContact O-N 2.99Å; Q358-L362 WeakPolarHBondContact O-CG 3.08Å; Q358-L362 PolarHBondContact O-N 2.75Å; Q358-S497 VanDerWaalsContact CD-OG 3.28Å; Q358-S497 PolarHBondContact OE1-O 3.11Å; Q358-S497 PolarHBondContact OE1-OG 2.9Å |
| 359 | E | 91 | Very high | 90.7 | Very high | 101 Ų | 101 | 87.1 Ų | 87.1 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.2 | -74.3 | 169.1 | 175.9 | 0 | 0 | 111.6 | K355 K356 R361 L362 M363 | K355-E359 WeakPolarHBondContact CE-OE1 3.19Å; K355-E359 WeakPolarHBondContact O-CG 3.16Å; K355-E359 PolarHBondContact O-N 2.93Å; K356-E359 PolarHBondContact O-N 2.98Å; E359-R361 PolarHBondContact O-N 3.23Å; E359-L362 PolarHBondContact O-N 3.04Å; E359-M363 WeakPolarHBondContact O-CB 3.38Å; E359-M363 PolarHBondContact O-N 3.09Å |
| 360 | R | 92.5 | Very high | 90.7 | Very high | 178 Ų | 178 | 85.9 Ų | 85.9 | 67% | 0.672 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 175.5 | -74.5 | 176.5 | -174.7 | -178.9 | -0.2 | 112.5 | K356 D357 L362 M363 L364 | K356-R360 WeakPolarHBondContact O-CG 3.38Å; K356-R360 PolarHBondContact O-N 2.98Å; D357-R360 PolarHBondContact O-N 3.45Å; R360-L362 VanDerWaalsContact C-N 3.34Å; R360-L362 PolarHBondContact O-N 2.98Å; R360-M363 WeakPolarHBondContact O-CB 3.35Å; R360-M363 PolarHBondContact O-N 3.06Å; R360-L364 WeakPolarHBondContact O-CG 3.3Å; R360-L364 PolarHBondContact O-N 3.32Å |
| 361 | R | 87.6 | Confident | 90.8 | Very high | 84 Ų | 84 | 84.2 Ų | 84.2 | 32% | 0.317 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.7 | -72.8 | -169.7 | -171.7 | 109.4 | 11.6 | 112.3 | D357 Q358 E359 L364 L365 | D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 3.37Å; D357-R361 VanDerWaalsContact O-N 3.1Å; D357-R361 IonicContact OD1-CZ 2.86Å; D357-R361 IonicContact OD1-NH2 3.7Å; D357-R361 PolarHBondContact OD1-NH2 3.39Å; D357-R361 IonicContact OD2-CZ 3.25Å; D357-R361 IonicContact OD2-NH1 2.6Å; D357-R361 PolarHBondContact OD2-NH1 3.36Å; D357-R361 IonicContact OD2-NH2 3.2Å; D357-R361 PolarHBondContact OD2-NH2 3.42Å; Q358-R361 PolarHBondContact O-N 2.99Å; E359-R361 PolarHBondContact O-N 3.23Å; R361-L364 PolarHBondContact O-N 3.37Å; R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.4Å; R361-L365 VanDerWaalsContact O-N 3.12Å |
| 362 | L | 89.9 | Confident | 90.9 | Very high | 34 Ų | 34 | 83.3 Ų | 83.3 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177 | -70.1 | 173.4 | 0 | 0 | 0 | 111.8 | Q358 E359 R360 L365 K366 E490 T493 I494 | Q358-L362 WeakPolarHBondContact O-CG 3.08Å; Q358-L362 PolarHBondContact O-N 2.75Å; E359-L362 PolarHBondContact O-N 3.04Å; R360-L362 VanDerWaalsContact C-N 3.34Å; R360-L362 PolarHBondContact O-N 2.98Å; L362-L365 PolarHBondContact O-N 2.96Å; L362-K366 WeakPolarHBondContact O-CG 3.38Å; L362-K366 PolarHBondContact O-N 3.49Å; L362-K366 VanDerWaalsContact O-N 3.1Å; L362-E490 HydrophobicContact CD2-CG 4.13Å; L362-T493 HydrophobicContact CD2-CG2 3.83Å; L362-T493 HydrophobicContact CG-CG2 4.47Å; L362-I494 HydrophobicContact CD1-CG1 4.07Å; L362-I494 HydrophobicContact CD2-CD1 4.41Å; L362-I494 HydrophobicContact CD2-CG1 3.56Å; L362-I494 HydrophobicContact CG-CG1 4.49Å |
| 363 | M | 91.1 | Very high | 90.9 | Very high | 131 Ų | 131 | 82.9 Ų | 82.9 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 175 | -170.7 | -170.3 | -158.5 | 0 | 0 | 111.5 | E359 R360 L365 K366 T367 | E359-M363 WeakPolarHBondContact O-CB 3.38Å; E359-M363 PolarHBondContact O-N 3.09Å; R360-M363 WeakPolarHBondContact O-CB 3.35Å; R360-M363 PolarHBondContact O-N 3.06Å; M363-L365 PolarHBondContact O-N 3.1Å; M363-K366 WeakPolarHBondContact O-CB 3.31Å; M363-K366 PolarHBondContact O-N 2.89Å; M363-K366 VanDerWaalsContact O-N 3.1Å; M363-T367 PolarHBondContact O-N 3.24Å; M363-T367 PolarHBondContact O-OG1 3.3Å |
| 364 | L | 91.8 | Very high | 90.8 | Very high | 117 Ų | 117 | 82.2 Ų | 82.2 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 179 | -71.1 | 170.8 | 0 | 0 | 0 | 112.6 | R360 R361 K366 T367 E368 | R360-L364 WeakPolarHBondContact O-CG 3.3Å; R360-L364 PolarHBondContact O-N 3.32Å; R361-L364 PolarHBondContact O-N 3.37Å; L364-K366 VanDerWaalsContact C-N 3.28Å; L364-K366 PolarHBondContact O-N 3.01Å; L364-T367 WeakPolarHBondContact CA-OG1 3.2Å; L364-T367 PolarHBondContact O-N 3.45Å; L364-T367 PolarHBondContact O-OG1 2.85Å; L364-E368 WeakPolarHBondContact O-CB 3.37Å; L364-E368 PolarHBondContact O-N 3.39Å |
| 365 | L | 91 | Very high | 90.9 | Very high | 27 Ų | 27 | 81.9 Ų | 81.9 | 14% | 0.141 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 175.7 | -74.3 | 171.9 | 0 | 0 | 0 | 112.5 | R361 L362 M363 Q369 T493 | R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.4Å; R361-L365 VanDerWaalsContact O-N 3.12Å; L362-L365 PolarHBondContact O-N 2.96Å; M363-L365 PolarHBondContact O-N 3.1Å; L365-Q369 VanDerWaalsContact O-CG 3.24Å; L365-Q369 WeakPolarHBondContact O-CG 3.21Å; L365-Q369 PolarHBondContact O-N 2.93Å; L365-Q369 PolarHBondContact O-NE2 3.37Å; L365-T493 HydrophobicContact CD1-CG2 4.44Å |
| 366 | K | 91.1 | Very high | 91 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.6 | -44.5 | 175.7 | -75.9 | -179.2 | 176.6 | -171.1 | 0 | 111.7 | L362 M363 L364 E368 Q369 E370 E490 | L362-K366 WeakPolarHBondContact O-CG 3.38Å; L362-K366 PolarHBondContact O-N 3.49Å; L362-K366 VanDerWaalsContact O-N 3.1Å; M363-K366 WeakPolarHBondContact O-CB 3.31Å; M363-K366 PolarHBondContact O-N 2.89Å; M363-K366 VanDerWaalsContact O-N 3.1Å; L364-K366 VanDerWaalsContact C-N 3.28Å; L364-K366 PolarHBondContact O-N 3.01Å; K366-E368 VanDerWaalsContact C-N 3.33Å; K366-E368 PolarHBondContact O-N 3.41Å; K366-Q369 WeakPolarHBondContact O-CB 3.35Å; K366-Q369 PolarHBondContact O-N 3Å; K366-E370 PolarHBondContact O-N 3.44Å; K366-E490 WeakPolarHBondContact CE-OE1 3.16Å; K366-E490 IonicContact NZ-OE1 3.08Å |
| 367 | T | 90.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.362 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | M363 L364 E370 L371 | M363-T367 PolarHBondContact O-N 3.24Å; M363-T367 PolarHBondContact O-OG1 3.3Å; L364-T367 WeakPolarHBondContact CA-OG1 3.2Å; L364-T367 PolarHBondContact O-N 3.45Å; L364-T367 PolarHBondContact O-OG1 2.85Å; T367-E370 PolarHBondContact O-N 3.38Å; T367-L371 VanDerWaalsContact O-CG 3.32Å; T367-L371 WeakPolarHBondContact O-CG 3.21Å; T367-L371 PolarHBondContact O-N 3.48Å |
| 368 | E | 89.5 | Confident | 91 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.4 | -172 | -178.6 | -171.1 | 0 | 0 | 111.8 | L364 K366 E370 L371 D372 | L364-E368 WeakPolarHBondContact O-CB 3.37Å; L364-E368 PolarHBondContact O-N 3.39Å; K366-E368 VanDerWaalsContact C-N 3.33Å; K366-E368 PolarHBondContact O-N 3.41Å; E368-E370 VanDerWaalsContact C-N 3.35Å; E368-E370 PolarHBondContact O-N 3.48Å; E368-L371 PolarHBondContact O-N 3.46Å; E368-D372 WeakPolarHBondContact O-CB 3.39Å; E368-D372 PolarHBondContact O-N 3.08Å |
| 369 | Q | 90.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 72.7 Ų | 72.7 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 176 | -77.5 | 173.6 | 74.5 | 0 | 0 | 112.9 | L365 K366 M373 K483 A486 E490 | L365-Q369 VanDerWaalsContact O-CG 3.24Å; L365-Q369 WeakPolarHBondContact O-CG 3.21Å; L365-Q369 PolarHBondContact O-N 2.93Å; L365-Q369 PolarHBondContact O-NE2 3.37Å; K366-Q369 WeakPolarHBondContact O-CB 3.35Å; K366-Q369 PolarHBondContact O-N 3Å; Q369-M373 VanDerWaalsContact O-CB 3.28Å; Q369-M373 WeakPolarHBondContact O-CB 3.2Å; Q369-M373 PolarHBondContact O-N 3.14Å; Q369-K483 HydrophobicContact CB-CG 4.4Å; Q369-A486 HydrophobicContact CG-CB 3.51Å; Q369-E490 PolarHBondContact NE2-OE2 3.06Å |
| 370 | E | 90.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 71.7 Ų | 71.7 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 179.1 | -173.4 | 169.2 | -164 | 0 | 0 | 111.4 | K366 T367 E368 M373 R374 | K366-E370 PolarHBondContact O-N 3.44Å; T367-E370 PolarHBondContact O-N 3.38Å; E368-E370 VanDerWaalsContact C-N 3.35Å; E368-E370 PolarHBondContact O-N 3.48Å; E370-M373 PolarHBondContact O-N 3.15Å; E370-R374 PolarHBondContact O-N 3.03Å |
| 371 | L | 91.3 | Very high | 91.1 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 175.7 | -70.8 | 174.5 | 0 | 0 | 0 | 112.4 | T367 E368 M373 R374 K375 | T367-L371 VanDerWaalsContact O-CG 3.32Å; T367-L371 WeakPolarHBondContact O-CG 3.21Å; T367-L371 PolarHBondContact O-N 3.48Å; E368-L371 PolarHBondContact O-N 3.46Å; L371-M373 VanDerWaalsContact C-N 3.32Å; L371-M373 PolarHBondContact O-N 3.15Å; L371-R374 PolarHBondContact O-N 3.35Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.37Å; L371-K375 PolarHBondContact O-N 3Å |
| 372 | D | 92.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.4 | -82.1 | -22.3 | 0 | 0 | 0 | 111.6 | E368 K375 A376 K482 K483 | E368-D372 WeakPolarHBondContact O-CB 3.39Å; E368-D372 PolarHBondContact O-N 3.08Å; D372-K375 PolarHBondContact O-N 2.82Å; D372-A376 WeakPolarHBondContact O-CB 3.37Å; D372-A376 PolarHBondContact O-N 3.19Å; D372-K482 WeakPolarHBondContact OD2-CB 3.4Å; D372-K483 HydrophobicContact CB-CB 4.32Å |
| 373 | M | 92.2 | Very high | 91.3 | Very high | 85 Ų | 85 | 66 Ų | 66 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175.7 | -174.7 | 177.1 | 72.2 | 0 | 0 | 111.6 | Q369 E370 L371 A376 Y377 | Q369-M373 VanDerWaalsContact O-CB 3.28Å; Q369-M373 WeakPolarHBondContact O-CB 3.2Å; Q369-M373 PolarHBondContact O-N 3.14Å; E370-M373 PolarHBondContact O-N 3.15Å; L371-M373 VanDerWaalsContact C-N 3.32Å; L371-M373 PolarHBondContact O-N 3.15Å; M373-A376 PolarHBondContact O-N 3.38Å; M373-Y377 WeakPolarHBondContact O-CB 3.21Å; M373-Y377 PolarHBondContact O-N 3.47Å |
| 374 | R | 90.7 | Very high | 91.3 | Very high | 87 Ų | 87 | 70 Ų | 70 | 33% | 0.328 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.1 | -173.9 | 60 | 173.3 | 169.4 | -2.5 | 111.6 | E370 L371 Y377 L378 D440 E443 | E370-R374 PolarHBondContact O-N 3.03Å; L371-R374 PolarHBondContact O-N 3.35Å; R374-Y377 PolarHBondContact O-N 3.21Å; R374-L378 HydrophobicContact CG-CD1 4.26Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 2.87Å; R374-D440 IonicContact NH1-OD2 3.25Å; R374-E443 IonicContact NH2-OE1 3.77Å |
| 375 | K | 92.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.3 | -71.5 | 177 | -179.7 | 177.4 | 0 | 112.2 | L371 D372 L378 L379 T462 V464 Y479 | L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.37Å; L371-K375 PolarHBondContact O-N 3Å; D372-K375 PolarHBondContact O-N 2.82Å; K375-L378 PolarHBondContact O-N 3.43Å; K375-L379 WeakPolarHBondContact O-CG 3.41Å; K375-L379 PolarHBondContact O-N 3.37Å; K375-L379 VanDerWaalsContact O-N 3.14Å; K375-T462 HydrophobicContact CG-CG2 4.36Å; K375-V464 HydrophobicContact CB-CG1 4.19Å; K375-V464 HydrophobicContact CB-CG2 4.36Å; K375-V464 HydrophobicContact CG-CG1 4.4Å; K375-V464 HydrophobicContact CG-CG2 4.12Å; K375-Y479 HydrophobicContact CB-CD1 4Å; K375-Y479 HydrophobicContact CB-CD2 4.4Å; K375-Y479 HydrophobicContact CB-CE1 4.15Å; K375-Y479 HydrophobicContact CB-CG 4.14Å; K375-Y479 HydrophobicContact CD-CD1 4.1Å; K375-Y479 HydrophobicContact CD-CE1 3.61Å |
| 376 | A | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D372 M373 L379 E380 Y480 | D372-A376 WeakPolarHBondContact O-CB 3.37Å; D372-A376 PolarHBondContact O-N 3.19Å; M373-A376 PolarHBondContact O-N 3.38Å; A376-L379 PolarHBondContact O-N 3.25Å; A376-E380 PolarHBondContact O-N 2.94Å; A376-E380 VanDerWaalsContact O-N 3.12Å; A376-Y480 HydrophobicContact CB-CD1 4.02Å; A376-Y480 HydrophobicContact CB-CD2 3.74Å; A376-Y480 HydrophobicContact CB-CE1 3.88Å; A376-Y480 HydrophobicContact CB-CE2 3.6Å; A376-Y480 HydrophobicContact CB-CG 3.95Å |
| 377 | Y | 92.3 | Very high | 91.6 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.7 | 170.8 | -93.8 | 0 | 0 | 0 | 112.3 | M373 R374 L379 E380 A381 D440 | M373-Y377 WeakPolarHBondContact O-CB 3.21Å; M373-Y377 PolarHBondContact O-N 3.47Å; R374-Y377 PolarHBondContact O-N 3.21Å; Y377-L379 VanDerWaalsContact C-N 3.3Å; Y377-L379 PolarHBondContact O-N 3.21Å; Y377-E380 PolarHBondContact O-N 3.22Å; Y377-E380 VanDerWaalsContact O-N 3.15Å; Y377-A381 WeakPolarHBondContact O-CB 3.25Å; Y377-A381 PolarHBondContact O-N 3.17Å; Y377-D440 HydrophobicContact CE1-CB 4.4Å; Y377-D440 WeakPolarHBondContact CE1-OD2 3.37Å; Y377-D440 PolarHBondContact OH-OD1 3.2Å; Y377-D440 PolarHBondContact OH-OD2 3.35Å |
| 378 | L | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -33.9 | 178.7 | -73.4 | 173.7 | 0 | 0 | 0 | 112.9 | R374 K375 N382 L438 D440 T462 | R374-L378 HydrophobicContact CG-CD1 4.26Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 2.87Å; K375-L378 PolarHBondContact O-N 3.43Å; L378-N382 WeakPolarHBondContact O-CB 3.3Å; L378-N382 PolarHBondContact O-N 2.85Å; L378-N382 PolarHBondContact O-ND2 3.48Å; L378-L438 HydrophobicContact CB-CB 4.14Å; L378-L438 HydrophobicContact CB-CD1 4.31Å; L378-D440 HydrophobicContact CD2-CB 3.99Å; L378-T462 HydrophobicContact CD1-CG2 4.05Å; L378-T462 WeakPolarHBondContact CD1-OG1 3.25Å |
| 379 | L | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 173.7 | -72.5 | 167.9 | 0 | 0 | 0 | 112.4 | K375 A376 Y377 R383 V386 L438 V464 V466 N475 A476 Y479 | K375-L379 WeakPolarHBondContact O-CG 3.41Å; K375-L379 PolarHBondContact O-N 3.37Å; K375-L379 VanDerWaalsContact O-N 3.14Å; A376-L379 PolarHBondContact O-N 3.25Å; Y377-L379 VanDerWaalsContact C-N 3.3Å; Y377-L379 PolarHBondContact O-N 3.21Å; L379-R383 WeakPolarHBondContact O-CA 3.33Å; L379-R383 PolarHBondContact O-N 3.38Å; L379-V386 HydrophobicContact CD2-CG1 4.19Å; L379-V386 HydrophobicContact CD2-CG2 4.13Å; L379-L438 HydrophobicContact CD2-CD1 3.72Å; L379-L438 HydrophobicContact CG-CD1 4.19Å; L379-V464 HydrophobicContact CD1-CG1 3.8Å; L379-V464 HydrophobicContact CD2-CG1 4.06Å; L379-V464 HydrophobicContact CG-CG1 3.93Å; L379-V466 HydrophobicContact CD2-CG2 3.71Å; L379-N475 HydrophobicContact CD1-CB 4.09Å; L379-A476 HydrophobicContact CB-CB 3.84Å; L379-A476 HydrophobicContact CD1-CB 4.39Å; L379-Y479 HydrophobicContact CD1-CD2 3.56Å; L379-Y479 HydrophobicContact CD1-CE2 3.66Å |
| 380 | E | 91 | Very high | 91.9 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 175.5 | -72.4 | -176.1 | 148.2 | 0 | 0 | 111.6 | A376 Y377 R383 A476 Y480 | A376-E380 PolarHBondContact O-N 2.94Å; A376-E380 VanDerWaalsContact O-N 3.12Å; Y377-E380 PolarHBondContact O-N 3.22Å; Y377-E380 VanDerWaalsContact O-N 3.15Å; E380-R383 WeakPolarHBondContact O-CB 3.24Å; E380-R383 PolarHBondContact O-N 2.79Å; E380-A476 HydrophobicContact CG-CB 3.84Å; E380-Y480 HydrophobicContact CG-CE2 4.42Å; E380-Y480 WeakPolarHBondContact OE1-CE2 3.42Å; E380-Y480 WeakPolarHBondContact OE2-CE2 3.4Å; E380-Y480 PolarHBondContact OE2-OH 3.2Å |
| 381 | A | 90.7 | Very high | 92 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | Y377 P441 F442 | Y377-A381 WeakPolarHBondContact O-CB 3.25Å; Y377-A381 PolarHBondContact O-N 3.17Å; A381-P441 HydrophobicContact CB-CG 3.83Å; A381-F442 HydrophobicContact CB-CD2 4.37Å; A381-F442 HydrophobicContact CB-CE2 4.24Å |
| 382 | N | 91.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 24.4 | -179.4 | -63 | -74.9 | 0 | 0 | 0 | 113.9 | L378 R384 L385 V386 L438 K439 | L378-N382 WeakPolarHBondContact O-CB 3.3Å; L378-N382 PolarHBondContact O-N 2.85Å; L378-N382 PolarHBondContact O-ND2 3.48Å; N382-R384 VanDerWaalsContact C-N 3.33Å; N382-R384 PolarHBondContact O-N 3.23Å; N382-L385 HydrophobicContact CB-CB 4.48Å; N382-L385 WeakPolarHBondContact O-CB 3.28Å; N382-L385 PolarHBondContact O-N 3.37Å; N382-V386 HydrophobicContact CB-CG2 4.36Å; N382-V386 WeakPolarHBondContact O-CG2 3.5Å; N382-V386 PolarHBondContact O-N 3.26Å; N382-L438 HydrophobicContact CB-CD2 3.87Å; N382-K439 PolarHBondContact ND2-O 2.57Å; N382-K439 PolarHBondContact OD1-O 3.33Å |
| 383 | R | 91.8 | Very high | 91.8 | Very high | 133 Ų | 133 | 53.1 Ų | 53.1 | 50% | 0.502 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -47.9 | -50.5 | -173.1 | 175.2 | -177.5 | 169.1 | -170.7 | -3.2 | 113.7 | L379 E380 L385 V386 D387 A472 | L379-R383 WeakPolarHBondContact O-CA 3.33Å; L379-R383 PolarHBondContact O-N 3.38Å; E380-R383 WeakPolarHBondContact O-CB 3.24Å; E380-R383 PolarHBondContact O-N 2.79Å; R383-L385 VanDerWaalsContact C-N 3.32Å; R383-L385 PolarHBondContact O-N 2.98Å; R383-V386 PolarHBondContact O-N 3.24Å; R383-D387 WeakPolarHBondContact CG-OD2 3.49Å; R383-D387 IonicContact NE-OD2 2.7Å; R383-D387 WeakPolarHBondContact O-CB 3.33Å; R383-D387 PolarHBondContact O-N 3.15Å; R383-A472 HydrophobicContact CG-CB 4.18Å |
| 384 | R | 91.2 | Very high | 91.7 | Very high | 215 Ų | 215 | 52 Ų | 52 | 81% | 0.811 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.1 | -42.2 | -176.8 | -68.4 | -178 | 178.7 | 145.1 | -0.9 | 111.8 | N382 N388 | N382-R384 VanDerWaalsContact C-N 3.33Å; N382-R384 PolarHBondContact O-N 3.23Å; R384-N388 WeakPolarHBondContact O-CB 3.3Å; R384-N388 PolarHBondContact O-N 3.31Å; R384-N388 PolarHBondContact O-ND2 2.98Å; R384-N388 PolarHBondContact O-OD1 2.93Å |
| 385 | L | 91.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | -179.7 | -178.2 | 159.7 | 0 | 0 | 0 | 110.7 | N382 R383 N388 I389 H423 L438 | N382-L385 HydrophobicContact CB-CB 4.48Å; N382-L385 WeakPolarHBondContact O-CB 3.28Å; N382-L385 PolarHBondContact O-N 3.37Å; R383-L385 VanDerWaalsContact C-N 3.32Å; R383-L385 PolarHBondContact O-N 2.98Å; L385-N388 PolarHBondContact O-N 2.91Å; L385-I389 HydrophobicContact CD2-CD1 3.47Å; L385-I389 VanDerWaalsContact CD2-CD1 3.47Å; L385-I389 HydrophobicContact CD2-CG1 4.36Å; L385-I389 HydrophobicContact CG-CD1 4.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.4Å; L385-I389 PolarHBondContact O-N 2.8Å; L385-H423 HydrophobicContact CD2-CB 4.23Å; L385-L438 HydrophobicContact CD2-CD2 4.06Å |
| 386 | V | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | -179.9 | 177 | 0 | 0 | 0 | 0 | 111.3 | L379 N382 R383 N388 I389 I390 I436 L438 V466 A472 | L379-V386 HydrophobicContact CD2-CG1 4.19Å; L379-V386 HydrophobicContact CD2-CG2 4.13Å; N382-V386 HydrophobicContact CB-CG2 4.36Å; N382-V386 WeakPolarHBondContact O-CG2 3.5Å; N382-V386 PolarHBondContact O-N 3.26Å; R383-V386 PolarHBondContact O-N 3.24Å; V386-N388 VanDerWaalsContact C-N 3.31Å; V386-N388 PolarHBondContact O-N 2.94Å; V386-I389 PolarHBondContact O-N 2.72Å; V386-I390 HydrophobicContact CG1-CD1 3.79Å; V386-I390 HydrophobicContact CG1-CG1 4.48Å; V386-I390 WeakPolarHBondContact O-CD1 3.5Å; V386-I390 VanDerWaalsContact O-CG1 3.26Å; V386-I390 WeakPolarHBondContact O-CG1 3.26Å; V386-I390 PolarHBondContact O-N 3.29Å; V386-I436 HydrophobicContact CG1-CD1 4.19Å; V386-L438 HydrophobicContact CG2-CD1 3.99Å; V386-L438 HydrophobicContact CG2-CD2 3.76Å; V386-V466 HydrophobicContact CG1-CG1 3.85Å; V386-V466 HydrophobicContact CG1-CG2 4.41Å; V386-A472 HydrophobicContact CB-CB 3.75Å; V386-A472 HydrophobicContact CG1-CB 3.62Å |
| 387 | D | 94 | Very high | 91.5 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175.9 | -76.6 | -27.6 | 0 | 0 | 0 | 111.2 | R383 I390 I391 A472 | R383-D387 WeakPolarHBondContact CG-OD2 3.49Å; R383-D387 IonicContact NE-OD2 2.7Å; R383-D387 WeakPolarHBondContact O-CB 3.33Å; R383-D387 PolarHBondContact O-N 3.15Å; D387-I390 PolarHBondContact O-N 3.11Å; D387-I391 WeakPolarHBondContact O-CD1 3.41Å; D387-I391 VanDerWaalsContact O-CG1 3.23Å; D387-I391 WeakPolarHBondContact O-CG1 3.34Å; D387-I391 PolarHBondContact O-N 2.99Å; D387-A472 VanDerWaalsContact OD1-CB 3.27Å; D387-A472 WeakPolarHBondContact OD1-CB 3.43Å; D387-A472 PolarHBondContact OD1-N 3.23Å |
| 388 | N | 92.7 | Very high | 91.3 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.5 | -71.6 | -11.6 | 0 | 0 | 0 | 112.7 | R384 L385 V386 I391 M392 L420 | R384-N388 WeakPolarHBondContact O-CB 3.3Å; R384-N388 PolarHBondContact O-N 3.31Å; R384-N388 PolarHBondContact O-ND2 2.98Å; R384-N388 PolarHBondContact O-OD1 2.93Å; L385-N388 PolarHBondContact O-N 2.91Å; V386-N388 VanDerWaalsContact C-N 3.31Å; V386-N388 PolarHBondContact O-N 2.94Å; N388-I391 PolarHBondContact O-N 3.24Å; N388-M392 WeakPolarHBondContact O-CB 3.44Å; N388-M392 PolarHBondContact O-N 2.85Å; N388-L420 HydrophobicContact CB-CD1 4.17Å; N388-L420 HydrophobicContact CB-CD2 3.99Å |
| 389 | I | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.9 | -71.1 | 173.2 | 0 | 0 | 0 | 110.6 | L385 V386 I391 M392 I393 L420 H423 I424 I436 | L385-I389 HydrophobicContact CD2-CD1 3.47Å; L385-I389 VanDerWaalsContact CD2-CD1 3.47Å; L385-I389 HydrophobicContact CD2-CG1 4.36Å; L385-I389 HydrophobicContact CG-CD1 4.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.4Å; L385-I389 PolarHBondContact O-N 2.8Å; V386-I389 PolarHBondContact O-N 2.72Å; I389-I391 VanDerWaalsContact C-N 3.33Å; I389-I391 PolarHBondContact O-N 2.97Å; I389-M392 WeakPolarHBondContact O-CB 3.19Å; I389-M392 PolarHBondContact O-N 3.45Å; I389-I393 HydrophobicContact CG2-CD1 3.72Å; I389-I393 HydrophobicContact CG2-CG1 4.42Å; I389-I393 WeakPolarHBondContact O-CG1 3.41Å; I389-I393 PolarHBondContact O-N 3.4Å; I389-L420 HydrophobicContact CG1-CB 4.21Å; I389-L420 HydrophobicContact CG1-CD2 4.35Å; I389-H423 HydrophobicContact CD1-CB 3.79Å; I389-I424 HydrophobicContact CD1-CG1 4.29Å; I389-I424 HydrophobicContact CG2-CD1 3.8Å; I389-I424 HydrophobicContact CG2-CG1 3.84Å; I389-I436 HydrophobicContact CB-CD1 4.31Å; I389-I436 HydrophobicContact CD1-CD1 4.24Å; I389-I436 HydrophobicContact CD1-CG2 3.93Å; I389-I436 HydrophobicContact CG2-CD1 3.79Å |
| 390 | I | 92.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.5 | -70.3 | 161 | 0 | 0 | 0 | 110.7 | V386 D387 I393 N394 V466 I468 V470 | V386-I390 HydrophobicContact CG1-CD1 3.79Å; V386-I390 HydrophobicContact CG1-CG1 4.48Å; V386-I390 WeakPolarHBondContact O-CD1 3.5Å; V386-I390 VanDerWaalsContact O-CG1 3.26Å; V386-I390 WeakPolarHBondContact O-CG1 3.26Å; V386-I390 PolarHBondContact O-N 3.29Å; D387-I390 PolarHBondContact O-N 3.11Å; I390-I393 PolarHBondContact O-N 3.3Å; I390-N394 VanDerWaalsContact CG2-ND2 3.31Å; I390-N394 WeakPolarHBondContact CG2-ND2 3.27Å; I390-N394 VanDerWaalsContact O-CB 3.3Å; I390-N394 WeakPolarHBondContact O-CB 3.33Å; I390-N394 PolarHBondContact O-N 3.43Å; I390-N394 PolarHBondContact O-ND2 3.11Å; I390-N394 VanDerWaalsContact O-ND2 3.14Å; I390-V466 HydrophobicContact CD1-CG1 3.94Å; I390-V466 HydrophobicContact CG1-CG1 4.31Å; I390-I468 HydrophobicContact CG2-CG2 4.46Å; I390-I468 WeakPolarHBondContact CG2-O 3.41Å; I390-V470 WeakPolarHBondContact CD1-O 3.3Å |
| 391 | I | 92.6 | Very high | 90.9 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 177.3 | -69 | 163.4 | 0 | 0 | 0 | 110.8 | D387 N388 I389 N394 H395 | D387-I391 WeakPolarHBondContact O-CD1 3.41Å; D387-I391 VanDerWaalsContact O-CG1 3.23Å; D387-I391 WeakPolarHBondContact O-CG1 3.34Å; D387-I391 PolarHBondContact O-N 2.99Å; N388-I391 PolarHBondContact O-N 3.24Å; I389-I391 VanDerWaalsContact C-N 3.33Å; I389-I391 PolarHBondContact O-N 2.97Å; I391-N394 PolarHBondContact O-N 2.61Å; I391-H395 VanDerWaalsContact O-CB 3.25Å; I391-H395 WeakPolarHBondContact O-CB 3.45Å; I391-H395 PolarHBondContact O-N 2.96Å |
| 392 | M | 89.9 | Confident | 90.9 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 178.4 | -176.6 | -159.3 | 73.4 | 0 | 0 | 111.7 | N388 I389 H395 A396 V410 L420 I424 | N388-M392 WeakPolarHBondContact O-CB 3.44Å; N388-M392 PolarHBondContact O-N 2.85Å; I389-M392 WeakPolarHBondContact O-CB 3.19Å; I389-M392 PolarHBondContact O-N 3.45Å; M392-H395 PolarHBondContact O-N 2.97Å; M392-A396 PolarHBondContact O-N 2.91Å; M392-A396 VanDerWaalsContact O-N 3.07Å; M392-V410 HydrophobicContact CE-CG2 4.4Å; M392-L420 HydrophobicContact SD-CB 4.37Å; M392-I424 HydrophobicContact CE-CD1 3.42Å; M392-I424 VanDerWaalsContact CE-CD1 3.42Å |
| 393 | I | 90.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 178.8 | -63.2 | 166.2 | 0 | 0 | 0 | 110.5 | I389 I390 H395 A396 L397 L406 I424 L427 L429 A434 I468 | I389-I393 HydrophobicContact CG2-CD1 3.72Å; I389-I393 HydrophobicContact CG2-CG1 4.42Å; I389-I393 WeakPolarHBondContact O-CG1 3.41Å; I389-I393 PolarHBondContact O-N 3.4Å; I390-I393 PolarHBondContact O-N 3.3Å; I393-H395 VanDerWaalsContact C-N 3.31Å; I393-H395 PolarHBondContact O-N 3.26Å; I393-A396 PolarHBondContact O-N 2.87Å; I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 HydrophobicContact CG2-CG 4.34Å; I393-L397 WeakPolarHBondContact O-CG 3.11Å; I393-L397 PolarHBondContact O-N 2.67Å; I393-L406 HydrophobicContact CG2-CD2 4.42Å; I393-I424 HydrophobicContact CD1-CD1 4.29Å; I393-L427 HydrophobicContact CD1-CD2 3.71Å; I393-L427 HydrophobicContact CG1-CD2 4.32Å; I393-L429 HydrophobicContact CG2-CD2 4.28Å; I393-A434 HydrophobicContact CD1-CB 4.09Å; I393-I468 HydrophobicContact CB-CG2 4.21Å; I393-I468 HydrophobicContact CG2-CD1 4.03Å; I393-I468 HydrophobicContact CG2-CG2 3.89Å |
| 394 | N | 91.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 75 Ų | 75 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 178.4 | -80.1 | -39.7 | 0 | 0 | 0 | 112.5 | I390 I391 L397 S398 I468 | I390-N394 VanDerWaalsContact CG2-ND2 3.31Å; I390-N394 WeakPolarHBondContact CG2-ND2 3.27Å; I390-N394 VanDerWaalsContact O-CB 3.3Å; I390-N394 WeakPolarHBondContact O-CB 3.33Å; I390-N394 PolarHBondContact O-N 3.43Å; I390-N394 PolarHBondContact O-ND2 3.11Å; I390-N394 VanDerWaalsContact O-ND2 3.14Å; I391-N394 PolarHBondContact O-N 2.61Å; N394-L397 PolarHBondContact O-N 3.22Å; N394-S398 WeakPolarHBondContact O-CB 3.49Å; N394-S398 PolarHBondContact O-N 3.42Å; N394-S398 PolarHBondContact O-OG 2.81Å; N394-I468 PolarHBondContact ND2-O 3.31Å; N394-I468 WeakPolarHBondContact OD1-CG2 3.31Å |
| 395 | H | 91.4 | Very high | 90.5 | Very high | 117 Ų | 117 | 69.9 Ų | 69.9 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 173.4 | 177.4 | -98.1 | 0 | 0 | 0 | 111.3 | I391 M392 I393 S398 N399 | I391-H395 VanDerWaalsContact O-CB 3.25Å; I391-H395 WeakPolarHBondContact O-CB 3.45Å; I391-H395 PolarHBondContact O-N 2.96Å; M392-H395 PolarHBondContact O-N 2.97Å; I393-H395 VanDerWaalsContact C-N 3.31Å; I393-H395 PolarHBondContact O-N 3.26Å; H395-S398 WeakPolarHBondContact CA-OG 3.18Å; H395-S398 PolarHBondContact O-N 3.36Å; H395-S398 PolarHBondContact O-OG 2.76Å; H395-N399 PolarHBondContact CE1-ND2 3.44Å; H395-N399 PolarHBondContact O-N 2.97Å; H395-N399 PolarHBondContact O-ND2 3.28Å |
| 396 | A | 89.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M392 I393 S398 N399 I401 L406 | M392-A396 PolarHBondContact O-N 2.91Å; M392-A396 VanDerWaalsContact O-N 3.07Å; I393-A396 PolarHBondContact O-N 2.87Å; A396-S398 VanDerWaalsContact C-N 3.31Å; A396-S398 PolarHBondContact O-N 3.23Å; A396-N399 PolarHBondContact O-N 2.92Å; A396-I401 HydrophobicContact CB-CD1 4.12Å; A396-L406 HydrophobicContact CB-CD1 3.44Å; A396-L406 VanDerWaalsContact CB-CD1 3.44Å; A396-L406 HydrophobicContact CB-CD2 4.18Å; A396-L406 HydrophobicContact CB-CG 4.46Å |
| 397 | L | 89.1 | Confident | 90.1 | Very high | 58 Ų | 58 | 73.4 Ų | 73.4 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 174.7 | -68.6 | 172.3 | 0 | 0 | 0 | 112 | I393 N394 N399 Q400 L406 | I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 HydrophobicContact CG2-CG 4.34Å; I393-L397 WeakPolarHBondContact O-CG 3.11Å; I393-L397 PolarHBondContact O-N 2.67Å; N394-L397 PolarHBondContact O-N 3.22Å; L397-N399 PolarHBondContact O-N 3.29Å; L397-Q400 PolarHBondContact O-N 3.43Å; L397-Q400 VanDerWaalsContact O-N 3.17Å; L397-L406 HydrophobicContact CD2-CD2 4.08Å; L397-L406 HydrophobicContact CG-CD2 4.3Å |
| 398 | S | 89.2 | Confident | 89.8 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -25.7 | 177.6 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | N394 H395 A396 Q400 | N394-S398 WeakPolarHBondContact O-CB 3.49Å; N394-S398 PolarHBondContact O-N 3.42Å; N394-S398 PolarHBondContact O-OG 2.81Å; H395-S398 WeakPolarHBondContact CA-OG 3.18Å; H395-S398 PolarHBondContact O-N 3.36Å; H395-S398 PolarHBondContact O-OG 2.76Å; A396-S398 VanDerWaalsContact C-N 3.31Å; A396-S398 PolarHBondContact O-N 3.23Å; S398-Q400 PolarHBondContact O-N 3.39Å |
| 399 | N | 91.3 | Very high | 89.6 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 10.7 | 176.1 | -69.7 | -37.8 | 0 | 0 | 0 | 113.5 | H395 A396 L397 I401 | H395-N399 PolarHBondContact CE1-ND2 3.44Å; H395-N399 PolarHBondContact O-N 2.97Å; H395-N399 PolarHBondContact O-ND2 3.28Å; A396-N399 PolarHBondContact O-N 2.92Å; L397-N399 PolarHBondContact O-N 3.29Å; N399-I401 HydrophobicContact CB-CD1 4.45Å; N399-I401 HydrophobicContact CB-CG1 4.28Å; N399-I401 PolarHBondContact O-N 3.09Å |
| 400 | Q | 86.5 | Confident | 89.5 | Confident | 183 Ų | 183 | 77.5 Ų | 77.5 | 86% | 0.855 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 26.7 | 177.8 | -53.2 | 178.7 | 9.3 | 0 | 0 | 114.4 | L397 S398 | L397-Q400 PolarHBondContact O-N 3.43Å; L397-Q400 VanDerWaalsContact O-N 3.17Å; S398-Q400 PolarHBondContact O-N 3.39Å |
| 401 | I | 88.6 | Confident | 89.2 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | trans | -66.9 | 131.9 | 174.1 | -60.6 | 176.1 | 0 | 0 | 0 | 108.9 | A396 N399 E405 L406 I409 | A396-I401 HydrophobicContact CB-CD1 4.12Å; N399-I401 HydrophobicContact CB-CD1 4.45Å; N399-I401 HydrophobicContact CB-CG1 4.28Å; N399-I401 PolarHBondContact O-N 3.09Å; I401-E405 HydrophobicContact CG2-CB 3.9Å; I401-E405 HydrophobicContact CG2-CG 3.99Å; I401-L406 HydrophobicContact CG2-CB 4.09Å; I401-I409 HydrophobicContact CD1-CD1 4.15Å; I401-I409 HydrophobicContact CG2-CD1 3.96Å | ||
| 402 | D | 89.9 | Confident | 89.1 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | trans | -63.5 | 147.9 | 178 | -177.5 | 51 | 0 | 0 | 0 | 111 | K404 E405 L406 | D402-K404 PolarHBondContact O-N 3.06Å; D402-K404 PolarHBondContact OD2-N 3.32Å; D402-E405 HydrophobicContact CB-CB 4.26Å; D402-E405 WeakPolarHBondContact O-CB 3.39Å; D402-E405 PolarHBondContact O-N 2.84Å; D402-L406 PolarHBondContact O-N 3.42Å | ||
| 403 | W | 89.8 | Confident | 89 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | -175.6 | -66.7 | -10.4 | 0 | 0 | 0 | 113 | E407 L429 Q430 | W403-E407 PolarHBondContact O-N 3.38Å; W403-E407 VanDerWaalsContact O-N 3.11Å; W403-L429 HydrophobicContact CB-CD1 3.86Å; W403-L429 HydrophobicContact CD2-CB 4.13Å; W403-L429 HydrophobicContact CG-CB 4.18Å; W403-L429 HydrophobicContact CG-CD1 3.81Å; W403-Q430 HydrophobicContact CE3-CG 4.4Å; W403-Q430 HydrophobicContact CH2-CG 4.49Å; W403-Q430 HydrophobicContact CZ3-CG 3.81Å |
| 404 | K | 87.4 | Confident | 89 | Confident | 157 Ų | 157 | 79.7 Ų | 79.7 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70.8 | -37.5 | 177.1 | -64.4 | 179.2 | 179.2 | 176.8 | 0 | 111.6 | D402 E407 L408 | D402-K404 PolarHBondContact O-N 3.06Å; D402-K404 PolarHBondContact OD2-N 3.32Å; K404-E407 PolarHBondContact O-N 3.45Å; K404-L408 VanDerWaalsContact O-CG 3.32Å; K404-L408 WeakPolarHBondContact O-CG 3.29Å; K404-L408 PolarHBondContact O-N 3.34Å; K404-L408 VanDerWaalsContact O-N 3.07Å |
| 405 | E | 87.5 | Confident | 88.8 | Confident | 108 Ų | 108 | 83.7 Ų | 83.7 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 176.9 | -170.2 | 176.5 | -164.6 | 0 | 0 | 111 | I401 D402 E407 L408 I409 | I401-E405 HydrophobicContact CG2-CB 3.9Å; I401-E405 HydrophobicContact CG2-CG 3.99Å; D402-E405 HydrophobicContact CB-CB 4.26Å; D402-E405 WeakPolarHBondContact O-CB 3.39Å; D402-E405 PolarHBondContact O-N 2.84Å; E405-E407 PolarHBondContact O-N 3.09Å; E405-L408 WeakPolarHBondContact O-CB 3.33Å; E405-L408 PolarHBondContact O-N 3.33Å; E405-I409 HydrophobicContact CG-CD1 4.11Å; E405-I409 VanDerWaalsContact O-CG1 3.25Å; E405-I409 WeakPolarHBondContact O-CG1 3.44Å; E405-I409 PolarHBondContact O-N 2.89Å |
| 406 | L | 88.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 87 Ų | 87 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 174.8 | -176.6 | 54.9 | 0 | 0 | 0 | 112.3 | I393 A396 L397 I401 D402 L408 I409 V410 L427 L429 | I393-L406 HydrophobicContact CG2-CD2 4.42Å; A396-L406 HydrophobicContact CB-CD1 3.44Å; A396-L406 VanDerWaalsContact CB-CD1 3.44Å; A396-L406 HydrophobicContact CB-CD2 4.18Å; A396-L406 HydrophobicContact CB-CG 4.46Å; L397-L406 HydrophobicContact CD2-CD2 4.08Å; L397-L406 HydrophobicContact CG-CD2 4.3Å; I401-L406 HydrophobicContact CG2-CB 4.09Å; D402-L406 PolarHBondContact O-N 3.42Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-I409 PolarHBondContact O-N 3.26Å; L406-V410 HydrophobicContact CD1-CG2 4.33Å; L406-V410 WeakPolarHBondContact O-CB 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.48Å; L406-V410 PolarHBondContact O-N 3.02Å; L406-L427 HydrophobicContact CG-CD1 4.24Å; L406-L429 HydrophobicContact CD2-CD1 3.98Å |
| 407 | E | 88 | Confident | 88.5 | Confident | 109 Ų | 109 | 92.8 Ų | 92.8 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.8 | -168.9 | 170.3 | -160.3 | 0 | 0 | 111.4 | W403 K404 E405 V410 E411 | W403-E407 PolarHBondContact O-N 3.38Å; W403-E407 VanDerWaalsContact O-N 3.11Å; K404-E407 PolarHBondContact O-N 3.45Å; E405-E407 PolarHBondContact O-N 3.09Å; E407-V410 PolarHBondContact O-N 3.41Å; E407-E411 WeakPolarHBondContact O-CB 3.4Å; E407-E411 PolarHBondContact O-N 3.39Å |
| 408 | L | 88.2 | Confident | 88.3 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 173.1 | -70.7 | 169.3 | 0 | 0 | 0 | 112.3 | K404 E405 L406 V410 E411 D412 | K404-L408 VanDerWaalsContact O-CG 3.32Å; K404-L408 WeakPolarHBondContact O-CG 3.29Å; K404-L408 PolarHBondContact O-N 3.34Å; K404-L408 VanDerWaalsContact O-N 3.07Å; E405-L408 WeakPolarHBondContact O-CB 3.33Å; E405-L408 PolarHBondContact O-N 3.33Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L408-V410 VanDerWaalsContact C-N 3.32Å; L408-V410 PolarHBondContact O-N 3.17Å; L408-E411 PolarHBondContact O-N 3.38Å; L408-D412 WeakPolarHBondContact O-CB 3.38Å; L408-D412 PolarHBondContact O-N 3.12Å |
| 409 | I | 88.5 | Confident | 88.1 | Confident | 77 Ų | 77 | 93.6 Ų | 93.6 | 40% | 0.395 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.7 | -71.5 | 164 | 0 | 0 | 0 | 110.9 | I401 E405 L406 D412 A413 | I401-I409 HydrophobicContact CD1-CD1 4.15Å; I401-I409 HydrophobicContact CG2-CD1 3.96Å; E405-I409 HydrophobicContact CG-CD1 4.11Å; E405-I409 VanDerWaalsContact O-CG1 3.25Å; E405-I409 WeakPolarHBondContact O-CG1 3.44Å; E405-I409 PolarHBondContact O-N 2.89Å; L406-I409 PolarHBondContact O-N 3.26Å; I409-D412 PolarHBondContact O-N 3.28Å; I409-A413 VanDerWaalsContact O-CB 3.28Å; I409-A413 WeakPolarHBondContact O-CB 3.25Å; I409-A413 PolarHBondContact O-N 3.21Å |
| 410 | V | 88.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 91.2 Ų | 91.2 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 178 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | M392 L406 E407 L408 A413 K414 I424 L427 | M392-V410 HydrophobicContact CE-CG2 4.4Å; L406-V410 HydrophobicContact CD1-CG2 4.33Å; L406-V410 WeakPolarHBondContact O-CB 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.48Å; L406-V410 PolarHBondContact O-N 3.02Å; E407-V410 PolarHBondContact O-N 3.41Å; L408-V410 VanDerWaalsContact C-N 3.32Å; L408-V410 PolarHBondContact O-N 3.17Å; V410-A413 PolarHBondContact O-N 2.87Å; V410-K414 WeakPolarHBondContact O-CG 3.45Å; V410-K414 PolarHBondContact O-N 3.45Å; V410-I424 HydrophobicContact CG1-CB 4.24Å; V410-I424 HydrophobicContact CG1-CD1 4.25Å; V410-I424 HydrophobicContact CG1-CG2 4.18Å; V410-L427 HydrophobicContact CB-CD1 4.37Å; V410-L427 HydrophobicContact CG2-CD1 4.04Å |
| 411 | E | 88 | Confident | 87.9 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 175.9 | -158.5 | 60.1 | -151.7 | 0 | 0 | 112.4 | E407 L408 A413 K414 Q415 | E407-E411 WeakPolarHBondContact O-CB 3.4Å; E407-E411 PolarHBondContact O-N 3.39Å; L408-E411 PolarHBondContact O-N 3.38Å; E411-A413 VanDerWaalsContact C-N 3.32Å; E411-A413 PolarHBondContact O-N 3.49Å; E411-K414 WeakPolarHBondContact O-CB 3.36Å; E411-K414 PolarHBondContact O-N 3.43Å; E411-K414 WeakPolarHBondContact OE2-CD 3.27Å; E411-K414 IonicContact OE2-NZ 3.66Å; E411-K414 PolarHBondContact OE2-NZ 3Å; E411-Q415 WeakPolarHBondContact O-CG 3.48Å; E411-Q415 PolarHBondContact O-N 3.35Å |
| 412 | D | 89.1 | Confident | 87.9 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 170.8 | -109 | 44.1 | 0 | 0 | 0 | 111.7 | L408 I409 Q415 R416 | L408-D412 WeakPolarHBondContact O-CB 3.38Å; L408-D412 PolarHBondContact O-N 3.12Å; I409-D412 PolarHBondContact O-N 3.28Å; D412-Q415 PolarHBondContact O-N 2.88Å; D412-R416 WeakPolarHBondContact O-CG 3.16Å; D412-R416 PolarHBondContact O-N 3.16Å; D412-R416 IonicContact OD2-CZ 3.91Å; D412-R416 IonicContact OD2-NH2 2.9Å; D412-R416 PolarHBondContact OD2-NH2 3.18Å |
| 413 | A | 88.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 81 Ų | 81 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I409 V410 E411 Q415 R416 D417 D418 A421 | I409-A413 VanDerWaalsContact O-CB 3.28Å; I409-A413 WeakPolarHBondContact O-CB 3.25Å; I409-A413 PolarHBondContact O-N 3.21Å; V410-A413 PolarHBondContact O-N 2.87Å; E411-A413 VanDerWaalsContact C-N 3.32Å; E411-A413 PolarHBondContact O-N 3.49Å; A413-Q415 VanDerWaalsContact C-N 3.35Å; A413-R416 PolarHBondContact O-N 3.29Å; A413-D417 PolarHBondContact O-N 3.36Å; A413-D418 HydrophobicContact CB-CB 4.13Å; A413-D418 WeakPolarHBondContact O-CB 3.45Å; A413-D418 PolarHBondContact O-N 2.7Å; A413-A421 HydrophobicContact CB-CB 3.52Å |
| 414 | K | 89.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 19% | 0.191 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 170.9 | -72.4 | 174.5 | -163.6 | 169.2 | 0 | 111.9 | V410 E411 R416 D417 A421 I424 | V410-K414 WeakPolarHBondContact O-CG 3.45Å; V410-K414 PolarHBondContact O-N 3.45Å; E411-K414 WeakPolarHBondContact O-CB 3.36Å; E411-K414 PolarHBondContact O-N 3.43Å; E411-K414 WeakPolarHBondContact OE2-CD 3.27Å; E411-K414 IonicContact OE2-NZ 3.66Å; E411-K414 PolarHBondContact OE2-NZ 3Å; K414-R416 PolarHBondContact O-N 3.16Å; K414-D417 PolarHBondContact O-N 3.24Å; K414-D417 VanDerWaalsContact O-N 3.07Å; K414-A421 HydrophobicContact CG-CB 4.17Å; K414-A421 WeakPolarHBondContact CG-O 3.34Å; K414-I424 WeakPolarHBondContact CE-O 3.31Å; K414-I424 PolarHBondContact NZ-O 2.92Å; K414-I424 VanDerWaalsContact NZ-O 3.11Å |
| 415 | Q | 87.9 | Confident | 87.9 | Confident | 144 Ų | 144 | 69.4 Ų | 69.4 | 67% | 0.673 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.1 | -23.7 | 177.1 | -71.1 | 178.6 | 20.5 | 0 | 0 | 113 | E411 D412 A413 D417 | E411-Q415 WeakPolarHBondContact O-CG 3.48Å; E411-Q415 PolarHBondContact O-N 3.35Å; D412-Q415 PolarHBondContact O-N 2.88Å; A413-Q415 VanDerWaalsContact C-N 3.35Å; Q415-D417 VanDerWaalsContact C-N 3.3Å |
| 416 | R | 88.2 | Confident | 88 | Confident | 186 Ų | 186 | 68.6 Ų | 68.6 | 70% | 0.702 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8 | 174.6 | -63.9 | 173.6 | -157.5 | 173.5 | 9 | 113.1 | D412 A413 K414 D418 | D412-R416 WeakPolarHBondContact O-CG 3.16Å; D412-R416 PolarHBondContact O-N 3.16Å; D412-R416 IonicContact OD2-CZ 3.91Å; D412-R416 IonicContact OD2-NH2 2.9Å; D412-R416 PolarHBondContact OD2-NH2 3.18Å; A413-R416 PolarHBondContact O-N 3.29Å; K414-R416 PolarHBondContact O-N 3.16Å; R416-D418 VanDerWaalsContact C-N 3.28Å; R416-D418 PolarHBondContact O-N 3.08Å |
| 417 | D | 85.6 | Confident | 88 | Confident | 134 Ų | 134 | 69.5 Ų | 69.5 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.3 | -175.8 | -69.9 | -39.8 | 0 | 0 | 0 | 113.4 | A413 K414 Q415 | A413-D417 PolarHBondContact O-N 3.36Å; K414-D417 PolarHBondContact O-N 3.24Å; K414-D417 VanDerWaalsContact O-N 3.07Å; Q415-D417 VanDerWaalsContact C-N 3.3Å |
| 418 | D | 86 | Confident | 88 | Confident | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -64.3 | 126.7 | 174.9 | 176.5 | 64.2 | 0 | 0 | 0 | 111 | A413 R416 L420 A421 C422 | A413-D418 HydrophobicContact CB-CB 4.13Å; A413-D418 WeakPolarHBondContact O-CB 3.45Å; A413-D418 PolarHBondContact O-N 2.7Å; R416-D418 VanDerWaalsContact C-N 3.28Å; R416-D418 PolarHBondContact O-N 3.08Å; D418-L420 PolarHBondContact O-N 2.98Å; D418-L420 PolarHBondContact OD2-N 2.92Å; D418-A421 HydrophobicContact CB-CB 4Å; D418-A421 PolarHBondContact O-N 2.91Å; D418-A421 PolarHBondContact OD2-N 2.59Å; D418-C422 PolarHBondContact O-N 2.84Å; D418-C422 VanDerWaalsContact O-N 3.13Å; D418-C422 PolarHBondContact O-SG 3.36Å | ||
| 419 | P | 84.2 | Confident | 87.9 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | -172.7 | 23.2 | -36.9 | 0 | 0 | 0 | 114.8 | H423 | P419-H423 PolarHBondContact O-CD2 3.37Å; P419-H423 VanDerWaalsContact O-CD2 3.3Å |
| 420 | L | 87.5 | Confident | 87.8 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -46.5 | 175.8 | -60.8 | 180 | 0 | 0 | 0 | 111.2 | N388 I389 M392 D418 C422 H423 | N388-L420 HydrophobicContact CB-CD1 4.17Å; N388-L420 HydrophobicContact CB-CD2 3.99Å; I389-L420 HydrophobicContact CG1-CB 4.21Å; I389-L420 HydrophobicContact CG1-CD2 4.35Å; M392-L420 HydrophobicContact SD-CB 4.37Å; D418-L420 PolarHBondContact O-N 2.98Å; D418-L420 PolarHBondContact OD2-N 2.92Å; L420-C422 VanDerWaalsContact C-N 3.29Å; L420-C422 PolarHBondContact O-N 2.96Å; L420-H423 PolarHBondContact O-N 2.98Å |
| 421 | A | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -62 | -34.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A413 K414 D418 H423 I424 | A413-A421 HydrophobicContact CB-CB 3.52Å; K414-A421 HydrophobicContact CG-CB 4.17Å; K414-A421 WeakPolarHBondContact CG-O 3.34Å; D418-A421 HydrophobicContact CB-CB 4Å; D418-A421 PolarHBondContact O-N 2.91Å; D418-A421 PolarHBondContact OD2-N 2.59Å; A421-H423 PolarHBondContact O-N 3.41Å; A421-H423 VanDerWaalsContact O-N 3.14Å; A421-I424 PolarHBondContact O-N 2.82Å |
| 422 | C | 87.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59.7 | -24 | 178 | -68.2 | 0 | 0 | 0 | 0 | 114 | D418 L420 | D418-C422 PolarHBondContact O-N 2.84Å; D418-C422 VanDerWaalsContact O-N 3.13Å; D418-C422 PolarHBondContact O-SG 3.36Å; L420-C422 VanDerWaalsContact C-N 3.29Å; L420-C422 PolarHBondContact O-N 2.96Å |
| 423 | H | 89.3 | Confident | 88 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 22% | 0.218 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -84.7 | -13.2 | 177.5 | -73.6 | -77.7 | 0 | 0 | 0 | 113.5 | L385 I389 P419 L420 A421 I436 R437 | L385-H423 HydrophobicContact CD2-CB 4.23Å; I389-H423 HydrophobicContact CD1-CB 3.79Å; P419-H423 PolarHBondContact O-CD2 3.37Å; P419-H423 VanDerWaalsContact O-CD2 3.3Å; L420-H423 PolarHBondContact O-N 2.98Å; A421-H423 PolarHBondContact O-N 3.41Å; A421-H423 VanDerWaalsContact O-N 3.14Å; H423-I436 HydrophobicContact CB-CG2 4.13Å; H423-I436 CarbonylContact O-C 3.6Å; H423-I436 WeakPolarHBondContact O-CA 3.49Å; H423-R437 PolarHBondContact ND1-O 3.48Å; H423-R437 PolarHBondContact O-N 3.32Å |
| 424 | I | 90.7 | Very high | 88.2 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.2 | -178 | -56.5 | 173.5 | 0 | 0 | 0 | 108.7 | I389 M392 I393 V410 K414 A421 L427 | I389-I424 HydrophobicContact CD1-CG1 4.29Å; I389-I424 HydrophobicContact CG2-CD1 3.8Å; I389-I424 HydrophobicContact CG2-CG1 3.84Å; M392-I424 HydrophobicContact CE-CD1 3.42Å; M392-I424 VanDerWaalsContact CE-CD1 3.42Å; I393-I424 HydrophobicContact CD1-CD1 4.29Å; V410-I424 HydrophobicContact CG1-CB 4.24Å; V410-I424 HydrophobicContact CG1-CD1 4.25Å; V410-I424 HydrophobicContact CG1-CG2 4.18Å; K414-I424 WeakPolarHBondContact CE-O 3.31Å; K414-I424 PolarHBondContact NZ-O 2.92Å; K414-I424 VanDerWaalsContact NZ-O 3.11Å; A421-I424 PolarHBondContact O-N 2.82Å; I424-L427 HydrophobicContact CG2-CD2 3.7Å; I424-L427 HydrophobicContact CG2-CG 3.97Å |
| 425 | V | 88.5 | Confident | 88.3 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -52.6 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | V435 R437 E463 | V425-V435 HydrophobicContact CB-CB 4.29Å; V425-V435 HydrophobicContact CB-CG1 4.11Å; V425-V435 PolarHBondContact N-O 3.48Å; V425-R437 HydrophobicContact CG2-CB 3.69Å; V425-E463 HydrophobicContact CG2-CG 4.33Å |
| 426 | E | 88.8 | Confident | 88.5 | Confident | 91 Ų | 91 | 59 Ų | 59 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 136.8 | -171.5 | -171.3 | -171.4 | 173.1 | 0 | 0 | 109.6 | K428 V435 | E426-K428 HydrophobicContact CG-CG 4.38Å; E426-K428 WeakPolarHBondContact OE1-CE 3.36Å; E426-K428 IonicContact OE1-NZ 3.88Å; E426-K428 WeakPolarHBondContact OE2-CE 3.26Å; E426-K428 IonicContact OE2-NZ 3.6Å; E426-K428 PolarHBondContact OE2-NZ 3.24Å; E426-V435 HydrophobicContact CB-CB 4.11Å; E426-V435 HydrophobicContact CB-CG2 4.09Å; E426-V435 PolarHBondContact O-N 2.94Å |
| 427 | L | 89.1 | Confident | 88.7 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.9 | 174.6 | -68.3 | 175.9 | 0 | 0 | 0 | 109.9 | I393 L406 V410 I424 L429 A434 | I393-L427 HydrophobicContact CD1-CD2 3.71Å; I393-L427 HydrophobicContact CG1-CD2 4.32Å; L406-L427 HydrophobicContact CG-CD1 4.24Å; V410-L427 HydrophobicContact CB-CD1 4.37Å; V410-L427 HydrophobicContact CG2-CD1 4.04Å; I424-L427 HydrophobicContact CG2-CD2 3.7Å; I424-L427 HydrophobicContact CG2-CG 3.97Å; L427-L429 HydrophobicContact CB-CD1 4.47Å; L427-L429 HydrophobicContact CB-CD2 4.3Å; L427-L429 HydrophobicContact CB-CG 4.05Å; L427-L429 PolarHBondContact O-N 2.78Å; L427-A434 HydrophobicContact CD2-CB 4.02Å |
| 428 | K | 88.2 | Confident | 88.9 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 61.9 | 175.4 | -64.8 | -176.8 | -178.5 | 172.4 | 0 | 110.1 | E426 Q430 T431 S432 Q433 V435 | E426-K428 HydrophobicContact CG-CG 4.38Å; E426-K428 WeakPolarHBondContact OE1-CE 3.36Å; E426-K428 IonicContact OE1-NZ 3.88Å; E426-K428 WeakPolarHBondContact OE2-CE 3.26Å; E426-K428 IonicContact OE2-NZ 3.6Å; E426-K428 PolarHBondContact OE2-NZ 3.24Å; K428-Q430 PolarHBondContact O-N 2.85Å; K428-T431 PolarHBondContact O-N 3.38Å; K428-T431 PolarHBondContact O-OG1 3.49Å; K428-T431 VanDerWaalsContact O-OG1 3.07Å; K428-S432 PolarHBondContact O-N 2.96Å; K428-Q433 CarbonylContact C-O 3.59Å; K428-Q433 VanDerWaalsContact CA-O 3.23Å; K428-Q433 WeakPolarHBondContact CA-O 3.41Å; K428-Q433 HydrophobicContact CB-CB 4.16Å; K428-Q433 WeakPolarHBondContact CB-O 3.49Å; K428-Q433 PolarHBondContact N-O 2.83Å; K428-Q433 PolarHBondContact O-N 3.01Å; K428-V435 HydrophobicContact CD-CG2 4.47Å |
| 429 | L | 85.5 | Confident | 88.9 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -62.5 | -27.5 | -174.2 | -59.1 | 175.2 | 0 | 0 | 0 | 112.6 | I393 W403 L406 L427 T431 S432 I468 | I393-L429 HydrophobicContact CG2-CD2 4.28Å; W403-L429 HydrophobicContact CB-CD1 3.86Å; W403-L429 HydrophobicContact CD2-CB 4.13Å; W403-L429 HydrophobicContact CG-CB 4.18Å; W403-L429 HydrophobicContact CG-CD1 3.81Å; L406-L429 HydrophobicContact CD2-CD1 3.98Å; L427-L429 HydrophobicContact CB-CD1 4.47Å; L427-L429 HydrophobicContact CB-CD2 4.3Å; L427-L429 HydrophobicContact CB-CG 4.05Å; L427-L429 PolarHBondContact O-N 2.78Å; L429-T431 PolarHBondContact O-N 3.33Å; L429-S432 PolarHBondContact O-N 2.84Å; L429-S432 VanDerWaalsContact O-N 3.13Å; L429-I468 HydrophobicContact CD2-CD1 3.87Å |
| 430 | Q | 85.9 | Confident | 88.9 | Confident | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -57 | -29.2 | 173.2 | -66.9 | 180 | -9.2 | 0 | 0 | 113.4 | W403 K428 | W403-Q430 HydrophobicContact CE3-CG 4.4Å; W403-Q430 HydrophobicContact CH2-CG 4.49Å; W403-Q430 HydrophobicContact CZ3-CG 3.81Å; K428-Q430 PolarHBondContact O-N 2.85Å |
| 431 | T | 88.1 | Confident | 88.1 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -113.2 | 14.1 | 180 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | K428 L429 Q433 | K428-T431 PolarHBondContact O-N 3.38Å; K428-T431 PolarHBondContact O-OG1 3.49Å; K428-T431 VanDerWaalsContact O-OG1 3.07Å; L429-T431 PolarHBondContact O-N 3.33Å; T431-Q433 PolarHBondContact O-N 3.13Å |
| 432 | S | 90.1 | Very high | 87.3 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.9 | -172.4 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | K428 L429 I468 D469 | K428-S432 PolarHBondContact O-N 2.96Å; L429-S432 PolarHBondContact O-N 2.84Å; L429-S432 VanDerWaalsContact O-N 3.13Å; S432-I468 PolarHBondContact O-N 3.25Å; S432-D469 WeakPolarHBondContact CB-OD2 3.26Å; S432-D469 PolarHBondContact OG-OD2 2.87Å |
| 433 | Q | 92.7 | Very high | 86.2 | Confident | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.6 | -177.2 | -77.9 | 173.9 | 1.5 | 0 | 0 | 112.3 | K428 T431 V465 V466 D467 | K428-Q433 CarbonylContact C-O 3.59Å; K428-Q433 VanDerWaalsContact CA-O 3.23Å; K428-Q433 WeakPolarHBondContact CA-O 3.41Å; K428-Q433 HydrophobicContact CB-CB 4.16Å; K428-Q433 WeakPolarHBondContact CB-O 3.49Å; K428-Q433 PolarHBondContact N-O 2.83Å; K428-Q433 PolarHBondContact O-N 3.01Å; T431-Q433 PolarHBondContact O-N 3.13Å; Q433-V465 HydrophobicContact CB-CG1 4.09Å; Q433-V465 HydrophobicContact CG-CG1 4.07Å; Q433-V466 CarbonylContact C-O 3.56Å; Q433-V466 WeakPolarHBondContact CA-O 3.36Å; Q433-D467 VanDerWaalsContact CG-OD1 3.24Å; Q433-D467 WeakPolarHBondContact CG-OD1 3.47Å; Q433-D467 PolarHBondContact NE2-OD1 2.74Å |
| 434 | A | 91.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I393 L427 I436 V466 I468 | I393-A434 HydrophobicContact CD1-CB 4.09Å; L427-A434 HydrophobicContact CD2-CB 4.02Å; A434-I436 HydrophobicContact CB-CG1 4.36Å; A434-V466 PolarHBondContact N-O 3.26Å; A434-V466 PolarHBondContact O-N 2.85Å; A434-I468 HydrophobicContact CB-CD1 4.13Å; A434-I468 HydrophobicContact CB-CG1 4.02Å |
| 435 | V | 93.3 | Very high | 82.8 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.5 | 171.3 | -175 | 0 | 0 | 0 | 0 | 107.6 | V425 E426 K428 E463 V465 | V425-V435 HydrophobicContact CB-CB 4.29Å; V425-V435 HydrophobicContact CB-CG1 4.11Å; V425-V435 PolarHBondContact N-O 3.48Å; E426-V435 HydrophobicContact CB-CB 4.11Å; E426-V435 HydrophobicContact CB-CG2 4.09Å; E426-V435 PolarHBondContact O-N 2.94Å; K428-V435 HydrophobicContact CD-CG2 4.47Å; V435-E463 HydrophobicContact CG1-CB 3.94Å; V435-V465 HydrophobicContact CG2-CG2 4.4Å |
| 436 | I | 92.2 | Very high | 80.8 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.4 | -177.3 | -53.8 | -178.4 | 0 | 0 | 0 | 109.1 | V386 I389 H423 A434 L438 V464 V466 | V386-I436 HydrophobicContact CG1-CD1 4.19Å; I389-I436 HydrophobicContact CB-CD1 4.31Å; I389-I436 HydrophobicContact CD1-CD1 4.24Å; I389-I436 HydrophobicContact CD1-CG2 3.93Å; I389-I436 HydrophobicContact CG2-CD1 3.79Å; H423-I436 HydrophobicContact CB-CG2 4.13Å; H423-I436 CarbonylContact O-C 3.6Å; H423-I436 WeakPolarHBondContact O-CA 3.49Å; A434-I436 HydrophobicContact CB-CG1 4.36Å; I436-L438 HydrophobicContact CG2-CD2 3.65Å; I436-L438 HydrophobicContact CG2-CG 4.08Å; I436-V464 PolarHBondContact N-O 3Å; I436-V464 PolarHBondContact O-N 3.49Å; I436-V466 HydrophobicContact CB-CG2 4.29Å; I436-V466 HydrophobicContact CD1-CB 3.96Å; I436-V466 HydrophobicContact CD1-CG1 4.2Å; I436-V466 HydrophobicContact CD1-CG2 3.83Å; I436-V466 HydrophobicContact CG1-CB 4.36Å; I436-V466 HydrophobicContact CG1-CG2 4.09Å |
| 437 | R | 91.8 | Very high | 79.1 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 35% | 0.347 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.8 | 176.1 | -171.9 | 175.4 | -69.9 | 156.6 | 2.4 | 110 | H423 V425 Y461 E463 | H423-R437 PolarHBondContact ND1-O 3.48Å; H423-R437 PolarHBondContact O-N 3.32Å; V425-R437 HydrophobicContact CG2-CB 3.69Å; R437-Y461 HydrophobicContact CG-CD1 3.67Å; R437-Y461 HydrophobicContact CG-CG 3.86Å; R437-E463 IonicContact CZ-OE1 2.72Å; R437-E463 IonicContact NE-OE1 3.58Å; R437-E463 IonicContact NH2-OE1 3.99Å; R437-E463 PolarHBondContact NH2-OE1 3.3Å; R437-E463 VanDerWaalsContact NH2-OE1 3.08Å |
| 438 | L | 89.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.2 | -176.3 | -60.2 | 177.7 | 0 | 0 | 0 | 111 | L378 L379 N382 L385 V386 I436 T462 V464 | L378-L438 HydrophobicContact CB-CB 4.14Å; L378-L438 HydrophobicContact CB-CD1 4.31Å; L379-L438 HydrophobicContact CD2-CD1 3.72Å; L379-L438 HydrophobicContact CG-CD1 4.19Å; N382-L438 HydrophobicContact CB-CD2 3.87Å; L385-L438 HydrophobicContact CD2-CD2 4.06Å; V386-L438 HydrophobicContact CG2-CD1 3.99Å; V386-L438 HydrophobicContact CG2-CD2 3.76Å; I436-L438 HydrophobicContact CG2-CD2 3.65Å; I436-L438 HydrophobicContact CG2-CG 4.08Å; L438-T462 PolarHBondContact N-O 3.41Å; L438-T462 PolarHBondContact O-N 3.1Å; L438-V464 HydrophobicContact CD1-CB 4.19Å; L438-V464 HydrophobicContact CD1-CG2 3.97Å; L438-V464 HydrophobicContact CG-CG2 4.44Å |
| 439 | K | 86.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | trans | -118.1 | 154.5 | 170.6 | -177.3 | 168.3 | -179.9 | 173.6 | 0 | 108.7 | N382 P441 D459 Y461 | N382-K439 PolarHBondContact ND2-O 2.57Å; N382-K439 PolarHBondContact OD1-O 3.33Å; K439-P441 VanDerWaalsContact O-CD 3.23Å; K439-P441 WeakPolarHBondContact O-CD 3.36Å; K439-D459 IonicContact NZ-OD1 2.98Å; K439-D459 PolarHBondContact NZ-OD1 3.42Å; K439-Y461 HydrophobicContact CB-CD1 3.87Å; K439-Y461 HydrophobicContact CB-CE1 3.88Å; K439-Y461 HydrophobicContact CD-CE1 4.23Å | ||
| 440 | D | 82.7 | Confident | 73.3 | Confident | 17 Ų | 17 | 81.1 Ų | 81.1 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | trans | -72.2 | 115.2 | 175.3 | -175 | -8.8 | 0 | 0 | 0 | 109.9 | R374 Y377 L378 F442 E443 | R374-D440 IonicContact NH1-OD2 3.25Å; Y377-D440 HydrophobicContact CE1-CB 4.4Å; Y377-D440 WeakPolarHBondContact CE1-OD2 3.37Å; Y377-D440 PolarHBondContact OH-OD1 3.2Å; Y377-D440 PolarHBondContact OH-OD2 3.35Å; L378-D440 HydrophobicContact CD2-CB 3.99Å; D440-F442 PolarHBondContact O-N 2.7Å; D440-F442 PolarHBondContact OD1-N 3.24Å; D440-E443 HydrophobicContact CB-CB 4.04Å | ||
| 441 | P | 71.8 | Confident | 71.8 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.8 | -178.4 | 28.8 | -33.3 | 0 | 0 | 0 | 113.4 | A381 K439 | A381-P441 HydrophobicContact CB-CG 3.83Å; K439-P441 VanDerWaalsContact O-CD 3.23Å; K439-P441 WeakPolarHBondContact O-CD 3.36Å |
| 442 | F | 70.1 | Confident | 69.9 | Low | 118 Ų | 118 | 81.7 Ų | 81.7 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -4.1 | -177.9 | -59 | -71.4 | 0 | 0 | 0 | 113.8 | A381 D440 S444 S445 | A381-F442 HydrophobicContact CB-CD2 4.37Å; A381-F442 HydrophobicContact CB-CE2 4.24Å; D440-F442 PolarHBondContact O-N 2.7Å; D440-F442 PolarHBondContact OD1-N 3.24Å; F442-S444 PolarHBondContact O-N 2.71Å; F442-S444 VanDerWaalsContact O-N 3.09Å; F442-S445 PolarHBondContact O-N 3.48Å; F442-S445 PolarHBondContact O-OG 2.88Å |
| 443 | E | 64.4 | Low | 67.5 | Low | 102 Ų | 102 | 84.8 Ų | 84.8 | 48% | 0.477 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.2 | -173.7 | -161.3 | 163.6 | -145 | 0 | 0 | 113.1 | R374 D440 | R374-E443 IonicContact NH2-OE1 3.77Å; D440-E443 HydrophobicContact CB-CB 4.04Å |
| 444 | S | 55.3 | Low | 65.1 | Low | 118 Ų | 118 | 94 Ų | 94 | 83% | 0.825 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.3 | 177.1 | 38.9 | 0 | 0 | 0 | 0 | 115.1 | F442 | F442-S444 PolarHBondContact O-N 2.71Å; F442-S444 VanDerWaalsContact O-N 3.09Å |
| 445 | S | 53.3 | Low | 62.7 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -121.9 | 5.3 | -168 | 68.7 | 0 | 0 | 0 | 0 | 117.1 | F442 | F442-S445 PolarHBondContact O-N 3.48Å; F442-S445 PolarHBondContact O-OG 2.88Å |
| 446 | S | 47.1 | Very low | 60.1 | Low | 81 Ų | 81 | 102.2 Ų | 102.2 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | trans | -121 | 107.4 | 178 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | V448 | S446-V448 PolarHBondContact O-N 3.11Š| ||
| 447 | D | 51.7 | Low | 57.8 | Low | 178 Ų | 178 | 109 Ų | 109 | 95% | 0.952 | 60% | 0.598 | S | S | * | * | trans | -65.7 | 51.1 | 165.9 | -76 | -39 | 0 | 0 | 0 | 112.3 | ||||
| 448 | V | 50.9 | Low | 55.6 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | trans | -127.9 | 98.1 | -174.3 | -163 | 0 | 0 | 0 | 0 | 111.1 | S446 | S446-V448 PolarHBondContact O-N 3.11Š| ||
| 449 | D | 43.7 | Very low | 53.8 | Low | 115 Ų | 115 | 118 Ų | 118 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | 70.2 | 84.6 | 154.1 | -133.9 | -18.3 | 0 | 0 | 0 | 117.8 | T451 | D449-T451 PolarHBondContact O-N 2.8Å; D449-T451 PolarHBondContact OD1-OG1 2.9Å | ||
| 450 | E | 46.7 | Very low | 52.8 | Low | 198 Ų | 198 | 121.8 Ų | 121.8 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 9.8 | 173.1 | -97.7 | -173.4 | 148.2 | 0 | 0 | 115.6 | ||
| 451 | T | 54.1 | Low | 52.6 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -4.9 | -166.1 | -27.2 | 0 | 0 | 0 | 0 | 114.8 | D449 | D449-T451 PolarHBondContact O-N 2.8Å; D449-T451 PolarHBondContact OD1-OG1 2.9Å |
| 452 | L | 49.7 | Very low | 53.2 | Low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -115.8 | 1.7 | -175.2 | -74.4 | 169.5 | 0 | 0 | 0 | 116.3 | R454 | L452-R454 PolarHBondContact O-N 3.27Š|
| 453 | V | 39.9 | Very low | 54.2 | Low | 110 Ų | 110 | 124 Ų | 124 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | trans | -102.9 | 81.3 | 179.8 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 454 | R | 42.2 | Very low | 55.5 | Low | 242 Ų | 242 | 119.1 Ų | 119.1 | 91% | 0.913 | 65% | 0.645 | S | S | * | * | trans | -111.3 | 113.6 | 165 | -73.8 | -172.4 | 178.1 | -170.7 | 0.2 | 109.2 | L452 | L452-R454 PolarHBondContact O-N 3.27Š| ||
| 455 | S | 39.4 | Very low | 57.3 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 92% | 0.923 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 76.6 | 90.2 | 175.5 | -69 | 0 | 0 | 0 | 0 | 117.4 | ||
| 456 | G | 38.6 | Very low | 59.2 | Low | 50 Ų | 50 | 111.5 Ų | 111.5 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | S | Bend | trans | 171.5 | 125.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | K458 | G456-K458 PolarHBondContact O-N 2.91Š|
| 457 | N | 43.7 | Very low | 61.3 | Low | 143 Ų | 143 | 109.1 Ų | 109.1 | 77% | 0.765 | 57% | 0.571 | S | S | * | * | trans | -53.9 | 129.9 | -172.5 | -78.5 | -32 | 0 | 0 | 0 | 112.4 | D459 E460 | N457-D459 PolarHBondContact O-N 3.01Å; N457-E460 PolarHBondContact O-N 3.19Å | ||
| 458 | K | 46.5 | Very low | 63.2 | Low | 179 Ų | 179 | 100.8 Ų | 100.8 | 78% | 0.778 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 14.2 | -176.9 | -77.6 | -175.9 | 171.2 | -175.4 | 0 | 116 | G456 | G456-K458 PolarHBondContact O-N 2.91Š|
| 459 | D | 51.6 | Low | 65 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | 37.3 | -178.3 | -79.9 | -48.5 | 0 | 0 | 0 | 112.4 | K439 N457 Y461 | K439-D459 IonicContact NZ-OD1 2.98Å; K439-D459 PolarHBondContact NZ-OD1 3.42Å; N457-D459 PolarHBondContact O-N 3.01Å; D459-Y461 VanDerWaalsContact C-N 3.31Å; D459-Y461 WeakPolarHBondContact O-CD2 2.93Å; D459-Y461 PolarHBondContact O-N 2.92Å |
| 460 | E | 65.7 | Low | 67.4 | Low | 141 Ų | 141 | 97.4 Ų | 97.4 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | trans | -79 | 80.2 | -174.5 | -152.8 | 170.4 | -146.4 | 0 | 0 | 111.8 | N457 T462 | N457-E460 PolarHBondContact O-N 3.19Å; E460-T462 PolarHBondContact O-N 3.14Å | ||
| 461 | Y | 78.2 | Confident | 69.5 | Low | 118 Ų | 118 | 91.6 Ų | 91.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 124.4 | 161.5 | -72.5 | -84 | 0 | 0 | 0 | 109.6 | R437 K439 D459 | R437-Y461 HydrophobicContact CG-CD1 3.67Å; R437-Y461 HydrophobicContact CG-CG 3.86Å; K439-Y461 HydrophobicContact CB-CD1 3.87Å; K439-Y461 HydrophobicContact CB-CE1 3.88Å; K439-Y461 HydrophobicContact CD-CE1 4.23Å; D459-Y461 VanDerWaalsContact C-N 3.31Å; D459-Y461 WeakPolarHBondContact O-CD2 2.93Å; D459-Y461 PolarHBondContact O-N 2.92Å |
| 462 | T | 85.2 | Confident | 71.3 | Confident | 29 Ų | 29 | 86.4 Ų | 86.4 | 18% | 0.178 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.8 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | K375 L378 L438 E460 V464 | K375-T462 HydrophobicContact CG-CG2 4.36Å; L378-T462 HydrophobicContact CD1-CG2 4.05Å; L378-T462 WeakPolarHBondContact CD1-OG1 3.25Å; L438-T462 PolarHBondContact N-O 3.41Å; L438-T462 PolarHBondContact O-N 3.1Å; E460-T462 PolarHBondContact O-N 3.14Å; T462-V464 HydrophobicContact CG2-CG2 4.3Å |
| 463 | E | 90.4 | Very high | 73.4 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.5 | 174.6 | -62.4 | -174.8 | 166.3 | 0 | 0 | 109.9 | V425 V435 R437 | V425-E463 HydrophobicContact CG2-CG 4.33Å; V435-E463 HydrophobicContact CG1-CB 3.94Å; R437-E463 IonicContact CZ-OE1 2.72Å; R437-E463 IonicContact NE-OE1 3.58Å; R437-E463 IonicContact NH2-OE1 3.99Å; R437-E463 PolarHBondContact NH2-OE1 3.3Å; R437-E463 VanDerWaalsContact NH2-OE1 3.08Å |
| 464 | V | 91.6 | Very high | 76 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.3 | -177 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | K375 L379 I436 L438 T462 V466 Y479 | K375-V464 HydrophobicContact CB-CG1 4.19Å; K375-V464 HydrophobicContact CB-CG2 4.36Å; K375-V464 HydrophobicContact CG-CG1 4.4Å; K375-V464 HydrophobicContact CG-CG2 4.12Å; L379-V464 HydrophobicContact CD1-CG1 3.8Å; L379-V464 HydrophobicContact CD2-CG1 4.06Å; L379-V464 HydrophobicContact CG-CG1 3.93Å; I436-V464 PolarHBondContact N-O 3Å; I436-V464 PolarHBondContact O-N 3.49Å; L438-V464 HydrophobicContact CD1-CB 4.19Å; L438-V464 HydrophobicContact CD1-CG2 3.97Å; L438-V464 HydrophobicContact CG-CG2 4.44Å; T462-V464 HydrophobicContact CG2-CG2 4.3Å; V464-V466 HydrophobicContact CG1-CG2 4.33Å; V464-Y479 HydrophobicContact CG1-CE2 3.78Å |
| 465 | V | 93 | Very high | 78.5 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.3 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | Q433 V435 Y479 | Q433-V465 HydrophobicContact CB-CG1 4.09Å; Q433-V465 HydrophobicContact CG-CG1 4.07Å; V435-V465 HydrophobicContact CG2-CG2 4.4Å; V465-Y479 PolarHBondContact N-OH 2.84Å; V465-Y479 PolarHBondContact O-OH 3.33Å |
| 466 | V | 92.7 | Very high | 81.1 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.3 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L379 V386 I390 Q433 A434 I436 V464 N475 | L379-V466 HydrophobicContact CD2-CG2 3.71Å; V386-V466 HydrophobicContact CG1-CG1 3.85Å; V386-V466 HydrophobicContact CG1-CG2 4.41Å; I390-V466 HydrophobicContact CD1-CG1 3.94Å; I390-V466 HydrophobicContact CG1-CG1 4.31Å; Q433-V466 CarbonylContact C-O 3.56Å; Q433-V466 WeakPolarHBondContact CA-O 3.36Å; A434-V466 PolarHBondContact N-O 3.26Å; A434-V466 PolarHBondContact O-N 2.85Å; I436-V466 HydrophobicContact CB-CG2 4.29Å; I436-V466 HydrophobicContact CD1-CB 3.96Å; I436-V466 HydrophobicContact CD1-CG1 4.2Å; I436-V466 HydrophobicContact CD1-CG2 3.83Å; I436-V466 HydrophobicContact CG1-CB 4.36Å; I436-V466 HydrophobicContact CG1-CG2 4.09Å; V464-V466 HydrophobicContact CG1-CG2 4.33Å; V466-N475 HydrophobicContact CG1-CB 4.37Å; V466-N475 VanDerWaalsContact CG1-ND2 3.25Å; V466-N475 WeakPolarHBondContact CG1-ND2 3.47Å |
| 467 | D | 93.1 | Very high | 83.7 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 127 | 171.2 | -61.5 | -29.3 | 0 | 0 | 0 | 108.4 | Q433 D469 V470 N475 K478 | Q433-D467 VanDerWaalsContact CG-OD1 3.24Å; Q433-D467 WeakPolarHBondContact CG-OD1 3.47Å; Q433-D467 PolarHBondContact NE2-OD1 2.74Å; D467-D469 VanDerWaalsContact C-N 3.28Å; D467-D469 PolarHBondContact O-N 2.9Å; D467-V470 HydrophobicContact CB-CG2 3.93Å; D467-N475 WeakPolarHBondContact CB-OD1 3.3Å; D467-N475 PolarHBondContact N-OD1 2.93Å; D467-N475 PolarHBondContact O-ND2 2.86Å; D467-K478 VanDerWaalsContact CG-NZ 3.29Å; D467-K478 IonicContact OD1-NZ 2.85Å; D467-K478 PolarHBondContact OD1-NZ 2.95Å; D467-K478 VanDerWaalsContact OD1-NZ 3.15Å; D467-K478 IonicContact OD2-NZ 2.74Å; D467-K478 PolarHBondContact OD2-NZ 2.79Å |
| 468 | I | 90.4 | Very high | 86.1 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -22.6 | -175.6 | -56.4 | 160.4 | 0 | 0 | 0 | 111.1 | I390 I393 N394 L429 S432 A434 V470 | I390-I468 HydrophobicContact CG2-CG2 4.46Å; I390-I468 WeakPolarHBondContact CG2-O 3.41Å; I393-I468 HydrophobicContact CB-CG2 4.21Å; I393-I468 HydrophobicContact CG2-CD1 4.03Å; I393-I468 HydrophobicContact CG2-CG2 3.89Å; N394-I468 PolarHBondContact ND2-O 3.31Å; N394-I468 WeakPolarHBondContact OD1-CG2 3.31Å; L429-I468 HydrophobicContact CD2-CD1 3.87Å; S432-I468 PolarHBondContact O-N 3.25Å; A434-I468 HydrophobicContact CB-CD1 4.13Å; A434-I468 HydrophobicContact CB-CG1 4.02Å; I468-V470 VanDerWaalsContact C-N 3.27Å; I468-V470 PolarHBondContact O-N 2.99Å |
| 469 | D | 89.7 | Confident | 88.4 | Confident | 115 Ų | 115 | 55.2 Ų | 55.2 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14 | -178.1 | -58.7 | -33 | 0 | 0 | 0 | 113.6 | S432 D467 | S432-D469 WeakPolarHBondContact CB-OD2 3.26Å; S432-D469 PolarHBondContact OG-OD2 2.87Å; D467-D469 VanDerWaalsContact C-N 3.28Å; D467-D469 PolarHBondContact O-N 2.9Å |
| 470 | V | 92.4 | Very high | 90.5 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -132.1 | 153.2 | -174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | I390 D467 I468 T474 N475 | I390-V470 WeakPolarHBondContact CD1-O 3.3Å; D467-V470 HydrophobicContact CB-CG2 3.93Å; I468-V470 VanDerWaalsContact C-N 3.27Å; I468-V470 PolarHBondContact O-N 2.99Å; V470-T474 HydrophobicContact CB-CG2 4.05Å; V470-T474 HydrophobicContact CG1-CG2 4.34Å; V470-T474 HydrophobicContact CG2-CG2 4.15Å; V470-N475 WeakPolarHBondContact CG2-ND2 3.35Å; V470-N475 PolarHBondContact O-ND2 3.22Å; V470-N475 VanDerWaalsContact O-ND2 3.14Å |
| 471 | N | 92.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | trans | -66.4 | 164.8 | 179.1 | 65.3 | 24.6 | 0 | 0 | 0 | 113.4 | L473 T474 N475 | N471-L473 VanDerWaalsContact C-N 3.27Å; N471-L473 PolarHBondContact O-N 2.63Å; N471-T474 PolarHBondContact O-N 2.95Å; N471-T474 VanDerWaalsContact O-N 3.14Å; N471-T474 VanDerWaalsContact OD1-CB 3.25Å; N471-T474 WeakPolarHBondContact OD1-CB 3.03Å; N471-T474 PolarHBondContact OD1-N 2.66Å; N471-T474 PolarHBondContact OD1-OG1 2.92Å; N471-N475 PolarHBondContact O-N 3.11Å; N471-N475 VanDerWaalsContact O-N 3.09Å; N471-N475 PolarHBondContact O-ND2 3.48Å | ||
| 472 | A | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56 | -38.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R383 V386 D387 N475 A476 | R383-A472 HydrophobicContact CG-CB 4.18Å; V386-A472 HydrophobicContact CB-CB 3.75Å; V386-A472 HydrophobicContact CG1-CB 3.62Å; D387-A472 VanDerWaalsContact OD1-CB 3.27Å; D387-A472 WeakPolarHBondContact OD1-CB 3.43Å; D387-A472 PolarHBondContact OD1-N 3.23Å; A472-N475 WeakPolarHBondContact O-CB 3.45Å; A472-N475 PolarHBondContact O-N 3.49Å; A472-A476 PolarHBondContact O-N 3.35Å |
| 473 | L | 93.2 | Very high | 93 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.2 | -36.2 | -179.4 | -169.8 | 67.7 | 0 | 0 | 0 | 112.4 | N471 A476 R477 | N471-L473 VanDerWaalsContact C-N 3.27Å; N471-L473 PolarHBondContact O-N 2.63Å; L473-A476 PolarHBondContact O-N 2.98Å; L473-R477 WeakPolarHBondContact O-CG 3.36Å; L473-R477 PolarHBondContact O-N 3.38Å |
| 474 | T | 94.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 176.3 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | V470 N471 A476 R477 K478 | V470-T474 HydrophobicContact CB-CG2 4.05Å; V470-T474 HydrophobicContact CG1-CG2 4.34Å; V470-T474 HydrophobicContact CG2-CG2 4.15Å; N471-T474 PolarHBondContact O-N 2.95Å; N471-T474 VanDerWaalsContact O-N 3.14Å; N471-T474 VanDerWaalsContact OD1-CB 3.25Å; N471-T474 WeakPolarHBondContact OD1-CB 3.03Å; N471-T474 PolarHBondContact OD1-N 2.66Å; N471-T474 PolarHBondContact OD1-OG1 2.92Å; T474-A476 PolarHBondContact O-N 3.22Å; T474-R477 PolarHBondContact O-N 3.41Å; T474-K478 PolarHBondContact O-N 3.38Å |
| 475 | N | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 169.3 | -82 | -59.1 | 0 | 0 | 0 | 111.7 | L379 V466 D467 V470 N471 A472 R477 K478 Y479 | L379-N475 HydrophobicContact CD1-CB 4.09Å; V466-N475 HydrophobicContact CG1-CB 4.37Å; V466-N475 VanDerWaalsContact CG1-ND2 3.25Å; V466-N475 WeakPolarHBondContact CG1-ND2 3.47Å; D467-N475 WeakPolarHBondContact CB-OD1 3.3Å; D467-N475 PolarHBondContact N-OD1 2.93Å; D467-N475 PolarHBondContact O-ND2 2.86Å; V470-N475 WeakPolarHBondContact CG2-ND2 3.35Å; V470-N475 PolarHBondContact O-ND2 3.22Å; V470-N475 VanDerWaalsContact O-ND2 3.14Å; N471-N475 PolarHBondContact O-N 3.11Å; N471-N475 VanDerWaalsContact O-N 3.09Å; N471-N475 PolarHBondContact O-ND2 3.48Å; A472-N475 WeakPolarHBondContact O-CB 3.45Å; A472-N475 PolarHBondContact O-N 3.49Å; N475-R477 PolarHBondContact O-N 2.81Å; N475-K478 VanDerWaalsContact O-CB 3.29Å; N475-K478 WeakPolarHBondContact O-CB 3.36Å; N475-K478 PolarHBondContact O-N 2.96Å; N475-Y479 VanDerWaalsContact O-CD2 3.28Å; N475-Y479 WeakPolarHBondContact O-CD2 3.15Å; N475-Y479 PolarHBondContact O-N 2.66Å |
| 476 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L379 E380 A472 L473 T474 K478 Y479 Y480 | L379-A476 HydrophobicContact CB-CB 3.84Å; L379-A476 HydrophobicContact CD1-CB 4.39Å; E380-A476 HydrophobicContact CG-CB 3.84Å; A472-A476 PolarHBondContact O-N 3.35Å; L473-A476 PolarHBondContact O-N 2.98Å; T474-A476 PolarHBondContact O-N 3.22Å; A476-K478 VanDerWaalsContact C-N 3.29Å; A476-K478 PolarHBondContact O-N 2.98Å; A476-Y479 PolarHBondContact O-N 3.49Å; A476-Y479 VanDerWaalsContact O-N 3.12Å; A476-Y480 WeakPolarHBondContact O-CD2 3.41Å; A476-Y480 PolarHBondContact O-N 2.87Å |
| 477 | R | 94.6 | Very high | 93 | Very high | 150 Ų | 150 | 57.5 Ų | 57.5 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.7 | -39.8 | 175.1 | -74.8 | 175.2 | -177.5 | -173.5 | 1.3 | 112.3 | L473 T474 N475 Y479 Y480 D481 | L473-R477 WeakPolarHBondContact O-CG 3.36Å; L473-R477 PolarHBondContact O-N 3.38Å; T474-R477 PolarHBondContact O-N 3.41Å; N475-R477 PolarHBondContact O-N 2.81Å; R477-Y479 VanDerWaalsContact C-N 3.28Å; R477-Y479 PolarHBondContact O-N 2.97Å; R477-Y480 PolarHBondContact O-N 3.12Å; R477-D481 PolarHBondContact O-N 3.46Å |
| 478 | K | 94.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 35% | 0.352 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.6 | -42.8 | 176 | -169.9 | -178.9 | -178.4 | 179.7 | 0 | 111.5 | D467 T474 N475 A476 K482 | D467-K478 VanDerWaalsContact CG-NZ 3.29Å; D467-K478 IonicContact OD1-NZ 2.85Å; D467-K478 PolarHBondContact OD1-NZ 2.95Å; D467-K478 VanDerWaalsContact OD1-NZ 3.15Å; D467-K478 IonicContact OD2-NZ 2.74Å; D467-K478 PolarHBondContact OD2-NZ 2.79Å; T474-K478 PolarHBondContact O-N 3.38Å; N475-K478 VanDerWaalsContact O-CB 3.29Å; N475-K478 WeakPolarHBondContact O-CB 3.36Å; N475-K478 PolarHBondContact O-N 2.96Å; A476-K478 VanDerWaalsContact C-N 3.29Å; A476-K478 PolarHBondContact O-N 2.98Å; K478-K482 WeakPolarHBondContact O-CG 3.49Å; K478-K482 PolarHBondContact O-N 3.48Å |
| 479 | Y | 94.2 | Very high | 93 | Very high | 11 Ų | 11 | 68.5 Ų | 68.5 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 176.6 | -72 | -75.5 | 0 | 0 | 0 | 113.1 | K375 L379 V464 V465 N475 A476 R477 D481 K482 K483 | K375-Y479 HydrophobicContact CB-CD1 4Å; K375-Y479 HydrophobicContact CB-CD2 4.4Å; K375-Y479 HydrophobicContact CB-CE1 4.15Å; K375-Y479 HydrophobicContact CB-CG 4.14Å; K375-Y479 HydrophobicContact CD-CD1 4.1Å; K375-Y479 HydrophobicContact CD-CE1 3.61Å; L379-Y479 HydrophobicContact CD1-CD2 3.56Å; L379-Y479 HydrophobicContact CD1-CE2 3.66Å; V464-Y479 HydrophobicContact CG1-CE2 3.78Å; V465-Y479 PolarHBondContact N-OH 2.84Å; V465-Y479 PolarHBondContact O-OH 3.33Å; N475-Y479 VanDerWaalsContact O-CD2 3.28Å; N475-Y479 WeakPolarHBondContact O-CD2 3.15Å; N475-Y479 PolarHBondContact O-N 2.66Å; A476-Y479 PolarHBondContact O-N 3.49Å; A476-Y479 VanDerWaalsContact O-N 3.12Å; R477-Y479 VanDerWaalsContact C-N 3.28Å; R477-Y479 PolarHBondContact O-N 2.97Å; Y479-D481 VanDerWaalsContact C-N 3.31Å; Y479-D481 PolarHBondContact O-N 3.28Å; Y479-K482 HydrophobicContact CD1-CD 4.28Å; Y479-K482 WeakPolarHBondContact O-CB 2.97Å; Y479-K482 PolarHBondContact O-N 3Å; Y479-K483 PolarHBondContact O-N 2.75Å |
| 480 | Y | 94.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 64.4 Ų | 64.4 | 26% | 0.255 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 173.2 | -78.6 | -60.7 | 0 | 0 | 0 | 113.1 | A376 E380 A476 R477 K483 R484 | A376-Y480 HydrophobicContact CB-CD1 4.02Å; A376-Y480 HydrophobicContact CB-CD2 3.74Å; A376-Y480 HydrophobicContact CB-CE1 3.88Å; A376-Y480 HydrophobicContact CB-CE2 3.6Å; A376-Y480 HydrophobicContact CB-CG 3.95Å; E380-Y480 HydrophobicContact CG-CE2 4.42Å; E380-Y480 WeakPolarHBondContact OE1-CE2 3.42Å; E380-Y480 WeakPolarHBondContact OE2-CE2 3.4Å; E380-Y480 PolarHBondContact OE2-OH 3.2Å; A476-Y480 WeakPolarHBondContact O-CD2 3.41Å; A476-Y480 PolarHBondContact O-N 2.87Å; R477-Y480 PolarHBondContact O-N 3.12Å; Y480-K483 PolarHBondContact O-N 2.87Å; Y480-R484 WeakPolarHBondContact O-CG 3.36Å; Y480-R484 PolarHBondContact O-N 3.3Å |
| 481 | D | 94.6 | Very high | 93 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71 | -36.5 | 176.5 | -73.1 | -27.7 | 0 | 0 | 0 | 111.7 | R477 Y479 R484 A485 | R477-D481 PolarHBondContact O-N 3.46Å; Y479-D481 VanDerWaalsContact C-N 3.31Å; Y479-D481 PolarHBondContact O-N 3.28Å; D481-R484 PolarHBondContact O-N 3.37Å; D481-R484 IonicContact OD1-NH1 3.74Å; D481-R484 PolarHBondContact OD1-NH1 3.07Å; D481-A485 WeakPolarHBondContact O-CB 3.4Å; D481-A485 PolarHBondContact O-N 3.24Å |
| 482 | K | 93 | Very high | 93 | Very high | 94 Ų | 94 | 71.7 Ų | 71.7 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 168.4 | -75.2 | 177.1 | 177.3 | -176.9 | 0 | 111.7 | D372 K478 Y479 R484 A485 A486 | D372-K482 WeakPolarHBondContact OD2-CB 3.4Å; K478-K482 WeakPolarHBondContact O-CG 3.49Å; K478-K482 PolarHBondContact O-N 3.48Å; Y479-K482 HydrophobicContact CD1-CD 4.28Å; Y479-K482 WeakPolarHBondContact O-CB 2.97Å; Y479-K482 PolarHBondContact O-N 3Å; K482-R484 PolarHBondContact O-N 2.94Å; K482-A485 WeakPolarHBondContact O-CB 3.34Å; K482-A485 PolarHBondContact O-N 3.01Å; K482-A485 VanDerWaalsContact O-N 3.13Å; K482-A486 WeakPolarHBondContact O-CB 3.04Å; K482-A486 PolarHBondContact O-N 2.91Å |
| 483 | K | 93.9 | Very high | 92.9 | Very high | 71 Ų | 71 | 73.8 Ų | 73.8 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.7 | -178.8 | -108.4 | 179.3 | 160.4 | 0 | 112.5 | Q369 D372 Y479 Y480 A486 S487 | Q369-K483 HydrophobicContact CB-CG 4.4Å; D372-K483 HydrophobicContact CB-CB 4.32Å; Y479-K483 PolarHBondContact O-N 2.75Å; Y480-K483 PolarHBondContact O-N 2.87Å; K483-A486 PolarHBondContact O-N 3.14Å; K483-S487 WeakPolarHBondContact O-CB 3.37Å; K483-S487 PolarHBondContact O-N 3.35Å |
| 484 | R | 92.7 | Very high | 92.8 | Very high | 159 Ų | 159 | 73.5 Ų | 73.5 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.2 | -73.5 | 172.3 | -179.6 | 168.2 | -2.7 | 112.1 | Y480 D481 K482 K488 | Y480-R484 WeakPolarHBondContact O-CG 3.36Å; Y480-R484 PolarHBondContact O-N 3.3Å; D481-R484 PolarHBondContact O-N 3.37Å; D481-R484 IonicContact OD1-NH1 3.74Å; D481-R484 PolarHBondContact OD1-NH1 3.07Å; K482-R484 PolarHBondContact O-N 2.94Å; R484-K488 WeakPolarHBondContact O-CG 3.41Å; R484-K488 PolarHBondContact O-N 3.37Å; R484-K488 VanDerWaalsContact O-N 3.11Å |
| 485 | A | 92.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D481 K482 K488 K489 | D481-A485 WeakPolarHBondContact O-CB 3.4Å; D481-A485 PolarHBondContact O-N 3.24Å; K482-A485 WeakPolarHBondContact O-CB 3.34Å; K482-A485 PolarHBondContact O-N 3.01Å; K482-A485 VanDerWaalsContact O-N 3.13Å; A485-K488 PolarHBondContact O-N 3.44Å; A485-K489 WeakPolarHBondContact O-CG 3.5Å; A485-K489 PolarHBondContact O-N 3.29Å |
| 486 | A | 91.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 78.4 Ų | 78.4 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q369 K482 K483 K488 K489 E490 | Q369-A486 HydrophobicContact CG-CB 3.51Å; K482-A486 WeakPolarHBondContact O-CB 3.04Å; K482-A486 PolarHBondContact O-N 2.91Å; K483-A486 PolarHBondContact O-N 3.14Å; A486-K488 PolarHBondContact O-N 3.27Å; A486-K489 CarbonylContact O-C 3.53Å; A486-K489 WeakPolarHBondContact O-CA 3.09Å; A486-K489 WeakPolarHBondContact O-CB 3.47Å; A486-K489 PolarHBondContact O-N 3.07Å; A486-E490 PolarHBondContact O-N 3.46Å |
| 487 | S | 91.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 79.4 Ų | 79.4 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | K483 K489 E490 E491 | K483-S487 WeakPolarHBondContact O-CB 3.37Å; K483-S487 PolarHBondContact O-N 3.35Å; S487-K489 VanDerWaalsContact C-N 3.29Å; S487-K489 PolarHBondContact O-N 3.42Å; S487-E490 WeakPolarHBondContact O-CB 3.42Å; S487-E490 PolarHBondContact O-N 3.24Å; S487-E491 PolarHBondContact O-N 3.16Å; S487-E491 VanDerWaalsContact O-N 3.12Å |
| 488 | K | 92.9 | Very high | 92 | Very high | 140 Ų | 140 | 79.4 Ų | 79.4 | 61% | 0.609 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.4 | -32.5 | 172.9 | -73.5 | 178.2 | -179.6 | 177.1 | 0 | 112.7 | R484 A485 A486 K492 | R484-K488 WeakPolarHBondContact O-CG 3.41Å; R484-K488 PolarHBondContact O-N 3.37Å; R484-K488 VanDerWaalsContact O-N 3.11Å; A485-K488 PolarHBondContact O-N 3.44Å; A486-K488 PolarHBondContact O-N 3.27Å; K488-K492 VanDerWaalsContact O-CG 3.31Å; K488-K492 WeakPolarHBondContact O-CG 3.41Å; K488-K492 PolarHBondContact O-N 3.38Å |
| 489 | K | 91 | Very high | 91.8 | Very high | 123 Ų | 123 | 83.3 Ų | 83.3 | 54% | 0.535 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 173.9 | -71.9 | 174.1 | -177 | 177.1 | 0 | 111.1 | A485 A486 S487 K492 T493 | A485-K489 WeakPolarHBondContact O-CG 3.5Å; A485-K489 PolarHBondContact O-N 3.29Å; A486-K489 CarbonylContact O-C 3.53Å; A486-K489 WeakPolarHBondContact O-CA 3.09Å; A486-K489 WeakPolarHBondContact O-CB 3.47Å; A486-K489 PolarHBondContact O-N 3.07Å; S487-K489 VanDerWaalsContact C-N 3.29Å; S487-K489 PolarHBondContact O-N 3.42Å; K489-K492 PolarHBondContact O-N 3.31Å; K489-T493 WeakPolarHBondContact O-CB 3.41Å; K489-T493 PolarHBondContact O-N 3.47Å; K489-T493 PolarHBondContact O-OG1 2.88Å |
| 490 | E | 91.6 | Very high | 91.5 | Very high | 30 Ų | 30 | 85.4 Ų | 85.4 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 176.1 | -175.2 | -172.8 | 169.1 | 0 | 0 | 111.3 | L362 K366 Q369 A486 S487 K492 T493 I494 | L362-E490 HydrophobicContact CD2-CG 4.13Å; K366-E490 WeakPolarHBondContact CE-OE1 3.16Å; K366-E490 IonicContact NZ-OE1 3.08Å; Q369-E490 PolarHBondContact NE2-OE2 3.06Å; A486-E490 PolarHBondContact O-N 3.46Å; S487-E490 WeakPolarHBondContact O-CB 3.42Å; S487-E490 PolarHBondContact O-N 3.24Å; E490-K492 VanDerWaalsContact C-N 3.32Å; E490-K492 PolarHBondContact O-N 2.64Å; E490-T493 CarbonylContact O-C 3.55Å; E490-T493 WeakPolarHBondContact O-CA 3.41Å; E490-T493 WeakPolarHBondContact O-CB 3.42Å; E490-T493 PolarHBondContact O-N 3.08Å; E490-I494 HydrophobicContact CG-CD1 4.05Å; E490-I494 HydrophobicContact CG-CG1 4.5Å; E490-I494 WeakPolarHBondContact O-CG1 3.28Å; E490-I494 PolarHBondContact O-N 3.18Å |
| 491 | E | 91.6 | Very high | 91.3 | Very high | 128 Ų | 128 | 84.7 Ų | 84.7 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | -179.4 | -170.3 | -171.3 | 174.8 | 0 | 0 | 112.1 | S487 T493 I494 N495 | S487-E491 PolarHBondContact O-N 3.16Å; S487-E491 VanDerWaalsContact O-N 3.12Å; E491-T493 VanDerWaalsContact C-N 3.33Å; E491-T493 PolarHBondContact O-N 3.32Å; E491-I494 PolarHBondContact O-N 3.35Å; E491-N495 PolarHBondContact O-N 2.98Å; E491-N495 PolarHBondContact O-ND2 3.06Å |
| 492 | K | 91.3 | Very high | 91.1 | Very high | 148 Ų | 148 | 88.1 Ų | 88.1 | 64% | 0.643 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 174.5 | -71.9 | 176 | -178 | -178.9 | 0 | 111.5 | K488 K489 E490 N495 V496 | K488-K492 VanDerWaalsContact O-CG 3.31Å; K488-K492 WeakPolarHBondContact O-CG 3.41Å; K488-K492 PolarHBondContact O-N 3.38Å; K489-K492 PolarHBondContact O-N 3.31Å; E490-K492 VanDerWaalsContact C-N 3.32Å; E490-K492 PolarHBondContact O-N 2.64Å; K492-N495 PolarHBondContact O-N 3.08Å; K492-V496 VanDerWaalsContact O-CG2 3.32Å; K492-V496 WeakPolarHBondContact O-CG2 3.35Å; K492-V496 PolarHBondContact O-N 3.48Å |
| 493 | T | 90.4 | Very high | 91 | Very high | 44 Ų | 44 | 86.5 Ų | 86.5 | 27% | 0.27 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L362 L365 K489 E490 E491 V496 S497 | L362-T493 HydrophobicContact CD2-CG2 3.83Å; L362-T493 HydrophobicContact CG-CG2 4.47Å; L365-T493 HydrophobicContact CD1-CG2 4.44Å; K489-T493 WeakPolarHBondContact O-CB 3.41Å; K489-T493 PolarHBondContact O-N 3.47Å; K489-T493 PolarHBondContact O-OG1 2.88Å; E490-T493 CarbonylContact O-C 3.55Å; E490-T493 WeakPolarHBondContact O-CA 3.41Å; E490-T493 WeakPolarHBondContact O-CB 3.42Å; E490-T493 PolarHBondContact O-N 3.08Å; E491-T493 VanDerWaalsContact C-N 3.33Å; E491-T493 PolarHBondContact O-N 3.32Å; T493-V496 PolarHBondContact O-N 2.59Å; T493-S497 WeakPolarHBondContact O-CB 3.25Å; T493-S497 PolarHBondContact O-N 2.85Å |
| 494 | I | 91.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 83.9 Ų | 83.9 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 175.5 | -68 | 170.9 | 0 | 0 | 0 | 110.9 | L362 E490 E491 V496 S497 R498 | L362-I494 HydrophobicContact CD1-CG1 4.07Å; L362-I494 HydrophobicContact CD2-CD1 4.41Å; L362-I494 HydrophobicContact CD2-CG1 3.56Å; L362-I494 HydrophobicContact CG-CG1 4.49Å; E490-I494 HydrophobicContact CG-CD1 4.05Å; E490-I494 HydrophobicContact CG-CG1 4.5Å; E490-I494 WeakPolarHBondContact O-CG1 3.28Å; E490-I494 PolarHBondContact O-N 3.18Å; E491-I494 PolarHBondContact O-N 3.35Å; I494-V496 PolarHBondContact O-N 3.18Å; I494-S497 PolarHBondContact O-N 2.99Å; I494-R498 WeakPolarHBondContact O-CG 3.32Å; I494-R498 PolarHBondContact O-N 3.41Å |
| 495 | N | 90.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 79.5 Ų | 79.5 | 40% | 0.401 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | -178.8 | -75.8 | -28.8 | 0 | 0 | 0 | 112.6 | E491 K492 R498 K499 | E491-N495 PolarHBondContact O-N 2.98Å; E491-N495 PolarHBondContact O-ND2 3.06Å; K492-N495 PolarHBondContact O-N 3.08Å; N495-R498 PolarHBondContact OD1-NH1 2.79Å; N495-K499 PolarHBondContact O-N 2.94Å |
| 496 | V | 90 | Very high | 90.3 | Very high | 90 Ų | 90 | 82.2 Ų | 82.2 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 173 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | K492 T493 I494 R498 K499 V500 | K492-V496 VanDerWaalsContact O-CG2 3.32Å; K492-V496 WeakPolarHBondContact O-CG2 3.35Å; K492-V496 PolarHBondContact O-N 3.48Å; T493-V496 PolarHBondContact O-N 2.59Å; I494-V496 PolarHBondContact O-N 3.18Å; V496-R498 PolarHBondContact O-N 3.11Å; V496-K499 PolarHBondContact O-N 2.84Å; V496-V500 HydrophobicContact CG1-CG2 4.11Å; V496-V500 VanDerWaalsContact O-CG2 3.31Å; V496-V500 WeakPolarHBondContact O-CG2 3.36Å; V496-V500 PolarHBondContact O-N 2.93Å |
| 497 | S | 89.1 | Confident | 90 | Very high | 21 Ų | 21 | 86.1 Ų | 86.1 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -54.8 | -48.7 | 178.2 | 158.4 | 0 | 0 | 0 | 0 | 112 | Q358 T493 I494 K499 V500 L501 | Q358-S497 VanDerWaalsContact CD-OG 3.28Å; Q358-S497 PolarHBondContact OE1-O 3.11Å; Q358-S497 PolarHBondContact OE1-OG 2.9Å; T493-S497 WeakPolarHBondContact O-CB 3.25Å; T493-S497 PolarHBondContact O-N 2.85Å; I494-S497 PolarHBondContact O-N 2.99Å; S497-K499 PolarHBondContact O-N 2.86Å; S497-V500 PolarHBondContact O-N 3.27Å; S497-L501 WeakPolarHBondContact O-CB 3.46Å; S497-L501 PolarHBondContact O-N 3.26Å |
| 498 | R | 89.8 | Confident | 89.7 | Confident | 150 Ų | 150 | 84.2 Ų | 84.2 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.9 | -44.5 | 177 | -72.2 | 177.3 | -172 | 149.3 | -3.3 | 112.7 | I494 N495 V496 K502 | I494-R498 WeakPolarHBondContact O-CG 3.32Å; I494-R498 PolarHBondContact O-N 3.41Å; N495-R498 PolarHBondContact OD1-NH1 2.79Å; V496-R498 PolarHBondContact O-N 3.11Å; R498-K502 WeakPolarHBondContact O-CG 3.48Å; R498-K502 PolarHBondContact O-N 3.17Å |
| 499 | K | 90.5 | Very high | 89.2 | Confident | 163 Ų | 163 | 81.8 Ų | 81.8 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 178.6 | -72.2 | -178.5 | 179.7 | -178.6 | 0 | 111.4 | N495 V496 S497 K502 S503 | N495-K499 PolarHBondContact O-N 2.94Å; V496-K499 PolarHBondContact O-N 2.84Å; S497-K499 PolarHBondContact O-N 2.86Å; K499-K502 PolarHBondContact O-N 2.98Å; K499-S503 WeakPolarHBondContact O-CB 3.35Å; K499-S503 PolarHBondContact O-N 3.21Å; K499-S503 PolarHBondContact O-OG 2.84Å |
| 500 | V | 88.7 | Confident | 88.6 | Confident | 56 Ų | 56 | 79.8 Ų | 79.8 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I354 V496 S497 S503 A504 | I354-V500 HydrophobicContact CG2-CG1 4.15Å; V496-V500 HydrophobicContact CG1-CG2 4.11Å; V496-V500 VanDerWaalsContact O-CG2 3.31Å; V496-V500 WeakPolarHBondContact O-CG2 3.36Å; V496-V500 PolarHBondContact O-N 2.93Å; S497-V500 PolarHBondContact O-N 3.27Å; V500-S503 PolarHBondContact O-N 2.98Å; V500-S503 PolarHBondContact O-OG 2.64Å; V500-A504 WeakPolarHBondContact O-CB 3.16Å; V500-A504 PolarHBondContact O-N 3.05Å |
| 501 | L | 89.6 | Confident | 87.9 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | -179.9 | -170.8 | 124.6 | 0 | 0 | 0 | 112.2 | K355 S497 S503 A504 I505 | K355-L501 HydrophobicContact CB-CD1 4.08Å; K355-L501 HydrophobicContact CG-CD1 4.17Å; S497-L501 WeakPolarHBondContact O-CB 3.46Å; S497-L501 PolarHBondContact O-N 3.26Å; L501-S503 VanDerWaalsContact C-N 3.34Å; L501-S503 PolarHBondContact O-N 2.81Å; L501-A504 PolarHBondContact O-N 2.68Å; L501-I505 HydrophobicContact CD2-CD1 3.63Å; L501-I505 HydrophobicContact CG-CD1 4.1Å; L501-I505 WeakPolarHBondContact O-CG1 3.42Å; L501-I505 PolarHBondContact O-N 3.31Å |
| 502 | K | 90.8 | Very high | 87.1 | Confident | 158 Ų | 158 | 81.1 Ų | 81.1 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.8 | -45.7 | 174.1 | -75 | -175.9 | 178.2 | -171.7 | 0 | 112 | R498 K499 A504 H506 | R498-K502 WeakPolarHBondContact O-CG 3.48Å; R498-K502 PolarHBondContact O-N 3.17Å; K499-K502 PolarHBondContact O-N 2.98Å; K502-A504 PolarHBondContact O-N 3.35Å; K502-H506 WeakPolarHBondContact O-CB 3.49Å; K502-H506 PolarHBondContact O-N 3.31Å |
| 503 | S | 89.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 178.6 | 76 | 0 | 0 | 0 | 0 | 112.7 | K499 V500 L501 N507 | K499-S503 WeakPolarHBondContact O-CB 3.35Å; K499-S503 PolarHBondContact O-N 3.21Å; K499-S503 PolarHBondContact O-OG 2.84Å; V500-S503 PolarHBondContact O-N 2.98Å; V500-S503 PolarHBondContact O-OG 2.64Å; L501-S503 VanDerWaalsContact C-N 3.34Å; L501-S503 PolarHBondContact O-N 2.81Å; S503-N507 VanDerWaalsContact O-CB 3.28Å; S503-N507 WeakPolarHBondContact O-CB 3.32Å; S503-N507 PolarHBondContact O-N 3.09Å; S503-N507 PolarHBondContact O-ND2 3.35Å |
| 504 | A | 88 | Confident | 85.1 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I354 V500 L501 K502 A508 | I354-A504 HydrophobicContact CD1-CB 4.13Å; V500-A504 WeakPolarHBondContact O-CB 3.16Å; V500-A504 PolarHBondContact O-N 3.05Å; L501-A504 PolarHBondContact O-N 2.68Å; K502-A504 PolarHBondContact O-N 3.35Å; A504-A508 WeakPolarHBondContact O-CB 3.47Å; A504-A508 PolarHBondContact O-N 3.41Å |
| 505 | I | 89.3 | Confident | 84 | Confident | 66 Ų | 66 | 82 Ų | 82 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 175.2 | -67.8 | 166.8 | 0 | 0 | 0 | 110.2 | V351 L501 N507 A508 E509 | V351-I505 HydrophobicContact CG1-CG1 3.94Å; L501-I505 HydrophobicContact CD2-CD1 3.63Å; L501-I505 HydrophobicContact CG-CD1 4.1Å; L501-I505 WeakPolarHBondContact O-CG1 3.42Å; L501-I505 PolarHBondContact O-N 3.31Å; I505-N507 VanDerWaalsContact C-N 3.34Å; I505-N507 PolarHBondContact O-N 3Å; I505-A508 WeakPolarHBondContact O-CA 3.46Å; I505-A508 WeakPolarHBondContact O-CB 3.31Å; I505-A508 PolarHBondContact O-N 3.16Å; I505-E509 HydrophobicContact CG2-CG 4.43Å; I505-E509 WeakPolarHBondContact O-CG 3.35Å; I505-E509 PolarHBondContact O-N 3.34Å |
| 506 | H | 88.3 | Confident | 82.8 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | -179.3 | -174.6 | 65.5 | 0 | 0 | 0 | 112.6 | K502 A508 E509 I510 | K502-H506 WeakPolarHBondContact O-CB 3.49Å; K502-H506 PolarHBondContact O-N 3.31Å; H506-A508 VanDerWaalsContact C-N 3.3Å; H506-A508 PolarHBondContact O-N 3.39Å; H506-E509 PolarHBondContact O-N 3.1Å; H506-I510 VanDerWaalsContact NE2-CD1 3.33Å; H506-I510 WeakPolarHBondContact NE2-CD1 3.47Å; H506-I510 WeakPolarHBondContact O-CG1 3.2Å; H506-I510 PolarHBondContact O-N 3.18Å |
| 507 | N | 84.3 | Confident | 81.4 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -32.9 | 175.3 | -76.2 | -34.4 | 0 | 0 | 0 | 112.7 | S503 I505 K511 | S503-N507 VanDerWaalsContact O-CB 3.28Å; S503-N507 WeakPolarHBondContact O-CB 3.32Å; S503-N507 PolarHBondContact O-N 3.09Å; S503-N507 PolarHBondContact O-ND2 3.35Å; I505-N507 VanDerWaalsContact C-N 3.34Å; I505-N507 PolarHBondContact O-N 3Å; N507-K511 VanDerWaalsContact O-CG 3.27Å; N507-K511 WeakPolarHBondContact O-CG 3.36Å; N507-K511 PolarHBondContact O-N 3.22Å |
| 508 | A | 85 | Confident | 80 | Confident | 12 Ų | 12 | 88.4 Ų | 88.4 | 10% | 0.099 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.5 | -47.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V351 A504 I505 H506 I510 K511 M512 | V351-A508 HydrophobicContact CG2-CB 4.1Å; A504-A508 WeakPolarHBondContact O-CB 3.47Å; A504-A508 PolarHBondContact O-N 3.41Å; I505-A508 WeakPolarHBondContact O-CA 3.46Å; I505-A508 WeakPolarHBondContact O-CB 3.31Å; I505-A508 PolarHBondContact O-N 3.16Å; H506-A508 VanDerWaalsContact C-N 3.3Å; H506-A508 PolarHBondContact O-N 3.39Å; A508-I510 PolarHBondContact O-N 3.2Å; A508-K511 WeakPolarHBondContact O-CB 3.27Å; A508-K511 PolarHBondContact O-N 2.74Å; A508-M512 HydrophobicContact CB-CE 4.36Å; A508-M512 WeakPolarHBondContact O-CG 3.44Å; A508-M512 PolarHBondContact O-N 3.24Å |
| 509 | E | 82.4 | Confident | 78.5 | Confident | 90 Ų | 90 | 82.3 Ų | 82.3 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.5 | -72.5 | 178 | -178.6 | 0 | 0 | 113.4 | I505 H506 K511 M512 K513 | I505-E509 HydrophobicContact CG2-CG 4.43Å; I505-E509 WeakPolarHBondContact O-CG 3.35Å; I505-E509 PolarHBondContact O-N 3.34Å; H506-E509 PolarHBondContact O-N 3.1Å; E509-K511 VanDerWaalsContact C-N 3.32Å; E509-K511 PolarHBondContact O-N 3.22Å; E509-M512 PolarHBondContact O-N 2.87Å; E509-K513 WeakPolarHBondContact O-CG 3.34Å; E509-K513 PolarHBondContact O-N 2.87Å |
| 510 | I | 79.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 80 Ų | 80 | 41% | 0.41 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.7 | -68.7 | 171.1 | 0 | 0 | 0 | 110.2 | H506 A508 M512 K513 T514 | H506-I510 VanDerWaalsContact NE2-CD1 3.33Å; H506-I510 WeakPolarHBondContact NE2-CD1 3.47Å; H506-I510 WeakPolarHBondContact O-CG1 3.2Å; H506-I510 PolarHBondContact O-N 3.18Å; A508-I510 PolarHBondContact O-N 3.2Å; I510-M512 VanDerWaalsContact C-N 3.31Å; I510-M512 PolarHBondContact O-N 3.48Å; I510-K513 PolarHBondContact O-N 3.24Å; I510-T514 HydrophobicContact CG2-CG2 4.27Å; I510-T514 WeakPolarHBondContact O-CB 3.39Å; I510-T514 VanDerWaalsContact O-CG2 3.28Å; I510-T514 WeakPolarHBondContact O-CG2 3.4Å; I510-T514 PolarHBondContact O-N 2.93Å; I510-T514 PolarHBondContact O-OG1 2.86Å |
| 511 | K | 76.5 | Confident | 76.4 | Confident | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 177 | -73.5 | 176 | -176.9 | 177.8 | 0 | 111.9 | N507 A508 E509 T514 A515 | N507-K511 VanDerWaalsContact O-CG 3.27Å; N507-K511 WeakPolarHBondContact O-CG 3.36Å; N507-K511 PolarHBondContact O-N 3.22Å; A508-K511 WeakPolarHBondContact O-CB 3.27Å; A508-K511 PolarHBondContact O-N 2.74Å; E509-K511 VanDerWaalsContact C-N 3.32Å; E509-K511 PolarHBondContact O-N 3.22Å; K511-T514 WeakPolarHBondContact CA-OG1 3.45Å; K511-T514 PolarHBondContact O-OG1 2.96Å; K511-T514 VanDerWaalsContact O-OG1 3.1Å; K511-A515 VanDerWaalsContact O-CB 3.27Å; K511-A515 WeakPolarHBondContact O-CB 3.3Å; K511-A515 PolarHBondContact O-N 2.86Å; K511-A515 VanDerWaalsContact O-N 3.09Å |
| 512 | M | 73.7 | Confident | 75.3 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 21% | 0.207 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 176.1 | -67.3 | 169.1 | 174.2 | 0 | 0 | 111.7 | E344 A347 A508 E509 I510 A515 K516 | E344-M512 HydrophobicContact CG-CG 4.13Å; A347-M512 HydrophobicContact CB-CE 4.04Å; A508-M512 HydrophobicContact CB-CE 4.36Å; A508-M512 WeakPolarHBondContact O-CG 3.44Å; A508-M512 PolarHBondContact O-N 3.24Å; E509-M512 PolarHBondContact O-N 2.87Å; I510-M512 VanDerWaalsContact C-N 3.31Å; I510-M512 PolarHBondContact O-N 3.48Å; M512-A515 PolarHBondContact O-N 2.79Å; M512-K516 PolarHBondContact O-N 3.49Å |
| 513 | K | 72.9 | Confident | 74.2 | Confident | 144 Ų | 144 | 78.8 Ų | 78.8 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | -180 | -72.4 | 176.4 | -179.4 | 173.7 | 0 | 112 | E509 I510 A515 K516 T517 | E509-K513 WeakPolarHBondContact O-CG 3.34Å; E509-K513 PolarHBondContact O-N 2.87Å; I510-K513 PolarHBondContact O-N 3.24Å; K513-A515 PolarHBondContact O-N 3.32Å; K513-K516 PolarHBondContact O-N 3.26Å; K513-T517 PolarHBondContact O-N 2.89Å; K513-T517 PolarHBondContact O-OG1 2.84Å |
| 514 | T | 68 | Low | 73.3 | Confident | 79 Ų | 79 | 79 Ų | 79 | 49% | 0.485 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 178.8 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | I510 K511 V518 | I510-T514 HydrophobicContact CG2-CG2 4.27Å; I510-T514 WeakPolarHBondContact O-CB 3.39Å; I510-T514 VanDerWaalsContact O-CG2 3.28Å; I510-T514 WeakPolarHBondContact O-CG2 3.4Å; I510-T514 PolarHBondContact O-N 2.93Å; I510-T514 PolarHBondContact O-OG1 2.86Å; K511-T514 WeakPolarHBondContact CA-OG1 3.45Å; K511-T514 PolarHBondContact O-OG1 2.96Å; K511-T514 VanDerWaalsContact O-OG1 3.1Å; T514-V518 VanDerWaalsContact O-CG2 3.27Å; T514-V518 WeakPolarHBondContact O-CG2 3.5Å; T514-V518 PolarHBondContact O-N 2.83Å |
| 515 | A | 67.5 | Low | 72.7 | Confident | 35 Ų | 35 | 81 Ų | 81 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K511 M512 K513 | K511-A515 VanDerWaalsContact O-CB 3.27Å; K511-A515 WeakPolarHBondContact O-CB 3.3Å; K511-A515 PolarHBondContact O-N 2.86Å; K511-A515 VanDerWaalsContact O-N 3.09Å; M512-A515 PolarHBondContact O-N 2.79Å; K513-A515 PolarHBondContact O-N 3.32Å |
| 516 | K | 66.7 | Low | 72.1 | Confident | 94 Ų | 94 | 84 Ų | 84 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 177.8 | -76.1 | -178.4 | 177.7 | 164.9 | 0 | 112.7 | I340 E344 M512 K513 Q520 | I340-K516 HydrophobicContact CG2-CG 3.99Å; E344-K516 WeakPolarHBondContact OE1-CE 3.05Å; E344-K516 IonicContact OE1-NZ 2.66Å; E344-K516 PolarHBondContact OE1-NZ 3.31Å; E344-K516 IonicContact OE2-NZ 2.91Å; M512-K516 PolarHBondContact O-N 3.49Å; K513-K516 PolarHBondContact O-N 3.26Å; K516-Q520 WeakPolarHBondContact O-CG 3.29Å |
| 517 | T | 59.9 | Low | 71.7 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.3 | -36.3 | -175.6 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | K513 A519 | K513-T517 PolarHBondContact O-N 2.89Å; K513-T517 PolarHBondContact O-OG1 2.84Å; T517-A519 VanDerWaalsContact C-N 3.32Å; T517-A519 PolarHBondContact O-N 2.95Å |
| 518 | V | 58.6 | Low | 71.8 | Confident | 111 Ų | 111 | 80.3 Ų | 80.3 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -76.3 | -20.5 | -171.8 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | T514 | T514-V518 VanDerWaalsContact O-CG2 3.27Å; T514-V518 WeakPolarHBondContact O-CG2 3.5Å; T514-V518 PolarHBondContact O-N 2.83Å |
| 519 | A | 59 | Low | 71.9 | Confident | 23 Ų | 23 | 82 Ų | 82 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -113.1 | 1.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T336 I340 T517 I521 | T336-A519 HydrophobicContact CG2-CB 3.32Å; T336-A519 WeakPolarHBondContact CG2-O 3.36Å; I340-A519 HydrophobicContact CD1-CB 4.2Å; T517-A519 VanDerWaalsContact C-N 3.32Å; T517-A519 PolarHBondContact O-N 2.95Å; A519-I521 PolarHBondContact O-N 3.24Å |
| 520 | Q | 65 | Low | 72.2 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | trans | -80.4 | 119.1 | -179.8 | -76.6 | -179.3 | -24.5 | 0 | 0 | 111.6 | K516 T522 | K516-Q520 WeakPolarHBondContact O-CG 3.29Å; Q520-T522 HydrophobicContact CB-CG2 4.5Å | ||
| 521 | I | 69.7 | Low | 72.7 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | trans | -73.6 | 122.9 | 166.7 | -58.3 | 171.8 | 0 | 0 | 0 | 107.1 | F65 W67 E332 A519 | F65-I521 HydrophobicContact CB-CG2 3.84Å; F65-I521 HydrophobicContact CD1-CG2 4.15Å; F65-I521 HydrophobicContact CG-CG2 4.26Å; W67-I521 HydrophobicContact CD2-CD1 4.47Å; W67-I521 HydrophobicContact CE3-CD1 4Å; W67-I521 HydrophobicContact CH2-CD1 4.03Å; W67-I521 HydrophobicContact CZ3-CD1 3.77Å; E332-I521 HydrophobicContact CB-CD1 3.56Å; A519-I521 PolarHBondContact O-N 3.24Å | ||
| 522 | T | 67.9 | Low | 73.2 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.5 | 180 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | D66 Q520 V524 | D66-T522 PolarHBondContact N-O 2.92Å; Q520-T522 HydrophobicContact CB-CG2 4.5Å; T522-V524 PolarHBondContact O-N 3.05Å |
| 523 | E | 67.8 | Low | 74.1 | Confident | 141 Ų | 141 | 70.3 Ų | 70.3 | 66% | 0.659 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 128.6 | 175.7 | -165.7 | 178.5 | 167.2 | 0 | 0 | 109.4 | F65 R525 | F65-E523 VanDerWaalsContact CD1-CA 3.49Å; F65-E523 HydrophobicContact CD1-CB 3.85Å; F65-E523 HydrophobicContact CD1-CG 4.26Å; F65-E523 HydrophobicContact CE1-CB 3.72Å; F65-E523 HydrophobicContact CE1-CG 4Å; F65-E523 HydrophobicContact CZ-CG 4.34Å; E523-R525 PolarHBondContact O-N 2.9Å |
| 524 | V | 69.5 | Low | 75.1 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | trans | -77.1 | 112.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | D64 D66 T522 K526 | D64-V524 VanDerWaalsContact O-CB 3.26Å; D64-V524 WeakPolarHBondContact O-CB 3.44Å; D64-V524 PolarHBondContact O-N 3.44Å; D66-V524 HydrophobicContact CB-CG2 3.53Å; T522-V524 PolarHBondContact O-N 3.05Å; V524-K526 PolarHBondContact O-N 2.83Å | ||
| 525 | R | 76.3 | Confident | 76.3 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | trans | -55.8 | 128.8 | 164.6 | 173.3 | -171.5 | 161.2 | -177.5 | -2.5 | 109.4 | E523 P527 E531 Y945 A946 I947 | E523-R525 PolarHBondContact O-N 2.9Å; R525-P527 WeakPolarHBondContact O-CD 3.45Å; R525-E531 IonicContact CZ-OE1 2.74Å; R525-E531 IonicContact CZ-OE2 3.82Å; R525-E531 IonicContact NE-OE1 3.02Å; R525-E531 IonicContact NH1-OE2 2.75Å; R525-E531 IonicContact NH2-OE1 2.77Å; R525-E531 PolarHBondContact NH2-OE1 2.83Å; R525-E531 IonicContact NH2-OE2 2.7Å; R525-E531 PolarHBondContact NH2-OE2 2.8Å; R525-Y945 VanDerWaalsContact CD-CD2 3.45Å; R525-Y945 VanDerWaalsContact CD-CE2 3.47Å; R525-Y945 HydrophobicContact CG-CD1 4.03Å; R525-Y945 HydrophobicContact CG-CD2 4.4Å; R525-Y945 HydrophobicContact CG-CE1 3.81Å; R525-Y945 HydrophobicContact CG-CE2 4.2Å; R525-Y945 HydrophobicContact CG-CG 4.3Å; R525-Y945 VanDerWaalsContact CZ-CD2 3.44Å; R525-Y945 VanDerWaalsContact NH1-CD2 3.29Å; R525-A946 PolarHBondContact NH1-O 2.78Å; R525-A946 VanDerWaalsContact NH1-O 3.12Å; R525-I947 VanDerWaalsContact NH2-CD1 3.3Å | ||
| 526 | K | 75 | Confident | 77.6 | Confident | 127 Ų | 127 | 59 Ų | 59 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | trans | -72.9 | 107.9 | 167.5 | -67.2 | 174 | -176.9 | 164.3 | 0 | 108.1 | D64 V524 | D64-K526 IonicContact OD1-NZ 3.59Å; D64-K526 IonicContact OD2-NZ 3.47Å; D64-K526 PolarHBondContact OD2-NZ 3.14Å; V524-K526 PolarHBondContact O-N 2.83Å | ||
| 527 | P | 81.4 | Confident | 78.9 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 62% | 0.623 | 28% | 0.284 | S | S | * | . | trans | -67 | 139.6 | 178.2 | 29.7 | -33.8 | 0 | 0 | 0 | 109.1 | R525 | R525-P527 WeakPolarHBondContact O-CD 3.45Š| ||
| 528 | M | 85.9 | Confident | 80.5 | Confident | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | trans | -67.6 | 147.6 | 175.2 | -54.9 | 178.8 | -171.5 | 0 | 0 | 109.1 | F530 E531 K680 L929 L933 Y945 | M528-F530 HydrophobicContact CB-CD1 4.13Å; M528-F530 HydrophobicContact CB-CD2 4.45Å; M528-F530 HydrophobicContact CB-CE1 3.69Å; M528-F530 HydrophobicContact CB-CE2 4.02Å; M528-F530 HydrophobicContact CB-CZ 3.64Å; M528-F530 HydrophobicContact CG-CE1 4.38Å; M528-F530 HydrophobicContact CG-CZ 4.11Å; M528-F530 PolarHBondContact O-N 3.07Å; M528-F530 HydrophobicContact SD-CE1 3.91Å; M528-F530 HydrophobicContact SD-CE2 4.15Å; M528-F530 HydrophobicContact SD-CZ 3.33Å; M528-F530 WeakPolarHBondContact SD-CZ 3.47Å; M528-E531 HydrophobicContact CB-CG 4.15Å; M528-E531 WeakPolarHBondContact CB-OE1 3.47Å; M528-E531 WeakPolarHBondContact CG-OE1 3.21Å; M528-E531 PolarHBondContact N-OE1 3.11Å; M528-E531 WeakPolarHBondContact O-CB 3.34Å; M528-E531 PolarHBondContact O-N 2.96Å; M528-K680 HydrophobicContact CE-CD 4.4Å; M528-L929 HydrophobicContact CE-CD1 3.63Å; M528-L929 HydrophobicContact CE-CG 4.23Å; M528-L929 HydrophobicContact CG-CD2 4.36Å; M528-L929 HydrophobicContact SD-CD1 3.91Å; M528-L929 HydrophobicContact SD-CD2 3.88Å; M528-L929 HydrophobicContact SD-CG 3.93Å; M528-L933 HydrophobicContact CE-CD1 3.91Å; M528-L933 HydrophobicContact CE-CD2 3.84Å; M528-L933 HydrophobicContact CE-CG 4.21Å; M528-L933 HydrophobicContact SD-CD1 3.92Å; M528-Y945 WeakPolarHBondContact CE-OH 3.24Å | ||
| 529 | W | 86.6 | Confident | 82 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -59 | -29.1 | -170.1 | 69.4 | -101.4 | 0 | 0 | 0 | 113.5 | K532 F533 L543 V545 Y560 E921 | W529-K532 WeakPolarHBondContact O-CD 3.16Å; W529-K532 VanDerWaalsContact O-CE 3.31Å; W529-K532 WeakPolarHBondContact O-CE 3.38Å; W529-K532 VanDerWaalsContact O-CG 3.27Å; W529-K532 WeakPolarHBondContact O-CG 3.4Å; W529-F533 HydrophobicContact CE3-CD2 4.43Å; W529-F533 HydrophobicContact CE3-CE2 4.13Å; W529-F533 HydrophobicContact CZ3-CD2 4.22Å; W529-F533 AromaticContact CZ3-CE2 4Å; W529-F533 HydrophobicContact CZ3-CE2 4Å; W529-L543 HydrophobicContact CZ2-CD2 4.12Å; W529-V545 HydrophobicContact CH2-CG2 4.34Å; W529-Y560 HydrophobicContact CD2-CD1 4.17Å; W529-Y560 AromaticContact CD2-CE1 3.7Å; W529-Y560 HydrophobicContact CD2-CE1 3.7Å; W529-Y560 AromaticContact CE3-CD1 3.64Å; W529-Y560 HydrophobicContact CE3-CD1 3.64Å; W529-Y560 AromaticContact CE3-CE1 3.26Å; W529-Y560 HydrophobicContact CE3-CE1 3.26Å; W529-Y560 HydrophobicContact CE3-CE2 4.22Å; W529-Y560 HydrophobicContact CE3-CG 4.26Å; W529-Y560 AromaticContact CE3-CZ 3.58Å; W529-Y560 HydrophobicContact CG-CE1 4.38Å; W529-Y560 AromaticContact CH2-CD1 3.66Å; W529-Y560 HydrophobicContact CH2-CD1 3.66Å; W529-Y560 HydrophobicContact CH2-CE1 4.17Å; W529-Y560 HydrophobicContact CH2-CG 4.05Å; W529-Y560 HydrophobicContact CZ2-CD1 4.16Å; W529-Y560 AromaticContact CZ3-CD1 3.36Å; W529-Y560 HydrophobicContact CZ3-CD1 3.36Å; W529-Y560 HydrophobicContact CZ3-CD2 4.09Å; W529-Y560 AromaticContact CZ3-CE1 3.54Å; W529-Y560 HydrophobicContact CZ3-CE1 3.54Å; W529-Y560 HydrophobicContact CZ3-CE2 4.22Å; W529-Y560 AromaticContact CZ3-CG 3.66Å; W529-Y560 HydrophobicContact CZ3-CG 3.66Å; W529-Y560 AromaticContact CZ3-CZ 3.96Å; W529-E921 PolarHBondContact NE1-OE2 3.3Å |
| 530 | F | 89.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -79 | -16.1 | -179 | 54.4 | -105.4 | 0 | 0 | 0 | 113.3 | M528 K532 F533 W535 L543 V545 L929 | M528-F530 HydrophobicContact CB-CD1 4.13Å; M528-F530 HydrophobicContact CB-CD2 4.45Å; M528-F530 HydrophobicContact CB-CE1 3.69Å; M528-F530 HydrophobicContact CB-CE2 4.02Å; M528-F530 HydrophobicContact CB-CZ 3.64Å; M528-F530 HydrophobicContact CG-CE1 4.38Å; M528-F530 HydrophobicContact CG-CZ 4.11Å; M528-F530 PolarHBondContact O-N 3.07Å; M528-F530 HydrophobicContact SD-CE1 3.91Å; M528-F530 HydrophobicContact SD-CE2 4.15Å; M528-F530 HydrophobicContact SD-CZ 3.33Å; M528-F530 WeakPolarHBondContact SD-CZ 3.47Å; F530-K532 PolarHBondContact O-N 2.99Å; F530-K532 VanDerWaalsContact O-N 3.15Å; F530-F533 WeakPolarHBondContact O-CB 3.29Å; F530-F533 PolarHBondContact O-N 3.27Å; F530-F533 VanDerWaalsContact O-N 3.07Å; F530-W535 HydrophobicContact CD2-CB 4.23Å; F530-W535 AromaticContact CD2-CD2 3.48Å; F530-W535 HydrophobicContact CD2-CD2 3.48Å; F530-W535 VanDerWaalsContact CD2-CD2 3.48Å; F530-W535 AromaticContact CD2-CE2 3.84Å; F530-W535 AromaticContact CD2-CE3 3.76Å; F530-W535 HydrophobicContact CD2-CE3 3.76Å; F530-W535 AromaticContact CD2-CG 3.65Å; F530-W535 HydrophobicContact CD2-CG 3.65Å; F530-W535 HydrophobicContact CD2-CZ2 4.4Å; F530-W535 HydrophobicContact CD2-CZ3 4.3Å; F530-W535 AromaticContact CE2-CD2 3.59Å; F530-W535 HydrophobicContact CE2-CD2 3.59Å; F530-W535 AromaticContact CE2-CE2 3.76Å; F530-W535 AromaticContact CE2-CE3 3.5Å; F530-W535 HydrophobicContact CE2-CE3 3.5Å; F530-W535 HydrophobicContact CE2-CG 4.27Å; F530-W535 AromaticContact CE2-CH2 3.76Å; F530-W535 HydrophobicContact CE2-CH2 3.76Å; F530-W535 AromaticContact CE2-CZ2 3.87Å; F530-W535 HydrophobicContact CE2-CZ2 3.87Å; F530-W535 AromaticContact CE2-CZ3 3.58Å; F530-W535 HydrophobicContact CE2-CZ3 3.58Å; F530-W535 HydrophobicContact CZ-CE3 4.49Å; F530-W535 HydrophobicContact CZ-CZ3 4.34Å; F530-L543 HydrophobicContact CB-CD2 4.21Å; F530-L543 HydrophobicContact CD1-CD1 4.25Å; F530-L543 HydrophobicContact CD1-CD2 3.54Å; F530-L543 HydrophobicContact CD2-CD1 4.15Å; F530-L543 HydrophobicContact CE1-CD1 4.44Å; F530-L543 HydrophobicContact CE1-CD2 4.03Å; F530-L543 HydrophobicContact CE2-CD1 4.36Å; F530-L543 HydrophobicContact CG-CD1 4.08Å; F530-L543 HydrophobicContact CG-CD2 3.94Å; F530-L543 HydrophobicContact CZ-CD1 4.47Å; F530-V545 HydrophobicContact CB-CG2 4.1Å; F530-L929 HydrophobicContact CE1-CD2 4.25Å |
| 531 | E | 89.2 | Confident | 84.5 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -68.9 | -12.7 | -179.2 | -66.1 | -176.7 | -120.9 | 0 | 0 | 114 | R525 M528 W535 | R525-E531 IonicContact CZ-OE1 2.74Å; R525-E531 IonicContact CZ-OE2 3.82Å; R525-E531 IonicContact NE-OE1 3.02Å; R525-E531 IonicContact NH1-OE2 2.75Å; R525-E531 IonicContact NH2-OE1 2.77Å; R525-E531 PolarHBondContact NH2-OE1 2.83Å; R525-E531 IonicContact NH2-OE2 2.7Å; R525-E531 PolarHBondContact NH2-OE2 2.8Å; M528-E531 HydrophobicContact CB-CG 4.15Å; M528-E531 WeakPolarHBondContact CB-OE1 3.47Å; M528-E531 WeakPolarHBondContact CG-OE1 3.21Å; M528-E531 PolarHBondContact N-OE1 3.11Å; M528-E531 WeakPolarHBondContact O-CB 3.34Å; M528-E531 PolarHBondContact O-N 2.96Å; E531-W535 HydrophobicContact CG-CZ2 4.09Å |
| 532 | K | 87.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -76.9 | -13.4 | 173.4 | 73.8 | -166.9 | 174.7 | -178.2 | 0 | 113.6 | D47 W529 F530 H548 Q552 Y560 | D47-K532 IonicContact OD2-NZ 3.62Å; W529-K532 WeakPolarHBondContact O-CD 3.16Å; W529-K532 VanDerWaalsContact O-CE 3.31Å; W529-K532 WeakPolarHBondContact O-CE 3.38Å; W529-K532 VanDerWaalsContact O-CG 3.27Å; W529-K532 WeakPolarHBondContact O-CG 3.4Å; F530-K532 PolarHBondContact O-N 2.99Å; F530-K532 VanDerWaalsContact O-N 3.15Å; K532-H548 PolarHBondContact O-CD2 3.06Å; K532-H548 VanDerWaalsContact O-CD2 3.25Å; K532-Q552 PolarHBondContact O-NE2 2.79Å; K532-Y560 PolarHBondContact NZ-OH 3.48Å |
| 533 | F | 92.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -109 | 172 | 178.6 | -59.6 | -66.7 | 0 | 0 | 0 | 109.2 | W529 F530 V545 A546 Q552 V555 L556 Y560 | W529-F533 HydrophobicContact CE3-CD2 4.43Å; W529-F533 HydrophobicContact CE3-CE2 4.13Å; W529-F533 HydrophobicContact CZ3-CD2 4.22Å; W529-F533 AromaticContact CZ3-CE2 4Å; W529-F533 HydrophobicContact CZ3-CE2 4Å; F530-F533 WeakPolarHBondContact O-CB 3.29Å; F530-F533 PolarHBondContact O-N 3.27Å; F530-F533 VanDerWaalsContact O-N 3.07Å; F533-V545 HydrophobicContact CB-CG1 3.41Å; F533-V545 VanDerWaalsContact CB-CG1 3.41Å; F533-V545 HydrophobicContact CD2-CG1 3.68Å; F533-V545 HydrophobicContact CG-CG1 3.77Å; F533-A546 WeakPolarHBondContact CB-O 3.47Å; F533-Q552 HydrophobicContact CD1-CB 4.11Å; F533-Q552 HydrophobicContact CD1-CG 4.35Å; F533-Q552 HydrophobicContact CE1-CB 3.86Å; F533-Q552 HydrophobicContact CE1-CG 4.11Å; F533-V555 HydrophobicContact CZ-CG1 4.38Å; F533-L556 HydrophobicContact CD1-CD1 4.09Å; F533-L556 HydrophobicContact CD2-CD1 3.81Å; F533-L556 HydrophobicContact CE1-CD1 3.98Å; F533-L556 HydrophobicContact CE2-CD1 3.68Å; F533-L556 HydrophobicContact CG-CD1 4Å; F533-L556 HydrophobicContact CZ-CD1 3.77Å; F533-Y560 HydrophobicContact CE2-CD2 4.21Å; F533-Y560 AromaticContact CE2-CE2 3.85Å; F533-Y560 HydrophobicContact CE2-CE2 3.85Å; F533-Y560 HydrophobicContact CZ-CD2 4.29Å; F533-Y560 AromaticContact CZ-CE2 3.94Å; F533-Y560 HydrophobicContact CZ-CE2 3.94Å |
| 534 | F | 93.5 | Very high | 88 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135 | 160.3 | -67.9 | -67.9 | 0 | 0 | 0 | 108.5 | V545 A546 H548 M618 L622 R1007 N1008 | F534-V545 CarbonylContact O-C 3.56Å; F534-V545 WeakPolarHBondContact O-CA 3.4Å; F534-A546 HydrophobicContact CB-CB 4.27Å; F534-A546 PolarHBondContact N-O 2.94Å; F534-A546 PolarHBondContact O-N 2.8Å; F534-H548 AromaticContact CD1-CE1 3.36Å; F534-H548 WeakPolarHBondContact CD1-CE1 3.34Å; F534-H548 AromaticContact CD1-ND1 3.74Å; F534-H548 AromaticContact CD2-CE1 3.64Å; F534-H548 AromaticContact CD2-CG 3.94Å; F534-H548 AromaticContact CD2-ND1 3.25Å; F534-H548 WeakPolarHBondContact CD2-ND1 3.44Å; F534-H548 AromaticContact CE1-CE1 3.31Å; F534-H548 WeakPolarHBondContact CE1-CE1 3.36Å; F534-H548 AromaticContact CE1-ND1 3.43Å; F534-H548 WeakPolarHBondContact CE1-ND1 3.16Å; F534-H548 HydrophobicContact CE2-CB 4.27Å; F534-H548 AromaticContact CE2-CE1 3.63Å; F534-H548 AromaticContact CE2-CG 3.82Å; F534-H548 AromaticContact CE2-ND1 2.93Å; F534-H548 WeakPolarHBondContact CE2-ND1 3.35Å; F534-H548 AromaticContact CG-CE1 3.53Å; F534-H548 AromaticContact CG-ND1 3.66Å; F534-H548 AromaticContact CZ-CE1 3.47Å; F534-H548 VanDerWaalsContact CZ-CE1 3.47Å; F534-H548 WeakPolarHBondContact CZ-CE1 3.45Å; F534-H548 AromaticContact CZ-ND1 3.03Å; F534-H548 WeakPolarHBondContact CZ-ND1 3.42Å; F534-M618 HydrophobicContact CB-CE 3.37Å; F534-M618 WeakPolarHBondContact O-CE 3.18Å; F534-L622 HydrophobicContact CB-CD1 3.8Å; F534-L622 HydrophobicContact CD1-CD2 4.35Å; F534-L622 HydrophobicContact CD2-CD1 3.51Å; F534-L622 HydrophobicContact CD2-CD2 3.8Å; F534-L622 HydrophobicContact CD2-CG 4.29Å; F534-L622 HydrophobicContact CE1-CD2 4.18Å; F534-L622 HydrophobicContact CE2-CD1 4.14Å; F534-L622 HydrophobicContact CE2-CD2 3.58Å; F534-L622 HydrophobicContact CE2-CG 4.46Å; F534-L622 HydrophobicContact CG-CD1 3.76Å; F534-L622 HydrophobicContact CG-CD2 4.16Å; F534-L622 HydrophobicContact CZ-CD2 3.79Å; F534-R1007 VanDerWaalsContact CE1-O 3.31Å; F534-R1007 WeakPolarHBondContact CE1-O 3.46Å; F534-N1008 WeakPolarHBondContact CE1-O 3.35Å |
| 535 | W | 94.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.4 | 179.3 | 67.8 | -81.1 | 0 | 0 | 0 | 111 | F530 E531 I537 L543 V544 V545 M678 I947 V949 | F530-W535 HydrophobicContact CD2-CB 4.23Å; F530-W535 AromaticContact CD2-CD2 3.48Å; F530-W535 HydrophobicContact CD2-CD2 3.48Å; F530-W535 VanDerWaalsContact CD2-CD2 3.48Å; F530-W535 AromaticContact CD2-CE2 3.84Å; F530-W535 AromaticContact CD2-CE3 3.76Å; F530-W535 HydrophobicContact CD2-CE3 3.76Å; F530-W535 AromaticContact CD2-CG 3.65Å; F530-W535 HydrophobicContact CD2-CG 3.65Å; F530-W535 HydrophobicContact CD2-CZ2 4.4Å; F530-W535 HydrophobicContact CD2-CZ3 4.3Å; F530-W535 AromaticContact CE2-CD2 3.59Å; F530-W535 HydrophobicContact CE2-CD2 3.59Å; F530-W535 AromaticContact CE2-CE2 3.76Å; F530-W535 AromaticContact CE2-CE3 3.5Å; F530-W535 HydrophobicContact CE2-CE3 3.5Å; F530-W535 HydrophobicContact CE2-CG 4.27Å; F530-W535 AromaticContact CE2-CH2 3.76Å; F530-W535 HydrophobicContact CE2-CH2 3.76Å; F530-W535 AromaticContact CE2-CZ2 3.87Å; F530-W535 HydrophobicContact CE2-CZ2 3.87Å; F530-W535 AromaticContact CE2-CZ3 3.58Å; F530-W535 HydrophobicContact CE2-CZ3 3.58Å; F530-W535 HydrophobicContact CZ-CE3 4.49Å; F530-W535 HydrophobicContact CZ-CZ3 4.34Å; E531-W535 HydrophobicContact CG-CZ2 4.09Å; W535-I537 HydrophobicContact CE3-CG1 4.39Å; W535-I537 HydrophobicContact CZ3-CD1 4.26Å; W535-I537 HydrophobicContact CZ3-CG1 3.93Å; W535-L543 HydrophobicContact CB-CD1 4.48Å; W535-L543 HydrophobicContact CE3-CD1 4.05Å; W535-V544 CarbonylContact C-O 3.5Å; W535-V544 WeakPolarHBondContact CA-O 3.27Å; W535-V544 WeakPolarHBondContact CB-O 3.46Å; W535-V545 HydrophobicContact CB-CG2 4.39Å; W535-M678 HydrophobicContact CH2-CE 3.37Å; W535-M678 HydrophobicContact CZ3-CE 3.65Å; W535-I947 HydrophobicContact CH2-CG2 4.27Å; W535-I947 HydrophobicContact CZ2-CG2 3.71Å; W535-V949 HydrophobicContact CH2-CG2 3.81Å; W535-V949 HydrophobicContact CZ2-CG2 4Å; W535-V949 HydrophobicContact CZ3-CG2 4.38Å |
| 536 | F | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 164.8 | 163.4 | 70.2 | -84.3 | 0 | 0 | 0 | 109.9 | V544 E614 M618 V949 A951 P952 V955 | F536-V544 HydrophobicContact CD1-CB 3.99Å; F536-V544 HydrophobicContact CD1-CG1 4.29Å; F536-V544 HydrophobicContact CE1-CB 3.56Å; F536-V544 HydrophobicContact CE1-CG1 3.56Å; F536-V544 HydrophobicContact CE1-CG2 4.11Å; F536-V544 HydrophobicContact CE2-CB 4.27Å; F536-V544 HydrophobicContact CE2-CG2 4.03Å; F536-V544 HydrophobicContact CG-CB 4.5Å; F536-V544 HydrophobicContact CZ-CB 3.72Å; F536-V544 HydrophobicContact CZ-CG1 3.91Å; F536-V544 HydrophobicContact CZ-CG2 3.7Å; F536-V544 PolarHBondContact N-O 3.1Å; F536-V544 PolarHBondContact O-N 3.07Å; F536-E614 HydrophobicContact CE2-CB 4.04Å; F536-E614 HydrophobicContact CZ-CB 3.98Å; F536-M618 HydrophobicContact CD1-CE 4.28Å; F536-M618 HydrophobicContact CD1-CG 4.43Å; F536-M618 HydrophobicContact CD1-SD 3.63Å; F536-M618 HydrophobicContact CE1-CB 3.83Å; F536-M618 HydrophobicContact CE1-CG 4.08Å; F536-M618 HydrophobicContact CE1-SD 3.45Å; F536-M618 WeakPolarHBondContact CE1-SD 3.44Å; F536-V949 HydrophobicContact CB-CG1 4.03Å; F536-A951 HydrophobicContact CB-CB 3.47Å; F536-A951 VanDerWaalsContact CB-CB 3.47Å; F536-A951 HydrophobicContact CD1-CB 4.44Å; F536-A951 HydrophobicContact CD2-CB 4.01Å; F536-A951 HydrophobicContact CG-CB 3.74Å; F536-P952 HydrophobicContact CE1-CG 4.36Å; F536-P952 HydrophobicContact CE2-CG 4.43Å; F536-P952 HydrophobicContact CZ-CG 4.08Å; F536-V955 HydrophobicContact CD2-CG1 4.43Å; F536-V955 HydrophobicContact CD2-CG2 4.06Å; F536-V955 HydrophobicContact CE2-CG2 3.94Å |
| 537 | I | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.3 | 169.5 | -53.4 | 175.6 | 0 | 0 | 0 | 106.6 | W535 Y542 M678 L930 L933 V955 | W535-I537 HydrophobicContact CE3-CG1 4.39Å; W535-I537 HydrophobicContact CZ3-CD1 4.26Å; W535-I537 HydrophobicContact CZ3-CG1 3.93Å; I537-Y542 CarbonylContact C-O 3.48Å; I537-Y542 WeakPolarHBondContact CA-O 3.47Å; I537-M678 HydrophobicContact CD1-CE 3.74Å; I537-M678 HydrophobicContact CD1-SD 3.91Å; I537-M678 HydrophobicContact CG1-CE 4.48Å; I537-L930 HydrophobicContact CD1-CB 4.42Å; I537-L930 HydrophobicContact CD1-CD2 3.7Å; I537-L930 HydrophobicContact CG1-CD2 4Å; I537-L933 HydrophobicContact CD1-CB 4.42Å; I537-L933 HydrophobicContact CD1-CD1 4.19Å; I537-V955 WeakPolarHBondContact O-CG1 3.26Å |
| 538 | S | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -59.1 | 164.6 | 178.8 | 83.3 | 0 | 0 | 0 | 0 | 111.3 | E540 N541 Y542 T611 E614 | S538-E540 PolarHBondContact O-N 2.99Å; S538-E540 PolarHBondContact OG-N 2.69Å; S538-N541 PolarHBondContact O-N 3.33Å; S538-N541 VanDerWaalsContact O-N 3.14Å; S538-Y542 PolarHBondContact N-O 3.25Å; S538-Y542 WeakPolarHBondContact OG-CB 3.17Å; S538-Y542 PolarHBondContact OG-N 2.94Å; S538-Y542 VanDerWaalsContact OG-N 3.1Å; S538-T611 PolarHBondContact OG-OG1 3.43Å; S538-E614 WeakPolarHBondContact CA-OE2 3.49Å; S538-E614 WeakPolarHBondContact CB-OE2 3.18Å | ||
| 539 | S | 90 | Very high | 91.5 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.7 | 177.1 | 57 | 0 | 0 | 0 | 0 | 113.9 | K610 E614 | S539-K610 WeakPolarHBondContact OG-CE 3.24Å; S539-K610 PolarHBondContact OG-NZ 2.95Å; S539-E614 WeakPolarHBondContact CB-OE1 3.39Å; S539-E614 PolarHBondContact N-OE2 3.31Å; S539-E614 PolarHBondContact OG-OE1 3.41Å; S539-E614 PolarHBondContact OG-OE2 3.15Å |
| 540 | E | 87.1 | Confident | 91.6 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 24.4 | -176.6 | -58.9 | 170 | 149.8 | 0 | 0 | 112.5 | S538 Y542 R583 P608 T611 R693 I695 | S538-E540 PolarHBondContact O-N 2.99Å; S538-E540 PolarHBondContact OG-N 2.69Å; E540-Y542 HydrophobicContact CB-CD2 4.27Å; E540-Y542 VanDerWaalsContact O-CD2 3.3Å; E540-Y542 WeakPolarHBondContact O-CD2 3.33Å; E540-Y542 PolarHBondContact O-N 3.08Å; E540-R583 PolarHBondContact O-NE 2.73Å; E540-R583 PolarHBondContact O-NH2 3.37Å; E540-P608 VanDerWaalsContact OE2-CB 3.29Å; E540-P608 WeakPolarHBondContact OE2-CB 3.12Å; E540-P608 VanDerWaalsContact OE2-CG 3.32Å; E540-P608 WeakPolarHBondContact OE2-CG 3.33Å; E540-T611 WeakPolarHBondContact OE2-CB 3.32Å; E540-T611 PolarHBondContact OE2-N 3.35Å; E540-T611 PolarHBondContact OE2-OG1 3.42Å; E540-R693 CarbonylContact C-O 3.55Å; E540-R693 VanDerWaalsContact C-O 3.29Å; E540-R693 WeakPolarHBondContact CA-O 3.48Å; E540-I695 HydrophobicContact CB-CG1 3.95Å; E540-I695 HydrophobicContact CG-CG1 4.27Å |
| 541 | N | 88.7 | Confident | 91.7 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 67 | 27 | 173.2 | -149.6 | 38.9 | 0 | 0 | 0 | 115.9 | S538 R583 R693 N931 | S538-N541 PolarHBondContact O-N 3.33Å; S538-N541 VanDerWaalsContact O-N 3.14Å; N541-R583 WeakPolarHBondContact O-CD 3.37Å; N541-R693 HydrophobicContact CB-CB 3.86Å; N541-R693 PolarHBondContact OD1-NE 3.47Å; N541-R693 PolarHBondContact OD1-NH2 3.05Å; N541-N931 PolarHBondContact ND2-OD1 3.38Å |
| 542 | Y | 91.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | trans | -93.2 | 136.7 | 170.4 | -73 | -100.9 | 0 | 0 | 0 | 110.8 | I537 S538 E540 I580 K581 R583 P607 T611 | I537-Y542 CarbonylContact C-O 3.48Å; I537-Y542 WeakPolarHBondContact CA-O 3.47Å; S538-Y542 PolarHBondContact N-O 3.25Å; S538-Y542 WeakPolarHBondContact OG-CB 3.17Å; S538-Y542 PolarHBondContact OG-N 2.94Å; S538-Y542 VanDerWaalsContact OG-N 3.1Å; E540-Y542 HydrophobicContact CB-CD2 4.27Å; E540-Y542 VanDerWaalsContact O-CD2 3.3Å; E540-Y542 WeakPolarHBondContact O-CD2 3.33Å; E540-Y542 PolarHBondContact O-N 3.08Å; Y542-I580 HydrophobicContact CD1-CG2 4.01Å; Y542-I580 HydrophobicContact CG-CG2 4.4Å; Y542-K581 WeakPolarHBondContact CD1-O 3.39Å; Y542-R583 HydrophobicContact CD1-CG 4.12Å; Y542-R583 HydrophobicContact CE1-CG 3.7Å; Y542-R583 HydrophobicContact CE2-CG 4.38Å; Y542-P607 HydrophobicContact CD1-CB 4.26Å; Y542-P607 HydrophobicContact CD1-CG 4.14Å; Y542-P607 HydrophobicContact CE1-CB 4Å; Y542-P607 HydrophobicContact CE1-CG 3.82Å; Y542-T611 HydrophobicContact CD2-CG2 4.13Å; Y542-T611 HydrophobicContact CG-CG2 3.98Å | ||
| 543 | L | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.5 | 172.4 | 178.1 | 65.1 | 0 | 0 | 0 | 109.6 | W529 F530 W535 V545 K581 L926 L930 | W529-L543 HydrophobicContact CZ2-CD2 4.12Å; F530-L543 HydrophobicContact CB-CD2 4.21Å; F530-L543 HydrophobicContact CD1-CD1 4.25Å; F530-L543 HydrophobicContact CD1-CD2 3.54Å; F530-L543 HydrophobicContact CD2-CD1 4.15Å; F530-L543 HydrophobicContact CE1-CD1 4.44Å; F530-L543 HydrophobicContact CE1-CD2 4.03Å; F530-L543 HydrophobicContact CE2-CD1 4.36Å; F530-L543 HydrophobicContact CG-CD1 4.08Å; F530-L543 HydrophobicContact CG-CD2 3.94Å; F530-L543 HydrophobicContact CZ-CD1 4.47Å; W535-L543 HydrophobicContact CB-CD1 4.48Å; W535-L543 HydrophobicContact CE3-CD1 4.05Å; L543-V545 HydrophobicContact CD1-CG2 4.14Å; L543-V545 HydrophobicContact CD2-CG2 4.08Å; L543-V545 HydrophobicContact CG-CG2 3.76Å; L543-K581 HydrophobicContact CB-CB 4.28Å; L543-K581 HydrophobicContact CB-CG 4.35Å; L543-K581 HydrophobicContact CD2-CG 4.22Å; L543-K581 HydrophobicContact CG-CG 4.38Å; L543-K581 PolarHBondContact O-N 3.25Å; L543-L926 HydrophobicContact CD2-CD1 4.07Å; L543-L926 HydrophobicContact CD2-CD2 4.43Å; L543-L930 HydrophobicContact CB-CD1 4.14Å; L543-L930 HydrophobicContact CB-CD2 4.42Å; L543-L930 HydrophobicContact CD1-CD2 4.43Å |
| 544 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.8 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | W535 F536 V578 I579 I580 A615 M618 | W535-V544 CarbonylContact C-O 3.5Å; W535-V544 WeakPolarHBondContact CA-O 3.27Å; W535-V544 WeakPolarHBondContact CB-O 3.46Å; F536-V544 HydrophobicContact CD1-CB 3.99Å; F536-V544 HydrophobicContact CD1-CG1 4.29Å; F536-V544 HydrophobicContact CE1-CB 3.56Å; F536-V544 HydrophobicContact CE1-CG1 3.56Å; F536-V544 HydrophobicContact CE1-CG2 4.11Å; F536-V544 HydrophobicContact CE2-CB 4.27Å; F536-V544 HydrophobicContact CE2-CG2 4.03Å; F536-V544 HydrophobicContact CG-CB 4.5Å; F536-V544 HydrophobicContact CZ-CB 3.72Å; F536-V544 HydrophobicContact CZ-CG1 3.91Å; F536-V544 HydrophobicContact CZ-CG2 3.7Å; F536-V544 PolarHBondContact N-O 3.1Å; F536-V544 PolarHBondContact O-N 3.07Å; V544-V578 HydrophobicContact CG1-CG1 3.36Å; V544-I579 WeakPolarHBondContact CA-O 3.37Å; V544-I580 HydrophobicContact CG2-CG1 4.28Å; V544-A615 HydrophobicContact CG1-CB 3.89Å; V544-A615 HydrophobicContact CG2-CB 4.43Å; V544-M618 HydrophobicContact CG1-SD 3.88Å |
| 545 | V | 95.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.1 | -174.1 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | W529 F530 F533 F534 W535 L543 L556 V578 I579 | W529-V545 HydrophobicContact CH2-CG2 4.34Å; F530-V545 HydrophobicContact CB-CG2 4.1Å; F533-V545 HydrophobicContact CB-CG1 3.41Å; F533-V545 VanDerWaalsContact CB-CG1 3.41Å; F533-V545 HydrophobicContact CD2-CG1 3.68Å; F533-V545 HydrophobicContact CG-CG1 3.77Å; F534-V545 CarbonylContact O-C 3.56Å; F534-V545 WeakPolarHBondContact O-CA 3.4Å; W535-V545 HydrophobicContact CB-CG2 4.39Å; L543-V545 HydrophobicContact CD1-CG2 4.14Å; L543-V545 HydrophobicContact CD2-CG2 4.08Å; L543-V545 HydrophobicContact CG-CG2 3.76Å; V545-L556 HydrophobicContact CB-CD1 4.21Å; V545-L556 HydrophobicContact CG1-CD1 3.58Å; V545-V578 CarbonylContact O-C 3.47Å; V545-V578 WeakPolarHBondContact O-CA 3.44Å; V545-I579 PolarHBondContact N-O 2.93Å; V545-I579 PolarHBondContact O-N 3.48Å |
| 546 | A | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F533 F534 T577 V578 M618 L622 | F533-A546 WeakPolarHBondContact CB-O 3.47Å; F534-A546 HydrophobicContact CB-CB 4.27Å; F534-A546 PolarHBondContact N-O 2.94Å; F534-A546 PolarHBondContact O-N 2.8Å; A546-T577 WeakPolarHBondContact CA-O 3.43Å; A546-V578 HydrophobicContact CB-CB 4.38Å; A546-V578 HydrophobicContact CB-CG2 3.78Å; A546-M618 HydrophobicContact CB-CE 3.59Å; A546-M618 HydrophobicContact CB-SD 4.07Å; A546-L622 HydrophobicContact CB-CD1 3.8Å |
| 547 | G | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -72.5 | 147.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N553 S576 T577 | G547-N553 WeakPolarHBondContact CA-OD1 3.25Å; G547-N553 PolarHBondContact N-OD1 3.48Å; G547-S576 WeakPolarHBondContact O-CB 3.42Å; G547-S576 PolarHBondContact O-OG 2.99Å; G547-T577 PolarHBondContact N-O 3.33Å | ||
| 548 | H | 89.6 | Confident | 91.1 | Very high | 61 Ų | 61 | 34.3 Ų | 34.3 | 28% | 0.282 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -77.2 | -28.3 | 173.9 | -71.8 | -71.5 | 0 | 0 | 0 | 113.3 | K532 F534 Q552 R1007 | K532-H548 PolarHBondContact O-CD2 3.06Å; K532-H548 VanDerWaalsContact O-CD2 3.25Å; F534-H548 AromaticContact CD1-CE1 3.36Å; F534-H548 WeakPolarHBondContact CD1-CE1 3.34Å; F534-H548 AromaticContact CD1-ND1 3.74Å; F534-H548 AromaticContact CD2-CE1 3.64Å; F534-H548 AromaticContact CD2-CG 3.94Å; F534-H548 AromaticContact CD2-ND1 3.25Å; F534-H548 WeakPolarHBondContact CD2-ND1 3.44Å; F534-H548 AromaticContact CE1-CE1 3.31Å; F534-H548 WeakPolarHBondContact CE1-CE1 3.36Å; F534-H548 AromaticContact CE1-ND1 3.43Å; F534-H548 WeakPolarHBondContact CE1-ND1 3.16Å; F534-H548 HydrophobicContact CE2-CB 4.27Å; F534-H548 AromaticContact CE2-CE1 3.63Å; F534-H548 AromaticContact CE2-CG 3.82Å; F534-H548 AromaticContact CE2-ND1 2.93Å; F534-H548 WeakPolarHBondContact CE2-ND1 3.35Å; F534-H548 AromaticContact CG-CE1 3.53Å; F534-H548 AromaticContact CG-ND1 3.66Å; F534-H548 AromaticContact CZ-CE1 3.47Å; F534-H548 VanDerWaalsContact CZ-CE1 3.47Å; F534-H548 WeakPolarHBondContact CZ-CE1 3.45Å; F534-H548 AromaticContact CZ-ND1 3.03Å; F534-H548 WeakPolarHBondContact CZ-ND1 3.42Å; H548-Q552 PolarHBondContact CD2-OE1 3.44Å; H548-Q552 VanDerWaalsContact CD2-OE1 3.24Å; H548-R1007 PolarHBondContact CE1-O 3.29Å |
| 549 | D | 90 | Very high | 90.9 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -144.1 | 173.6 | -177.6 | 63 | 26.1 | 0 | 0 | 0 | 110.6 | Q551 Q552 N553 | D549-Q551 VanDerWaalsContact C-N 3.3Å; D549-Q551 PolarHBondContact O-N 2.79Å; D549-Q551 PolarHBondContact OD1-N 3.39Å; D549-Q552 PolarHBondContact O-N 2.78Å; D549-Q552 VanDerWaalsContact OD1-CB 3.24Å; D549-Q552 WeakPolarHBondContact OD1-CB 3.18Å; D549-Q552 VanDerWaalsContact OD1-CG 3.28Å; D549-Q552 WeakPolarHBondContact OD1-CG 3.45Å; D549-Q552 PolarHBondContact OD1-N 2.88Å; D549-N553 VanDerWaalsContact O-CG 3.27Å; D549-N553 PolarHBondContact O-N 2.86Å; D549-N553 PolarHBondContact O-OD1 3.41Å |
| 550 | S | 89 | Confident | 90.8 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -35.3 | -179.1 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | N553 E554 S654 G655 | S550-N553 WeakPolarHBondContact O-CB 3.44Å; S550-N553 PolarHBondContact O-N 3.4Å; S550-E554 PolarHBondContact O-N 3.35Å; S550-S654 VanDerWaalsContact CB-O 3.22Å; S550-S654 WeakPolarHBondContact CB-O 3.43Å; S550-G655 WeakPolarHBondContact O-CA 3.13Å |
| 551 | Q | 91 | Very high | 91 | Very high | 143 Ų | 143 | 44.6 Ų | 44.6 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -68.3 | -42.4 | 178.7 | -65.8 | -173.9 | -9.1 | 0 | 0 | 111.2 | D549 N553 E554 V555 | D549-Q551 VanDerWaalsContact C-N 3.3Å; D549-Q551 PolarHBondContact O-N 2.79Å; D549-Q551 PolarHBondContact OD1-N 3.39Å; Q551-N553 VanDerWaalsContact C-N 3.35Å; Q551-E554 PolarHBondContact O-N 3.36Å; Q551-V555 WeakPolarHBondContact O-CG2 3.48Å; Q551-V555 PolarHBondContact O-N 3Å; Q551-V555 VanDerWaalsContact O-N 3.08Å |
| 552 | Q | 90.7 | Very high | 91 | Very high | 47 Ų | 47 | 48 Ų | 48 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.4 | -76.9 | -166.8 | 4.3 | 0 | 0 | 111.9 | K532 F533 H548 D549 E554 V555 L556 | K532-Q552 PolarHBondContact O-NE2 2.79Å; F533-Q552 HydrophobicContact CD1-CB 4.11Å; F533-Q552 HydrophobicContact CD1-CG 4.35Å; F533-Q552 HydrophobicContact CE1-CB 3.86Å; F533-Q552 HydrophobicContact CE1-CG 4.11Å; H548-Q552 PolarHBondContact CD2-OE1 3.44Å; H548-Q552 VanDerWaalsContact CD2-OE1 3.24Å; D549-Q552 PolarHBondContact O-N 2.78Å; D549-Q552 VanDerWaalsContact OD1-CB 3.24Å; D549-Q552 WeakPolarHBondContact OD1-CB 3.18Å; D549-Q552 VanDerWaalsContact OD1-CG 3.28Å; D549-Q552 WeakPolarHBondContact OD1-CG 3.45Å; D549-Q552 PolarHBondContact OD1-N 2.88Å; Q552-E554 VanDerWaalsContact C-N 3.3Å; Q552-E554 PolarHBondContact O-N 2.94Å; Q552-V555 PolarHBondContact O-N 3.45Å; Q552-L556 WeakPolarHBondContact O-CB 3.33Å; Q552-L556 PolarHBondContact O-N 3.5Å |
| 553 | N | 92.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 173.9 | -68.7 | -15.4 | 0 | 0 | 0 | 111 | G547 D549 S550 Q551 L556 V557 F657 | G547-N553 WeakPolarHBondContact CA-OD1 3.25Å; G547-N553 PolarHBondContact N-OD1 3.48Å; D549-N553 VanDerWaalsContact O-CG 3.27Å; D549-N553 PolarHBondContact O-N 2.86Å; D549-N553 PolarHBondContact O-OD1 3.41Å; S550-N553 WeakPolarHBondContact O-CB 3.44Å; S550-N553 PolarHBondContact O-N 3.4Å; Q551-N553 VanDerWaalsContact C-N 3.35Å; N553-L556 WeakPolarHBondContact O-CB 3.34Å; N553-L556 PolarHBondContact O-N 3.25Å; N553-V557 PolarHBondContact O-N 2.71Å; N553-F657 HydrophobicContact CB-CE2 4.33Å |
| 554 | E | 90.2 | Very high | 90.3 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.3 | -68.8 | -170.4 | -160.3 | 0 | 0 | 113 | S550 Q551 Q552 L556 K558 K644 S654 G655 F657 | S550-E554 PolarHBondContact O-N 3.35Å; Q551-E554 PolarHBondContact O-N 3.36Å; Q552-E554 VanDerWaalsContact C-N 3.3Å; Q552-E554 PolarHBondContact O-N 2.94Å; E554-L556 VanDerWaalsContact C-N 3.29Å; E554-L556 PolarHBondContact O-N 2.99Å; E554-K558 WeakPolarHBondContact O-CB 3.29Å; E554-K558 PolarHBondContact O-N 3.34Å; E554-K644 IonicContact OE2-NZ 2.8Å; E554-K644 PolarHBondContact OE2-NZ 3.42Å; E554-S654 WeakPolarHBondContact OE1-CA 3.41Å; E554-S654 WeakPolarHBondContact OE1-CB 3.09Å; E554-G655 PolarHBondContact OE1-N 2.9Å; E554-F657 HydrophobicContact CG-CZ 4.45Å |
| 555 | V | 89.7 | Confident | 90.1 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F533 Q551 Q552 R559 Y560 | F533-V555 HydrophobicContact CZ-CG1 4.38Å; Q551-V555 WeakPolarHBondContact O-CG2 3.48Å; Q551-V555 PolarHBondContact O-N 3Å; Q551-V555 VanDerWaalsContact O-N 3.08Å; Q552-V555 PolarHBondContact O-N 3.45Å; V555-R559 HydrophobicContact CG1-CG 4.35Å; V555-R559 WeakPolarHBondContact O-CB 3.42Å; V555-R559 PolarHBondContact O-N 3.01Å; V555-Y560 HydrophobicContact CG1-CE2 4.25Å |
| 556 | L | 91.5 | Very high | 90 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -53.1 | 179.8 | -161.7 | 82.6 | 0 | 0 | 0 | 110.7 | F533 V545 Q552 N553 E554 Y560 L561 I579 | F533-L556 HydrophobicContact CD1-CD1 4.09Å; F533-L556 HydrophobicContact CD2-CD1 3.81Å; F533-L556 HydrophobicContact CE1-CD1 3.98Å; F533-L556 HydrophobicContact CE2-CD1 3.68Å; F533-L556 HydrophobicContact CG-CD1 4Å; F533-L556 HydrophobicContact CZ-CD1 3.77Å; V545-L556 HydrophobicContact CB-CD1 4.21Å; V545-L556 HydrophobicContact CG1-CD1 3.58Å; Q552-L556 WeakPolarHBondContact O-CB 3.33Å; Q552-L556 PolarHBondContact O-N 3.5Å; N553-L556 WeakPolarHBondContact O-CB 3.34Å; N553-L556 PolarHBondContact O-N 3.25Å; E554-L556 VanDerWaalsContact C-N 3.29Å; E554-L556 PolarHBondContact O-N 2.99Å; L556-Y560 HydrophobicContact CD1-CD2 4.48Å; L556-Y560 WeakPolarHBondContact O-CA 3.36Å; L556-Y560 WeakPolarHBondContact O-CB 3.44Å; L556-Y560 PolarHBondContact O-N 3.5Å; L556-L561 PolarHBondContact O-N 2.67Å; L556-I579 HydrophobicContact CB-CD1 4.42Å; L556-I579 HydrophobicContact CD2-CB 4.21Å; L556-I579 HydrophobicContact CD2-CD1 3.58Å; L556-I579 HydrophobicContact CD2-CG1 3.65Å; L556-I579 HydrophobicContact CG-CD1 3.62Å; L556-I579 HydrophobicContact CG-CG1 4.26Å |
| 557 | V | 91.3 | Very high | 90 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | N553 L561 F567 T577 I579 V642 F657 | N553-V557 PolarHBondContact O-N 2.71Å; V557-L561 HydrophobicContact CG1-CD2 3.98Å; V557-L561 VanDerWaalsContact O-CB 3.28Å; V557-L561 WeakPolarHBondContact O-CB 3.41Å; V557-F567 HydrophobicContact CG2-CD2 4.27Å; V557-F567 HydrophobicContact CG2-CE2 3.93Å; V557-T577 HydrophobicContact CG2-CG2 3.84Å; V557-I579 HydrophobicContact CG2-CD1 4.45Å; V557-V642 HydrophobicContact CG1-CG1 4.04Å; V557-F657 HydrophobicContact CB-CD1 4.32Å; V557-F657 HydrophobicContact CB-CE1 3.56Å; V557-F657 HydrophobicContact CB-CE2 4.37Å; V557-F657 HydrophobicContact CB-CZ 3.59Å; V557-F657 HydrophobicContact CG1-CD1 3.99Å; V557-F657 HydrophobicContact CG1-CE1 3.65Å; V557-F657 HydrophobicContact CG1-CZ 4.18Å; V557-F657 HydrophobicContact CG2-CD1 4.29Å; V557-F657 HydrophobicContact CG2-CD2 4.21Å; V557-F657 HydrophobicContact CG2-CE1 3.71Å; V557-F657 HydrophobicContact CG2-CE2 3.62Å; V557-F657 HydrophobicContact CG2-CZ 3.34Å |
| 558 | K | 87.8 | Confident | 90.2 | Very high | 177 Ų | 177 | 53.8 Ų | 53.8 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | -175.6 | -174.5 | 175.1 | 178.7 | 178.2 | 0 | 113.4 | E554 | E554-K558 WeakPolarHBondContact O-CB 3.29Å; E554-K558 PolarHBondContact O-N 3.34Å |
| 559 | R | 87.1 | Confident | 90.4 | Very high | 164 Ų | 164 | 52.8 Ų | 52.8 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -104.1 | -28.1 | -171.8 | -59.7 | -168.4 | -174.5 | -164.3 | -1.8 | 114.2 | V555 | V555-R559 HydrophobicContact CG1-CG 4.35Å; V555-R559 WeakPolarHBondContact O-CB 3.42Å; V555-R559 PolarHBondContact O-N 3.01Å |
| 560 | Y | 89.5 | Confident | 90.6 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -118.6 | -14.5 | -167.7 | -60.3 | -78.1 | 0 | 0 | 0 | 114.7 | W529 K532 F533 V555 L556 K562 K581 | W529-Y560 HydrophobicContact CD2-CD1 4.17Å; W529-Y560 AromaticContact CD2-CE1 3.7Å; W529-Y560 HydrophobicContact CD2-CE1 3.7Å; W529-Y560 AromaticContact CE3-CD1 3.64Å; W529-Y560 HydrophobicContact CE3-CD1 3.64Å; W529-Y560 AromaticContact CE3-CE1 3.26Å; W529-Y560 HydrophobicContact CE3-CE1 3.26Å; W529-Y560 HydrophobicContact CE3-CE2 4.22Å; W529-Y560 HydrophobicContact CE3-CG 4.26Å; W529-Y560 AromaticContact CE3-CZ 3.58Å; W529-Y560 HydrophobicContact CG-CE1 4.38Å; W529-Y560 AromaticContact CH2-CD1 3.66Å; W529-Y560 HydrophobicContact CH2-CD1 3.66Å; W529-Y560 HydrophobicContact CH2-CE1 4.17Å; W529-Y560 HydrophobicContact CH2-CG 4.05Å; W529-Y560 HydrophobicContact CZ2-CD1 4.16Å; W529-Y560 AromaticContact CZ3-CD1 3.36Å; W529-Y560 HydrophobicContact CZ3-CD1 3.36Å; W529-Y560 HydrophobicContact CZ3-CD2 4.09Å; W529-Y560 AromaticContact CZ3-CE1 3.54Å; W529-Y560 HydrophobicContact CZ3-CE1 3.54Å; W529-Y560 HydrophobicContact CZ3-CE2 4.22Å; W529-Y560 AromaticContact CZ3-CG 3.66Å; W529-Y560 HydrophobicContact CZ3-CG 3.66Å; W529-Y560 AromaticContact CZ3-CZ 3.96Å; K532-Y560 PolarHBondContact NZ-OH 3.48Å; F533-Y560 HydrophobicContact CE2-CD2 4.21Å; F533-Y560 AromaticContact CE2-CE2 3.85Å; F533-Y560 HydrophobicContact CE2-CE2 3.85Å; F533-Y560 HydrophobicContact CZ-CD2 4.29Å; F533-Y560 AromaticContact CZ-CE2 3.94Å; F533-Y560 HydrophobicContact CZ-CE2 3.94Å; V555-Y560 HydrophobicContact CG1-CE2 4.25Å; L556-Y560 HydrophobicContact CD1-CD2 4.48Å; L556-Y560 WeakPolarHBondContact O-CA 3.36Å; L556-Y560 WeakPolarHBondContact O-CB 3.44Å; L556-Y560 PolarHBondContact O-N 3.5Å; Y560-K562 PolarHBondContact O-N 2.9Å; Y560-K581 PolarHBondContact O-NZ 3.16Å |
| 561 | L | 90.2 | Very high | 90.8 | Very high | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 25% | 0.25 | C | C | . | . | trans | -77.5 | 101.4 | 173.3 | -170.3 | 67 | 0 | 0 | 0 | 109.7 | L556 V557 D565 I579 H639 V642 | L556-L561 PolarHBondContact O-N 2.67Å; V557-L561 HydrophobicContact CG1-CD2 3.98Å; V557-L561 VanDerWaalsContact O-CB 3.28Å; V557-L561 WeakPolarHBondContact O-CB 3.41Å; L561-D565 HydrophobicContact CD1-CB 3.86Å; L561-I579 HydrophobicContact CB-CD1 3.9Å; L561-I579 HydrophobicContact CD1-CD1 3.88Å; L561-I579 HydrophobicContact CD1-CG1 4.16Å; L561-I579 HydrophobicContact CD1-CG2 3.9Å; L561-I579 HydrophobicContact CG-CD1 4.41Å; L561-H639 HydrophobicContact CD1-CB 4.14Å; L561-H639 HydrophobicContact CD2-CB 4.19Å; L561-H639 HydrophobicContact CG-CB 3.89Å; L561-V642 HydrophobicContact CD2-CB 4.15Å; L561-V642 HydrophobicContact CD2-CG1 4.47Å; L561-V642 HydrophobicContact CD2-CG2 4.27Å | ||
| 562 | K | 88.1 | Confident | 90.7 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | trans | -102.4 | 164.7 | 179.8 | -67.2 | -172.1 | 179 | -176.8 | 0 | 111 | Y560 G564 D565 | Y560-K562 PolarHBondContact O-N 2.9Å; K562-G564 PolarHBondContact O-N 3.04Å; K562-D565 PolarHBondContact N-OD2 3.43Å; K562-D565 WeakPolarHBondContact O-CB 3.14Å; K562-D565 PolarHBondContact O-N 2.91Å | ||
| 563 | P | 85.8 | Confident | 90.6 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 59% | 0.591 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128.5 | 171.5 | -25.9 | 35.2 | 0 | 0 | 0 | 112.9 | H639 | P563-H639 WeakPolarHBondContact CA-NE2 3.38Š|
| 564 | G | 85 | Confident | 90.3 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -18 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K562 A582 H639 | K562-G564 PolarHBondContact O-N 3.04Å; G564-A582 WeakPolarHBondContact O-CB 3.47Å; G564-H639 PolarHBondContact N-CD2 3.12Å; G564-H639 VanDerWaalsContact N-CD2 3.34Å |
| 565 | D | 91.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | trans | -72.4 | 153.2 | 175.4 | -62.7 | -25.8 | 0 | 0 | 0 | 111.1 | L561 K562 I579 I580 K581 A582 H639 | L561-D565 HydrophobicContact CD1-CB 3.86Å; K562-D565 PolarHBondContact N-OD2 3.43Å; K562-D565 WeakPolarHBondContact O-CB 3.14Å; K562-D565 PolarHBondContact O-N 2.91Å; D565-I579 HydrophobicContact CB-CG2 4.11Å; D565-I580 WeakPolarHBondContact CA-O 3.36Å; D565-I580 WeakPolarHBondContact CB-O 3.41Å; D565-K581 WeakPolarHBondContact OD1-CA 3.44Å; D565-K581 IonicContact OD1-NZ 3.91Å; D565-K581 IonicContact OD2-NZ 3.6Å; D565-K581 PolarHBondContact OD2-NZ 3.35Å; D565-A582 PolarHBondContact OD1-N 2.86Å; D565-H639 PolarHBondContact O-N 2.73Å | ||
| 566 | L | 93.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141 | 175.9 | -64.2 | -175.5 | 0 | 0 | 0 | 111.6 | I579 I580 L606 P607 L612 W636 | L566-I579 CarbonylContact O-C 3.51Å; L566-I579 WeakPolarHBondContact O-CA 3.46Å; L566-I580 HydrophobicContact CB-CB 4.33Å; L566-I580 PolarHBondContact N-O 3.47Å; L566-I580 VanDerWaalsContact N-O 3.1Å; L566-I580 PolarHBondContact O-N 3.23Å; L566-L606 HydrophobicContact CD1-CD1 3.82Å; L566-L606 HydrophobicContact CD2-CD1 4.15Å; L566-L606 HydrophobicContact CG-CD1 4.47Å; L566-P607 HydrophobicContact CD1-CG 3.84Å; L566-P607 HydrophobicContact CG-CG 4.45Å; L566-L612 HydrophobicContact CD1-CD2 3.71Å; L566-W636 HydrophobicContact CD1-CE3 4.09Å; L566-W636 HydrophobicContact CD1-CZ3 4.39Å; L566-W636 HydrophobicContact CD2-CE3 3.98Å; L566-W636 HydrophobicContact CD2-CZ3 4.02Å |
| 567 | F | 95.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130 | 172.9 | -179.8 | -79.2 | 0 | 0 | 0 | 109.5 | V557 H569 T577 W635 W636 V637 V642 F657 I659 | V557-F567 HydrophobicContact CG2-CD2 4.27Å; V557-F567 HydrophobicContact CG2-CE2 3.93Å; F567-H569 HydrophobicContact CE1-CB 3.8Å; F567-T577 HydrophobicContact CD2-CG2 3.78Å; F567-T577 HydrophobicContact CE2-CG2 3.15Å; F567-T577 HydrophobicContact CZ-CG2 3.66Å; F567-W635 HydrophobicContact CD1-CH2 4.38Å; F567-W635 AromaticContact CD1-CZ3 3.96Å; F567-W635 HydrophobicContact CD1-CZ3 3.96Å; F567-W635 AromaticContact CE1-CH2 3.78Å; F567-W635 HydrophobicContact CE1-CH2 3.78Å; F567-W635 AromaticContact CE1-CZ3 3.83Å; F567-W635 HydrophobicContact CE1-CZ3 3.83Å; F567-W636 CarbonylContact O-C 3.58Å; F567-W636 WeakPolarHBondContact O-CA 3.29Å; F567-W636 WeakPolarHBondContact O-CB 3.5Å; F567-V637 HydrophobicContact CB-CG2 3.89Å; F567-V637 HydrophobicContact CD1-CG2 3.84Å; F567-V637 HydrophobicContact CG-CG2 4.2Å; F567-V637 PolarHBondContact N-O 3.4Å; F567-V637 PolarHBondContact O-N 2.82Å; F567-V642 HydrophobicContact CB-CG2 3.69Å; F567-V642 HydrophobicContact CD1-CG2 4.21Å; F567-V642 HydrophobicContact CD2-CG1 4.03Å; F567-V642 HydrophobicContact CD2-CG2 3.72Å; F567-V642 HydrophobicContact CE2-CG1 3.94Å; F567-V642 HydrophobicContact CE2-CG2 4.32Å; F567-V642 HydrophobicContact CG-CG2 3.64Å; F567-F657 AromaticContact CE2-CD2 3.97Å; F567-F657 HydrophobicContact CE2-CD2 3.97Å; F567-F657 HydrophobicContact CE2-CE2 4.47Å; F567-F657 HydrophobicContact CE2-CG 4.44Å; F567-F657 HydrophobicContact CZ-CD2 4.04Å; F567-I659 HydrophobicContact CD1-CD1 4.28Å; F567-I659 HydrophobicContact CE1-CD1 3.9Å; F567-I659 HydrophobicContact CZ-CD1 4.26Å |
| 568 | V | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138 | -179.9 | -172 | 0 | 0 | 0 | 0 | 109.6 | V578 I580 A615 W635 W636 | V568-V578 HydrophobicContact CB-CB 4.13Å; V568-V578 HydrophobicContact CB-CG1 4.5Å; V568-V578 PolarHBondContact N-O 3.48Å; V568-V578 WeakPolarHBondContact O-CB 3.39Å; V568-V578 PolarHBondContact O-N 2.85Å; V568-I580 HydrophobicContact CG2-CD1 3.84Å; V568-I580 HydrophobicContact CG2-CG1 4.09Å; V568-A615 HydrophobicContact CG2-CB 4.23Å; V568-W635 WeakPolarHBondContact CA-O 3.23Å; V568-W636 HydrophobicContact CB-CB 4.46Å; V568-W636 HydrophobicContact CG2-CB 3.85Å |
| 569 | H | 94.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.6 | -180 | -165.9 | -83.8 | 0 | 0 | 0 | 110.6 | F567 A575 A634 W635 | F567-H569 HydrophobicContact CE1-CB 3.8Å; H569-A575 PolarHBondContact NE2-O 3.3Å; H569-A634 CarbonylContact O-C 3.6Å; H569-A634 WeakPolarHBondContact O-CA 3.45Å; H569-W635 HydrophobicContact CB-CD2 4.37Å; H569-W635 HydrophobicContact CB-CE3 4.42Å; H569-W635 HydrophobicContact CB-CH2 3.57Å; H569-W635 HydrophobicContact CB-CZ2 3.55Å; H569-W635 HydrophobicContact CB-CZ3 4.05Å; H569-W635 AromaticContact CG-CZ2 3.84Å; H569-W635 PolarHBondContact N-O 2.77Å; H569-W635 AromaticContact ND1-CZ2 3.78Å; H569-W635 PolarHBondContact O-N 3.25Å |
| 570 | A | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 147.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I572 A575 A619 V620 | A570-I572 HydrophobicContact CB-CG2 3.94Å; A570-I572 PolarHBondContact O-N 2.9Å; A570-A575 HydrophobicContact CB-CB 3.79Å; A570-A619 HydrophobicContact CB-CB 4.13Å; A570-V620 HydrophobicContact CB-CG2 3.81Å |
| 571 | D | 92.3 | Very high | 91.7 | Very high | 85 Ų | 85 | 32 Ų | 32 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.3 | 51.5 | 179.4 | -154.5 | 20.7 | 0 | 0 | 0 | 112 | T632 R633 | D571-T632 HydrophobicContact CB-CG2 4.07Å; D571-T632 WeakPolarHBondContact O-CG2 3.4Å; D571-R633 PolarHBondContact N-O 3.05Å |
| 572 | I | 90.4 | Very high | 91.4 | Very high | 37 Ų | 37 | 31 Ų | 31 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -149.2 | 151.8 | -177.2 | -163.6 | 172.7 | 0 | 0 | 0 | 111.1 | A570 A575 S623 S624 A625 T632 | A570-I572 HydrophobicContact CB-CG2 3.94Å; A570-I572 PolarHBondContact O-N 2.9Å; I572-A575 HydrophobicContact CG2-CB 4.14Å; I572-S623 VanDerWaalsContact CG2-CB 3.49Å; I572-S623 VanDerWaalsContact CG2-OG 3.3Å; I572-S623 WeakPolarHBondContact CG2-OG 3.22Å; I572-S624 WeakPolarHBondContact CD1-OG 3.44Å; I572-S624 WeakPolarHBondContact CG1-OG 3.48Å; I572-A625 HydrophobicContact CD1-CB 3.82Å; I572-T632 HydrophobicContact CB-CG2 4.31Å |
| 573 | H | 87.6 | Confident | 91.1 | Very high | 167 Ų | 167 | 27.5 Ų | 27.5 | 77% | 0.773 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 144.1 | 176.6 | -164.4 | 80.3 | 0 | 0 | 0 | 112.2 | A575 S624 | H573-A575 VanDerWaalsContact C-N 3.26Å; H573-A575 PolarHBondContact O-N 2.92Å; H573-S624 WeakPolarHBondContact O-CB 3.39Å; H573-S624 PolarHBondContact O-OG 3.5Å |
| 574 | G | 86.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 56% | 0.557 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 15.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 575 | A | 91.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 136.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | H569 A570 I572 H573 S623 | H569-A575 PolarHBondContact NE2-O 3.3Å; A570-A575 HydrophobicContact CB-CB 3.79Å; I572-A575 HydrophobicContact CG2-CB 4.14Å; H573-A575 VanDerWaalsContact C-N 3.26Å; H573-A575 PolarHBondContact O-N 2.92Å; A575-S623 VanDerWaalsContact CA-CB 3.48Å |
| 576 | S | 92.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 144.8 | 170.1 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | G547 V578 L622 | G547-S576 WeakPolarHBondContact O-CB 3.42Å; G547-S576 PolarHBondContact O-OG 2.99Å; S576-V578 PolarHBondContact O-N 3.28Å; S576-L622 PolarHBondContact N-O 3.14Å; S576-L622 VanDerWaalsContact N-O 3.07Å |
| 577 | T | 93.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 124.1 | 169.6 | -59.9 | 0 | 0 | 0 | 0 | 110 | A546 G547 V557 F567 F657 | A546-T577 WeakPolarHBondContact CA-O 3.43Å; G547-T577 PolarHBondContact N-O 3.33Å; V557-T577 HydrophobicContact CG2-CG2 3.84Å; F567-T577 HydrophobicContact CD2-CG2 3.78Å; F567-T577 HydrophobicContact CE2-CG2 3.15Å; F567-T577 HydrophobicContact CZ-CG2 3.66Å; T577-F657 HydrophobicContact CG2-CE2 4.27Å; T577-F657 WeakPolarHBondContact OG1-CE2 3.4Å |
| 578 | V | 95.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.5 | 178.6 | -175 | 0 | 0 | 0 | 0 | 109.7 | V544 V545 A546 V568 S576 A615 M618 A619 | V544-V578 HydrophobicContact CG1-CG1 3.36Å; V545-V578 CarbonylContact O-C 3.47Å; V545-V578 WeakPolarHBondContact O-CA 3.44Å; A546-V578 HydrophobicContact CB-CB 4.38Å; A546-V578 HydrophobicContact CB-CG2 3.78Å; V568-V578 HydrophobicContact CB-CB 4.13Å; V568-V578 HydrophobicContact CB-CG1 4.5Å; V568-V578 PolarHBondContact N-O 3.48Å; V568-V578 WeakPolarHBondContact O-CB 3.39Å; V568-V578 PolarHBondContact O-N 2.85Å; S576-V578 PolarHBondContact O-N 3.28Å; V578-A615 HydrophobicContact CG1-CB 4.31Å; V578-M618 HydrophobicContact CG1-SD 4.17Å; V578-A619 HydrophobicContact CG2-CB 3.68Å |
| 579 | I | 95.6 | Very high | 84 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.2 | 175 | -60.8 | -179.8 | 0 | 0 | 0 | 109.4 | V544 V545 L556 V557 L561 D565 L566 K581 | V544-I579 WeakPolarHBondContact CA-O 3.37Å; V545-I579 PolarHBondContact N-O 2.93Å; V545-I579 PolarHBondContact O-N 3.48Å; L556-I579 HydrophobicContact CB-CD1 4.42Å; L556-I579 HydrophobicContact CD2-CB 4.21Å; L556-I579 HydrophobicContact CD2-CD1 3.58Å; L556-I579 HydrophobicContact CD2-CG1 3.65Å; L556-I579 HydrophobicContact CG-CD1 3.62Å; L556-I579 HydrophobicContact CG-CG1 4.26Å; V557-I579 HydrophobicContact CG2-CD1 4.45Å; L561-I579 HydrophobicContact CB-CD1 3.9Å; L561-I579 HydrophobicContact CD1-CD1 3.88Å; L561-I579 HydrophobicContact CD1-CG1 4.16Å; L561-I579 HydrophobicContact CD1-CG2 3.9Å; L561-I579 HydrophobicContact CG-CD1 4.41Å; D565-I579 HydrophobicContact CB-CG2 4.11Å; L566-I579 CarbonylContact O-C 3.51Å; L566-I579 WeakPolarHBondContact O-CA 3.46Å; I579-K581 HydrophobicContact CG2-CD 4.28Å |
| 580 | I | 95.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.8 | 169.5 | -52.2 | 174.8 | 0 | 0 | 0 | 107.8 | Y542 V544 D565 L566 V568 P607 T611 L612 A615 | Y542-I580 HydrophobicContact CD1-CG2 4.01Å; Y542-I580 HydrophobicContact CG-CG2 4.4Å; V544-I580 HydrophobicContact CG2-CG1 4.28Å; D565-I580 WeakPolarHBondContact CA-O 3.36Å; D565-I580 WeakPolarHBondContact CB-O 3.41Å; L566-I580 HydrophobicContact CB-CB 4.33Å; L566-I580 PolarHBondContact N-O 3.47Å; L566-I580 VanDerWaalsContact N-O 3.1Å; L566-I580 PolarHBondContact O-N 3.23Å; V568-I580 HydrophobicContact CG2-CD1 3.84Å; V568-I580 HydrophobicContact CG2-CG1 4.09Å; I580-P607 HydrophobicContact CG2-CB 4.4Å; I580-P607 HydrophobicContact CG2-CG 3.99Å; I580-T611 HydrophobicContact CD1-CG2 4.45Å; I580-T611 HydrophobicContact CG2-CG2 4.24Å; I580-L612 HydrophobicContact CD1-CD2 3.78Å; I580-A615 HydrophobicContact CD1-CB 3.62Å; I580-A615 HydrophobicContact CG1-CB 3.85Å |
| 581 | K | 92 | Very high | 80.4 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 129.2 | 178.6 | -62.5 | -63.7 | -69.7 | 164 | 0 | 110.5 | Y542 L543 Y560 D565 I579 L926 | Y542-K581 WeakPolarHBondContact CD1-O 3.39Å; L543-K581 HydrophobicContact CB-CB 4.28Å; L543-K581 HydrophobicContact CB-CG 4.35Å; L543-K581 HydrophobicContact CD2-CG 4.22Å; L543-K581 HydrophobicContact CG-CG 4.38Å; L543-K581 PolarHBondContact O-N 3.25Å; Y560-K581 PolarHBondContact O-NZ 3.16Å; D565-K581 WeakPolarHBondContact OD1-CA 3.44Å; D565-K581 IonicContact OD1-NZ 3.91Å; D565-K581 IonicContact OD2-NZ 3.6Å; D565-K581 PolarHBondContact OD2-NZ 3.35Å; I579-K581 HydrophobicContact CG2-CD 4.28Å; K581-L926 HydrophobicContact CB-CD2 4.29Å |
| 582 | A | 85.5 | Confident | 78.5 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 141.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G564 D565 L604 | G564-A582 WeakPolarHBondContact O-CB 3.47Å; D565-A582 PolarHBondContact OD1-N 2.86Å; A582-L604 HydrophobicContact CB-CD1 4.24Å |
| 583 | R | 82.1 | Confident | 76.6 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -131 | 157.4 | 171.6 | 70.2 | 174.2 | -176 | 90.1 | -11.3 | 110.3 | E540 N541 Y542 E589 | E540-R583 PolarHBondContact O-NE 2.73Å; E540-R583 PolarHBondContact O-NH2 3.37Å; N541-R583 WeakPolarHBondContact O-CD 3.37Å; Y542-R583 HydrophobicContact CD1-CG 4.12Å; Y542-R583 HydrophobicContact CE1-CG 3.7Å; Y542-R583 HydrophobicContact CE2-CG 4.38Å; R583-E589 IonicContact CZ-OE1 2.79Å; R583-E589 IonicContact CZ-OE2 3.69Å; R583-E589 IonicContact NH1-OE1 3.61Å; R583-E589 IonicContact NH1-OE2 2.66Å; R583-E589 PolarHBondContact NH1-OE2 3.43Å; R583-E589 IonicContact NH2-OE1 3.48Å; R583-E589 PolarHBondContact NH2-OE1 3.33Å; R583-E589 IonicContact NH2-OE2 3.59Å; R583-E589 PolarHBondContact NH2-OE2 3.19Å | ||
| 584 | H | 73 | Confident | 74.7 | Confident | 84 Ų | 84 | 50 Ų | 50 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 148.1 | 167.2 | -69 | -78.6 | 0 | 0 | 0 | 110.1 | L604 | H584-L604 WeakPolarHBondContact CE1-CD2 3.46Š|
| 585 | L | 70.2 | Confident | 73.1 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 135.5 | 167.2 | -78.2 | 145.4 | 0 | 0 | 0 | 108.1 | E589 V590 P605 I695 | L585-E589 HydrophobicContact CB-CB 4.2Å; L585-E589 HydrophobicContact CD2-CB 3.5Å; L585-E589 VanDerWaalsContact CD2-CB 3.5Å; L585-E589 HydrophobicContact CD2-CG 4.34Å; L585-E589 HydrophobicContact CG-CB 4.45Å; L585-V590 HydrophobicContact CB-CG2 3.83Å; L585-P605 HydrophobicContact CD1-CB 3.48Å; L585-P605 VanDerWaalsContact CD1-CB 3.48Å; L585-P605 HydrophobicContact CD1-CG 3.52Å; L585-P605 HydrophobicContact CG-CB 4.14Å; L585-P605 HydrophobicContact CG-CG 3.71Å; L585-I695 HydrophobicContact CD2-CD1 3.93Å |
| 586 | T | 67.6 | Low | 71 | Confident | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.8 | 172.8 | 56 | 0 | 0 | 0 | 0 | 109.8 | E588 E589 V590 | T586-E588 PolarHBondContact O-N 3.09Å; T586-E588 VanDerWaalsContact O-N 3.09Å; T586-E589 PolarHBondContact N-OE2 2.83Å; T586-E589 WeakPolarHBondContact O-CA 3.49Å; T586-E589 WeakPolarHBondContact O-CB 3.39Å; T586-E589 PolarHBondContact O-N 2.86Å; T586-E589 VanDerWaalsContact OG1-CG 3.3Å; T586-E589 WeakPolarHBondContact OG1-CG 3.34Å; T586-E589 PolarHBondContact OG1-OE2 2.94Å; T586-V590 PolarHBondContact O-N 3.46Å |
| 587 | S | 60.9 | Low | 68.8 | Low | 101 Ų | 101 | 61.8 Ų | 61.8 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -50 | -40.3 | -177 | -35.4 | 0 | 0 | 0 | 0 | 112.8 | E589 V590 | S587-E589 VanDerWaalsContact C-N 3.29Å; S587-E589 PolarHBondContact O-N 3.3Å; S587-V590 PolarHBondContact O-N 3.48Å |
| 588 | E | 60.5 | Low | 66.7 | Low | 133 Ų | 133 | 65.2 Ų | 65.2 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.9 | -24.8 | 179.1 | -62.6 | 172.8 | -159.9 | 0 | 0 | 113.5 | T586 | T586-E588 PolarHBondContact O-N 3.09Å; T586-E588 VanDerWaalsContact O-N 3.09Å |
| 589 | E | 64.4 | Low | 64.3 | Low | 18 Ų | 18 | 70.7 Ų | 70.7 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -86.3 | -21.7 | 179.3 | -64.6 | 168.7 | 145.7 | 0 | 0 | 112 | R583 L585 T586 S587 I695 | R583-E589 IonicContact CZ-OE1 2.79Å; R583-E589 IonicContact CZ-OE2 3.69Å; R583-E589 IonicContact NH1-OE1 3.61Å; R583-E589 IonicContact NH1-OE2 2.66Å; R583-E589 PolarHBondContact NH1-OE2 3.43Å; R583-E589 IonicContact NH2-OE1 3.48Å; R583-E589 PolarHBondContact NH2-OE1 3.33Å; R583-E589 IonicContact NH2-OE2 3.59Å; R583-E589 PolarHBondContact NH2-OE2 3.19Å; L585-E589 HydrophobicContact CB-CB 4.2Å; L585-E589 HydrophobicContact CD2-CB 3.5Å; L585-E589 VanDerWaalsContact CD2-CB 3.5Å; L585-E589 HydrophobicContact CD2-CG 4.34Å; L585-E589 HydrophobicContact CG-CB 4.45Å; T586-E589 PolarHBondContact N-OE2 2.83Å; T586-E589 WeakPolarHBondContact O-CA 3.49Å; T586-E589 WeakPolarHBondContact O-CB 3.39Å; T586-E589 PolarHBondContact O-N 2.86Å; T586-E589 VanDerWaalsContact OG1-CG 3.3Å; T586-E589 WeakPolarHBondContact OG1-CG 3.34Å; T586-E589 PolarHBondContact OG1-OE2 2.94Å; S587-E589 VanDerWaalsContact C-N 3.29Å; S587-E589 PolarHBondContact O-N 3.3Å; E589-I695 WeakPolarHBondContact OE1-CG1 3.44Å |
| 590 | V | 59.9 | Low | 61.8 | Low | 87 Ų | 87 | 77.8 Ų | 77.8 | 53% | 0.527 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.4 | -30.6 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | L585 T586 S587 S592 | L585-V590 HydrophobicContact CB-CG2 3.83Å; T586-V590 PolarHBondContact O-N 3.46Å; S587-V590 PolarHBondContact O-N 3.48Å; V590-S592 PolarHBondContact O-N 2.84Å; V590-S592 VanDerWaalsContact O-N 3.16Å |
| 591 | D | 52.3 | Low | 59.4 | Low | 140 Ų | 140 | 87.1 Ų | 87.1 | 75% | 0.749 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -1.3 | -175.3 | -70.2 | -24.8 | 0 | 0 | 0 | 114.4 | P593 | D591-P593 WeakPolarHBondContact O-CD 3.41Š|
| 592 | S | 52.1 | Low | 57.1 | Low | 48 Ų | 48 | 92.9 Ų | 92.9 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | trans | -77.6 | 120.3 | 176.3 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | V590 N594 H595 | V590-S592 PolarHBondContact O-N 2.84Å; V590-S592 VanDerWaalsContact O-N 3.16Å; S592-N594 PolarHBondContact O-N 3.49Å; S592-H595 PolarHBondContact O-N 3.09Å | ||
| 593 | P | 50.3 | Low | 55.6 | Low | 111 Ų | 111 | 97.5 Ų | 97.5 | 72% | 0.721 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -62 | -16.2 | -168.5 | 20.7 | -31.5 | 0 | 0 | 0 | 115.2 | D591 | D591-P593 WeakPolarHBondContact O-CD 3.41Š|
| 594 | N | 48.9 | Very low | 54.8 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -92.1 | 1.9 | -177.5 | -68.9 | -10.4 | 0 | 0 | 0 | 114.5 | S592 | S592-N594 PolarHBondContact O-N 3.49Š|
| 595 | H | 53 | Low | 54.8 | Low | 31 Ų | 31 | 94.9 Ų | 94.9 | 14% | 0.144 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -87.8 | -4.4 | -179.5 | -90.8 | -46.2 | 0 | 0 | 0 | 114.9 | S592 D597 L598 | S592-H595 PolarHBondContact O-N 3.09Å; H595-D597 PolarHBondContact O-N 3.05Å; H595-L598 VanDerWaalsContact CE1-CD1 3.49Å; H595-L598 WeakPolarHBondContact CE1-CD1 3.41Å; H595-L598 WeakPolarHBondContact ND1-CD1 3.48Å; H595-L598 PolarHBondContact O-N 3.34Å |
| 596 | Q | 45.6 | Very low | 55.3 | Low | 160 Ų | 160 | 95.9 Ų | 95.9 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -61.6 | -29.7 | 177 | -75.8 | -178.6 | -0.5 | 0 | 0 | 112.9 | L598 L599 | Q596-L598 VanDerWaalsContact C-N 3.29Å; Q596-L598 PolarHBondContact O-N 3.33Å; Q596-L599 PolarHBondContact O-N 2.87Å |
| 597 | D | 46.3 | Very low | 56.1 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -76.8 | -13.1 | 177.3 | -70.2 | -21.3 | 0 | 0 | 0 | 113.8 | H595 | H595-D597 PolarHBondContact O-N 3.05Š|
| 598 | L | 49.1 | Very low | 57.4 | Low | 72 Ų | 72 | 89.7 Ų | 89.7 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -92.8 | 2.8 | 178.3 | -77.5 | 163.2 | 0 | 0 | 0 | 113.4 | H595 Q596 H600 L606 | H595-L598 VanDerWaalsContact CE1-CD1 3.49Å; H595-L598 WeakPolarHBondContact CE1-CD1 3.41Å; H595-L598 WeakPolarHBondContact ND1-CD1 3.48Å; H595-L598 PolarHBondContact O-N 3.34Å; Q596-L598 VanDerWaalsContact C-N 3.29Å; Q596-L598 PolarHBondContact O-N 3.33Å; L598-H600 PolarHBondContact O-N 3.48Å; L598-L606 HydrophobicContact CD2-CB 4.42Å |
| 599 | L | 46.4 | Very low | 58.8 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | trans | -94.5 | 61.8 | 172.8 | -73.9 | 163.7 | 0 | 0 | 0 | 110.9 | Q596 Q601 | Q596-L599 PolarHBondContact O-N 2.87Å; L599-Q601 PolarHBondContact O-N 3.3Å | ||
| 600 | H | 43.3 | Very low | 60 | Low | 151 Ų | 151 | 92.4 Ų | 92.4 | 70% | 0.699 | 49% | 0.494 | S | S | * | . | trans | -83.7 | 105.5 | 171.1 | -75.2 | -40.7 | 0 | 0 | 0 | 111.2 | L598 H602 | L598-H600 PolarHBondContact O-N 3.48Å; H600-H602 PolarHBondContact O-N 3.49Å | ||
| 601 | Q | 44.4 | Very low | 61.5 | Low | 196 Ų | 196 | 88.2 Ų | 88.2 | 92% | 0.916 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 46.8 | -14 | 161.5 | -76.5 | -178.2 | -14.1 | 0 | 0 | 120.5 | L599 | L599-Q601 PolarHBondContact O-N 3.3Š|
| 602 | H | 43.7 | Very low | 63.5 | Low | 142 Ų | 142 | 82 Ų | 82 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -112.9 | 136.1 | 177.9 | -63.3 | -69.9 | 0 | 0 | 0 | 107.4 | H600 L604 | H600-H602 PolarHBondContact O-N 3.49Å; H602-L604 PolarHBondContact O-N 2.58Å |
| 603 | S | 53.4 | Low | 65.5 | Low | 107 Ų | 107 | 81.8 Ų | 81.8 | 75% | 0.748 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -62.1 | 4.4 | -169.7 | 53.9 | 0 | 0 | 0 | 0 | 116 | ||
| 604 | L | 66.3 | Low | 67.6 | Low | 23 Ų | 23 | 76.6 Ų | 76.6 | 12% | 0.12 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -133.4 | 138.8 | -173.2 | -69.9 | 154.1 | 0 | 0 | 0 | 110.8 | A582 H584 H602 | A582-L604 HydrophobicContact CB-CD1 4.24Å; H584-L604 WeakPolarHBondContact CE1-CD2 3.46Å; H602-L604 PolarHBondContact O-N 2.58Å |
| 605 | P | 72 | Confident | 69.8 | Low | 16 Ų | 16 | 71.3 Ų | 71.3 | 10% | 0.104 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 143.4 | -178.9 | 31.5 | -36.6 | 0 | 0 | 0 | 111.5 | L585 | L585-P605 HydrophobicContact CD1-CB 3.48Å; L585-P605 VanDerWaalsContact CD1-CB 3.48Å; L585-P605 HydrophobicContact CD1-CG 3.52Å; L585-P605 HydrophobicContact CG-CB 4.14Å; L585-P605 HydrophobicContact CG-CG 3.71Å |
| 606 | L | 81.2 | Confident | 71.7 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 135.1 | 171.2 | -168.1 | 73.6 | 0 | 0 | 0 | 110 | L566 L598 W636 | L566-L606 HydrophobicContact CD1-CD1 3.82Å; L566-L606 HydrophobicContact CD2-CD1 4.15Å; L566-L606 HydrophobicContact CG-CD1 4.47Å; L598-L606 HydrophobicContact CD2-CB 4.42Å; L606-W636 HydrophobicContact CD1-CH2 4.07Å; L606-W636 HydrophobicContact CD1-CZ3 4.19Å; L606-W636 HydrophobicContact CD2-CH2 4.15Å; L606-W636 HydrophobicContact CD2-CZ2 4.44Å |
| 607 | P | 85 | Confident | 74 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 141.2 | 174 | -25.6 | 34.5 | 0 | 0 | 0 | 112.2 | Y542 L566 I580 T611 | Y542-P607 HydrophobicContact CD1-CB 4.26Å; Y542-P607 HydrophobicContact CD1-CG 4.14Å; Y542-P607 HydrophobicContact CE1-CB 4Å; Y542-P607 HydrophobicContact CE1-CG 3.82Å; L566-P607 HydrophobicContact CD1-CG 3.84Å; L566-P607 HydrophobicContact CG-CG 4.45Å; I580-P607 HydrophobicContact CG2-CB 4.4Å; I580-P607 HydrophobicContact CG2-CG 3.99Å; P607-T611 HydrophobicContact CB-CG2 4.12Å |
| 608 | P | 87.3 | Confident | 76.4 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 158.7 | -178.4 | -19.8 | 30.4 | 0 | 0 | 0 | 113.2 | E540 K610 T611 L612 I695 | E540-P608 VanDerWaalsContact OE2-CB 3.29Å; E540-P608 WeakPolarHBondContact OE2-CB 3.12Å; E540-P608 VanDerWaalsContact OE2-CG 3.32Å; E540-P608 WeakPolarHBondContact OE2-CG 3.33Å; P608-K610 PolarHBondContact O-N 2.88Å; P608-T611 PolarHBondContact O-N 3.26Å; P608-T611 VanDerWaalsContact O-N 3.11Å; P608-L612 PolarHBondContact O-N 3.47Å; P608-L612 VanDerWaalsContact O-N 3.11Å; P608-I695 HydrophobicContact CG-CD1 4Å; P608-I695 HydrophobicContact CG-CG1 4.17Å; P608-I695 HydrophobicContact CG-CG2 4.17Å |
| 609 | P | 89.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 66% | 0.656 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.5 | -29.6 | -177.2 | -26.9 | 34.8 | 0 | 0 | 0 | 114.6 | L612 S613 | P609-L612 PolarHBondContact O-N 3.38Å; P609-S613 WeakPolarHBondContact O-CB 3.31Å; P609-S613 PolarHBondContact O-N 3.15Å; P609-S613 PolarHBondContact O-OG 3.2Å |
| 610 | K | 90.2 | Very high | 80.8 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.4 | -49 | 178 | -169.7 | -178.9 | -178.9 | -167.1 | 0 | 111.6 | S539 P608 L612 S613 E614 | S539-K610 WeakPolarHBondContact OG-CE 3.24Å; S539-K610 PolarHBondContact OG-NZ 2.95Å; P608-K610 PolarHBondContact O-N 2.88Å; K610-L612 VanDerWaalsContact C-N 3.29Å; K610-L612 PolarHBondContact O-N 3.27Å; K610-S613 PolarHBondContact O-N 3.32Å; K610-E614 WeakPolarHBondContact O-CG 3.02Å; K610-E614 PolarHBondContact O-N 2.65Å |
| 611 | T | 92.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 173.1 | -71 | 0 | 0 | 0 | 0 | 111.5 | S538 E540 Y542 I580 P607 P608 S613 E614 A615 | S538-T611 PolarHBondContact OG-OG1 3.43Å; E540-T611 WeakPolarHBondContact OE2-CB 3.32Å; E540-T611 PolarHBondContact OE2-N 3.35Å; E540-T611 PolarHBondContact OE2-OG1 3.42Å; Y542-T611 HydrophobicContact CD2-CG2 4.13Å; Y542-T611 HydrophobicContact CG-CG2 3.98Å; I580-T611 HydrophobicContact CD1-CG2 4.45Å; I580-T611 HydrophobicContact CG2-CG2 4.24Å; P607-T611 HydrophobicContact CB-CG2 4.12Å; P608-T611 PolarHBondContact O-N 3.26Å; P608-T611 VanDerWaalsContact O-N 3.11Å; T611-S613 PolarHBondContact O-N 3.25Å; T611-E614 PolarHBondContact O-N 3.2Å; T611-A615 PolarHBondContact O-N 3Å |
| 612 | L | 93.2 | Very high | 85.5 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 175.8 | -71.7 | 171.2 | 0 | 0 | 0 | 112.4 | L566 I580 P608 P609 K610 A615 G616 W636 L666 | L566-L612 HydrophobicContact CD1-CD2 3.71Å; I580-L612 HydrophobicContact CD1-CD2 3.78Å; P608-L612 PolarHBondContact O-N 3.47Å; P608-L612 VanDerWaalsContact O-N 3.11Å; P609-L612 PolarHBondContact O-N 3.38Å; K610-L612 VanDerWaalsContact C-N 3.29Å; K610-L612 PolarHBondContact O-N 3.27Å; L612-A615 PolarHBondContact O-N 3.17Å; L612-G616 PolarHBondContact O-N 2.98Å; L612-W636 HydrophobicContact CD2-CD2 4.37Å; L612-W636 HydrophobicContact CD2-CG 4.12Å; L612-L666 HydrophobicContact CB-CD1 4.5Å; L612-L666 HydrophobicContact CB-CD2 3.99Å; L612-L666 VanDerWaalsContact O-CD1 3.27Å; L612-L666 WeakPolarHBondContact O-CD1 3.47Å |
| 613 | S | 93.8 | Very high | 87.8 | Confident | 42 Ų | 42 | 25.7 Ų | 25.7 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | P609 K610 T611 G616 N617 | P609-S613 WeakPolarHBondContact O-CB 3.31Å; P609-S613 PolarHBondContact O-N 3.15Å; P609-S613 PolarHBondContact O-OG 3.2Å; K610-S613 PolarHBondContact O-N 3.32Å; T611-S613 PolarHBondContact O-N 3.25Å; S613-G616 PolarHBondContact O-N 3.1Å; S613-N617 VanDerWaalsContact O-CG 3.27Å; S613-N617 PolarHBondContact O-N 3.25Å; S613-N617 PolarHBondContact O-OD1 3.3Å |
| 614 | E | 94.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.2 | -72.6 | 173.8 | 174.8 | 0 | 0 | 111.6 | F536 S538 S539 K610 T611 N617 M618 P952 S954 V955 | F536-E614 HydrophobicContact CE2-CB 4.04Å; F536-E614 HydrophobicContact CZ-CB 3.98Å; S538-E614 WeakPolarHBondContact CA-OE2 3.49Å; S538-E614 WeakPolarHBondContact CB-OE2 3.18Å; S539-E614 WeakPolarHBondContact CB-OE1 3.39Å; S539-E614 PolarHBondContact N-OE2 3.31Å; S539-E614 PolarHBondContact OG-OE1 3.41Å; S539-E614 PolarHBondContact OG-OE2 3.15Å; K610-E614 WeakPolarHBondContact O-CG 3.02Å; K610-E614 PolarHBondContact O-N 2.65Å; T611-E614 PolarHBondContact O-N 3.2Å; E614-N617 PolarHBondContact O-N 2.64Å; E614-M618 PolarHBondContact O-N 2.9Å; E614-M618 VanDerWaalsContact O-N 3.14Å; E614-P952 HydrophobicContact CB-CG 4.15Å; E614-P952 WeakPolarHBondContact O-CG 3.4Å; E614-S954 PolarHBondContact OE1-OG 2.86Å; E614-V955 HydrophobicContact CB-CG2 4.47Å; E614-V955 HydrophobicContact CG-CG2 3.99Å; E614-V955 WeakPolarHBondContact OE1-CG2 3.39Å; E614-V955 VanDerWaalsContact OE2-CG2 3.29Å; E614-V955 WeakPolarHBondContact OE2-CG2 3.43Å |
| 615 | A | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V544 V568 V578 I580 T611 L612 M618 A619 | V544-A615 HydrophobicContact CG1-CB 3.89Å; V544-A615 HydrophobicContact CG2-CB 4.43Å; V568-A615 HydrophobicContact CG2-CB 4.23Å; V578-A615 HydrophobicContact CG1-CB 4.31Å; I580-A615 HydrophobicContact CD1-CB 3.62Å; I580-A615 HydrophobicContact CG1-CB 3.85Å; T611-A615 PolarHBondContact O-N 3Å; L612-A615 PolarHBondContact O-N 3.17Å; A615-M618 WeakPolarHBondContact O-CB 3.12Å; A615-M618 PolarHBondContact O-N 3.15Å; A615-A619 PolarHBondContact O-N 3.34Å |
| 616 | G | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L612 S613 M618 A619 V620 | L612-G616 PolarHBondContact O-N 2.98Å; S613-G616 PolarHBondContact O-N 3.1Å; G616-M618 VanDerWaalsContact C-N 3.33Å; G616-M618 PolarHBondContact O-N 3.04Å; G616-A619 PolarHBondContact O-N 3.04Å; G616-V620 WeakPolarHBondContact O-CG2 3.41Å; G616-V620 PolarHBondContact O-N 3.4Å |
| 617 | N | 94 | Very high | 92 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 174.6 | -72.4 | -11.9 | 0 | 0 | 0 | 111.4 | S613 E614 V620 V621 C669 P670 P952 | S613-N617 VanDerWaalsContact O-CG 3.27Å; S613-N617 PolarHBondContact O-N 3.25Å; S613-N617 PolarHBondContact O-OD1 3.3Å; E614-N617 PolarHBondContact O-N 2.64Å; N617-V620 PolarHBondContact O-N 3.15Å; N617-V621 WeakPolarHBondContact O-CB 3.43Å; N617-V621 VanDerWaalsContact O-CG2 3.26Å; N617-V621 WeakPolarHBondContact O-CG2 3.32Å; N617-V621 PolarHBondContact O-N 3.35Å; N617-C669 WeakPolarHBondContact OD1-CA 3.28Å; N617-C669 WeakPolarHBondContact OD1-CB 3.24Å; N617-P670 WeakPolarHBondContact OD1-CD 3.42Å; N617-P952 HydrophobicContact CB-CB 4.22Å; N617-P952 HydrophobicContact CB-CG 3.99Å |
| 618 | M | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 176 | -173.8 | -167.8 | -168.4 | 0 | 0 | 111.6 | F534 F536 V544 A546 V578 E614 A615 G616 V620 V621 L622 | F534-M618 HydrophobicContact CB-CE 3.37Å; F534-M618 WeakPolarHBondContact O-CE 3.18Å; F536-M618 HydrophobicContact CD1-CE 4.28Å; F536-M618 HydrophobicContact CD1-CG 4.43Å; F536-M618 HydrophobicContact CD1-SD 3.63Å; F536-M618 HydrophobicContact CE1-CB 3.83Å; F536-M618 HydrophobicContact CE1-CG 4.08Å; F536-M618 HydrophobicContact CE1-SD 3.45Å; F536-M618 WeakPolarHBondContact CE1-SD 3.44Å; V544-M618 HydrophobicContact CG1-SD 3.88Å; A546-M618 HydrophobicContact CB-CE 3.59Å; A546-M618 HydrophobicContact CB-SD 4.07Å; V578-M618 HydrophobicContact CG1-SD 4.17Å; E614-M618 PolarHBondContact O-N 2.9Å; E614-M618 VanDerWaalsContact O-N 3.14Å; A615-M618 WeakPolarHBondContact O-CB 3.12Å; A615-M618 PolarHBondContact O-N 3.15Å; G616-M618 VanDerWaalsContact C-N 3.33Å; G616-M618 PolarHBondContact O-N 3.04Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 2.9Å; M618-V621 PolarHBondContact O-N 2.79Å; M618-L622 HydrophobicContact CE-CD1 3.75Å; M618-L622 HydrophobicContact CG-CD1 3.78Å; M618-L622 HydrophobicContact CG-CG 4.34Å; M618-L622 WeakPolarHBondContact O-CB 3.47Å; M618-L622 WeakPolarHBondContact O-CG 3.27Å; M618-L622 PolarHBondContact O-N 3.08Å; M618-L622 HydrophobicContact SD-CD1 4.46Å |
| 619 | A | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A570 V578 A615 G616 | A570-A619 HydrophobicContact CB-CB 4.13Å; V578-A619 HydrophobicContact CG2-CB 3.68Å; A615-A619 PolarHBondContact O-N 3.34Å; G616-A619 PolarHBondContact O-N 3.04Å |
| 620 | V | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.6 | -41.8 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | A570 G616 N617 M618 L622 S623 A625 C669 F671 | A570-V620 HydrophobicContact CB-CG2 3.81Å; G616-V620 WeakPolarHBondContact O-CG2 3.41Å; G616-V620 PolarHBondContact O-N 3.4Å; N617-V620 PolarHBondContact O-N 3.15Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 2.9Å; V620-L622 VanDerWaalsContact C-N 3.33Å; V620-L622 PolarHBondContact O-N 3.27Å; V620-S623 WeakPolarHBondContact O-CB 3.5Å; V620-S623 PolarHBondContact O-N 3.47Å; V620-S623 PolarHBondContact O-OG 3.42Å; V620-A625 HydrophobicContact CG1-CB 3.93Å; V620-C669 HydrophobicContact CB-CB 4.37Å; V620-C669 HydrophobicContact CG2-CB 3.91Å; V620-F671 HydrophobicContact CG1-CD1 4.32Å; V620-F671 HydrophobicContact CG1-CE1 3.82Å |
| 621 | V | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -34.8 | 177.4 | 166.9 | 0 | 0 | 0 | 0 | 112.3 | N617 M618 S623 W626 F671 Y673 P1010 | N617-V621 WeakPolarHBondContact O-CB 3.43Å; N617-V621 VanDerWaalsContact O-CG2 3.26Å; N617-V621 WeakPolarHBondContact O-CG2 3.32Å; N617-V621 PolarHBondContact O-N 3.35Å; M618-V621 PolarHBondContact O-N 2.79Å; V621-S623 PolarHBondContact O-N 3.07Å; V621-W626 HydrophobicContact CB-CE3 4.05Å; V621-W626 HydrophobicContact CB-CZ3 4.4Å; V621-W626 HydrophobicContact CG1-CD2 4.14Å; V621-W626 HydrophobicContact CG1-CE3 3.55Å; V621-W626 HydrophobicContact CG1-CZ3 3.77Å; V621-W626 HydrophobicContact CG2-CE3 3.86Å; V621-W626 HydrophobicContact CG2-CZ3 3.91Å; V621-W626 WeakPolarHBondContact O-CB 3.43Å; V621-F671 HydrophobicContact CG2-CD1 4.47Å; V621-Y673 HydrophobicContact CB-CD2 4.22Å; V621-Y673 HydrophobicContact CB-CG 4.44Å; V621-Y673 HydrophobicContact CG1-CD1 3.85Å; V621-Y673 HydrophobicContact CG1-CD2 3.96Å; V621-Y673 HydrophobicContact CG1-CE1 4.14Å; V621-Y673 HydrophobicContact CG1-CE2 4.27Å; V621-Y673 HydrophobicContact CG1-CG 3.76Å; V621-Y673 HydrophobicContact CG2-CD2 4.04Å; V621-Y673 HydrophobicContact CG2-CG 4.24Å; V621-P1010 HydrophobicContact CG1-CB 3.71Å; V621-P1010 HydrophobicContact CG1-CG 3.92Å |
| 622 | L | 92.8 | Very high | 92 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 33.4 | 176.5 | -62 | 179.3 | 0 | 0 | 0 | 112.6 | F534 A546 S576 M618 V620 P1010 | F534-L622 HydrophobicContact CB-CD1 3.8Å; F534-L622 HydrophobicContact CD1-CD2 4.35Å; F534-L622 HydrophobicContact CD2-CD1 3.51Å; F534-L622 HydrophobicContact CD2-CD2 3.8Å; F534-L622 HydrophobicContact CD2-CG 4.29Å; F534-L622 HydrophobicContact CE1-CD2 4.18Å; F534-L622 HydrophobicContact CE2-CD1 4.14Å; F534-L622 HydrophobicContact CE2-CD2 3.58Å; F534-L622 HydrophobicContact CE2-CG 4.46Å; F534-L622 HydrophobicContact CG-CD1 3.76Å; F534-L622 HydrophobicContact CG-CD2 4.16Å; F534-L622 HydrophobicContact CZ-CD2 3.79Å; A546-L622 HydrophobicContact CB-CD1 3.8Å; S576-L622 PolarHBondContact N-O 3.14Å; S576-L622 VanDerWaalsContact N-O 3.07Å; M618-L622 HydrophobicContact CE-CD1 3.75Å; M618-L622 HydrophobicContact CG-CD1 3.78Å; M618-L622 HydrophobicContact CG-CG 4.34Å; M618-L622 WeakPolarHBondContact O-CB 3.47Å; M618-L622 WeakPolarHBondContact O-CG 3.27Å; M618-L622 PolarHBondContact O-N 3.08Å; M618-L622 HydrophobicContact SD-CD1 4.46Å; V620-L622 VanDerWaalsContact C-N 3.33Å; V620-L622 PolarHBondContact O-N 3.27Å; L622-P1010 HydrophobicContact CD2-CB 3.76Å |
| 623 | S | 92.3 | Very high | 92 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -128.7 | 178.5 | 177.4 | 79.7 | 0 | 0 | 0 | 0 | 111.4 | I572 A575 V620 V621 A625 W626 | I572-S623 VanDerWaalsContact CG2-CB 3.49Å; I572-S623 VanDerWaalsContact CG2-OG 3.3Å; I572-S623 WeakPolarHBondContact CG2-OG 3.22Å; A575-S623 VanDerWaalsContact CA-CB 3.48Å; V620-S623 WeakPolarHBondContact O-CB 3.5Å; V620-S623 PolarHBondContact O-N 3.47Å; V620-S623 PolarHBondContact O-OG 3.42Å; V621-S623 PolarHBondContact O-N 3.07Å; S623-A625 PolarHBondContact O-N 3.45Å; S623-A625 VanDerWaalsContact O-N 3.16Å; S623-A625 WeakPolarHBondContact OG-CB 3.25Å; S623-A625 PolarHBondContact OG-N 3.07Å; S623-A625 VanDerWaalsContact OG-N 3.08Å; S623-W626 PolarHBondContact O-N 3.4Å |
| 624 | S | 91.4 | Very high | 92 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.3 | 171.3 | 58 | 0 | 0 | 0 | 0 | 113 | I572 H573 W626 Q627 S628 | I572-S624 WeakPolarHBondContact CD1-OG 3.44Å; I572-S624 WeakPolarHBondContact CG1-OG 3.48Å; H573-S624 WeakPolarHBondContact O-CB 3.39Å; H573-S624 PolarHBondContact O-OG 3.5Å; S624-W626 PolarHBondContact O-N 3.47Å; S624-Q627 PolarHBondContact O-N 2.82Å; S624-Q627 VanDerWaalsContact O-N 3.12Å; S624-S628 PolarHBondContact O-N 2.9Å; S624-S628 VanDerWaalsContact O-N 3.08Å; S624-S628 PolarHBondContact O-OG 3.44Å |
| 625 | A | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.2 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I572 V620 S623 Q627 S628 H629 V630 F671 | I572-A625 HydrophobicContact CD1-CB 3.82Å; V620-A625 HydrophobicContact CG1-CB 3.93Å; S623-A625 PolarHBondContact O-N 3.45Å; S623-A625 VanDerWaalsContact O-N 3.16Å; S623-A625 WeakPolarHBondContact OG-CB 3.25Å; S623-A625 PolarHBondContact OG-N 3.07Å; S623-A625 VanDerWaalsContact OG-N 3.08Å; A625-Q627 VanDerWaalsContact C-N 3.3Å; A625-Q627 PolarHBondContact O-N 3.07Å; A625-S628 WeakPolarHBondContact CA-OG 3.33Å; A625-S628 PolarHBondContact O-N 2.91Å; A625-S628 PolarHBondContact O-OG 2.89Å; A625-H629 WeakPolarHBondContact O-CA 3.5Å; A625-H629 PolarHBondContact O-N 3.4Å; A625-V630 WeakPolarHBondContact CB-O 3.31Å; A625-V630 PolarHBondContact O-N 3.48Å; A625-F671 HydrophobicContact CB-CE1 3.84Å; A625-F671 HydrophobicContact CB-CZ 4.03Å; A625-F671 WeakPolarHBondContact O-CE1 3.07Å; A625-F671 WeakPolarHBondContact O-CZ 3.39Å |
| 626 | W | 91.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 179.5 | 179.1 | -96.1 | 0 | 0 | 0 | 112.8 | V621 S623 S624 F671 L965 N966 P967 P1010 C1012 V1013 | V621-W626 HydrophobicContact CB-CE3 4.05Å; V621-W626 HydrophobicContact CB-CZ3 4.4Å; V621-W626 HydrophobicContact CG1-CD2 4.14Å; V621-W626 HydrophobicContact CG1-CE3 3.55Å; V621-W626 HydrophobicContact CG1-CZ3 3.77Å; V621-W626 HydrophobicContact CG2-CE3 3.86Å; V621-W626 HydrophobicContact CG2-CZ3 3.91Å; V621-W626 WeakPolarHBondContact O-CB 3.43Å; S623-W626 PolarHBondContact O-N 3.4Å; S624-W626 PolarHBondContact O-N 3.47Å; W626-F671 HydrophobicContact CE3-CD1 4.12Å; W626-F671 HydrophobicContact CZ3-CB 4.31Å; W626-L965 HydrophobicContact CH2-CB 4.36Å; W626-N966 VanDerWaalsContact CZ2-C 3.45Å; W626-P967 HydrophobicContact CD2-CB 4.21Å; W626-P967 HydrophobicContact CD2-CG 3.82Å; W626-P967 HydrophobicContact CE3-CG 3.87Å; W626-P967 HydrophobicContact CG-CG 4.45Å; W626-P967 HydrophobicContact CH2-CG 4.05Å; W626-P967 HydrophobicContact CZ2-CB 4.16Å; W626-P967 HydrophobicContact CZ2-CG 3.96Å; W626-P967 VanDerWaalsContact CZ2-N 3.35Å; W626-P967 HydrophobicContact CZ3-CG 4.01Å; W626-P967 VanDerWaalsContact O-CB 3.3Å; W626-P967 WeakPolarHBondContact O-CB 3.3Å; W626-P967 WeakPolarHBondContact O-CG 3.37Å; W626-P1010 HydrophobicContact CH2-CG 4.45Å; W626-P1010 HydrophobicContact CZ2-CG 4.04Å; W626-C1012 PolarHBondContact NE1-O 3.04Å; W626-C1012 VanDerWaalsContact NE1-O 3.1Å; W626-V1013 HydrophobicContact CZ2-CG1 3.91Å |
| 627 | Q | 88.1 | Confident | 92 | Very high | 157 Ų | 157 | 38 Ų | 38 | 73% | 0.734 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -86.7 | -34.4 | 179.7 | -63.3 | -177.8 | 10.1 | 0 | 0 | 111.9 | S624 A625 | S624-Q627 PolarHBondContact O-N 2.82Å; S624-Q627 VanDerWaalsContact O-N 3.12Å; A625-Q627 VanDerWaalsContact C-N 3.3Å; A625-Q627 PolarHBondContact O-N 3.07Å |
| 628 | S | 88.6 | Confident | 92 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -83.4 | -10.1 | -179.9 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | S624 A625 V630 | S624-S628 PolarHBondContact O-N 2.9Å; S624-S628 VanDerWaalsContact O-N 3.08Å; S624-S628 PolarHBondContact O-OG 3.44Å; A625-S628 WeakPolarHBondContact CA-OG 3.33Å; A625-S628 PolarHBondContact O-N 2.91Å; A625-S628 PolarHBondContact O-OG 2.89Å; S628-V630 PolarHBondContact O-N 2.88Å; S628-V630 WeakPolarHBondContact OG-CG2 3.43Å |
| 629 | H | 87.4 | Confident | 91.8 | Very high | 120 Ų | 120 | 43.3 Ų | 43.3 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 26.9 | -174.4 | -66.3 | -92.5 | 0 | 0 | 0 | 114.1 | A625 P967 | A625-H629 WeakPolarHBondContact O-CA 3.5Å; A625-H629 PolarHBondContact O-N 3.4Å; H629-P967 VanDerWaalsContact CE1-CB 3.42Å; H629-P967 WeakPolarHBondContact CE1-CB 3.5Å |
| 630 | V | 88.1 | Confident | 91.6 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | trans | -91.2 | 116.2 | -179.1 | 177 | 0 | 0 | 0 | 0 | 110.9 | A625 S628 T632 F671 | A625-V630 WeakPolarHBondContact CB-O 3.31Å; A625-V630 PolarHBondContact O-N 3.48Å; S628-V630 PolarHBondContact O-N 2.88Å; S628-V630 WeakPolarHBondContact OG-CG2 3.43Å; V630-T632 PolarHBondContact O-N 2.89Å; V630-T632 PolarHBondContact O-OG1 3.45Å; V630-F671 WeakPolarHBondContact O-CZ 3.4Å | ||
| 631 | L | 88.3 | Confident | 91.5 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | trans | -69.5 | 125 | 174.8 | -164.4 | 75.6 | 0 | 0 | 0 | 109.9 | P668 C669 | L631-P668 HydrophobicContact CD2-CB 3.85Å; L631-P668 HydrophobicContact CG-CB 4.22Å; L631-C669 WeakPolarHBondContact CD1-O 3.4Å | ||
| 632 | T | 90.6 | Very high | 91.4 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | trans | -133.1 | 158.5 | -177.9 | -47.5 | 0 | 0 | 0 | 0 | 111 | D571 I572 V630 C669 | D571-T632 HydrophobicContact CB-CG2 4.07Å; D571-T632 WeakPolarHBondContact O-CG2 3.4Å; I572-T632 HydrophobicContact CB-CG2 4.31Å; V630-T632 PolarHBondContact O-N 2.89Å; V630-T632 PolarHBondContact O-OG1 3.45Å; T632-C669 PolarHBondContact O-N 3.21Å | ||
| 633 | R | 93.2 | Very high | 91.3 | Very high | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 152.1 | 174.4 | -58.5 | 179.7 | 75.8 | 168.3 | 3 | 110.1 | D571 L666 P668 | D571-R633 PolarHBondContact N-O 3.05Å; R633-L666 PolarHBondContact NE-O 2.9Å; R633-L666 PolarHBondContact NH2-O 3.33Å; R633-P668 HydrophobicContact CG-CG 4.12Å |
| 634 | A | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 160 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | H569 L666 | H569-A634 CarbonylContact O-C 3.6Å; H569-A634 WeakPolarHBondContact O-CA 3.45Å; A634-L666 HydrophobicContact CB-CD1 4.17Å; A634-L666 WeakPolarHBondContact O-CB 3.45Å; A634-L666 PolarHBondContact O-N 3.4Å |
| 635 | W | 95.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.7 | 173.4 | 51.4 | -97.6 | 0 | 0 | 0 | 110.1 | F567 V568 H569 V637 I659 K663 N664 Y665 | F567-W635 HydrophobicContact CD1-CH2 4.38Å; F567-W635 AromaticContact CD1-CZ3 3.96Å; F567-W635 HydrophobicContact CD1-CZ3 3.96Å; F567-W635 AromaticContact CE1-CH2 3.78Å; F567-W635 HydrophobicContact CE1-CH2 3.78Å; F567-W635 AromaticContact CE1-CZ3 3.83Å; F567-W635 HydrophobicContact CE1-CZ3 3.83Å; V568-W635 WeakPolarHBondContact CA-O 3.23Å; H569-W635 HydrophobicContact CB-CD2 4.37Å; H569-W635 HydrophobicContact CB-CE3 4.42Å; H569-W635 HydrophobicContact CB-CH2 3.57Å; H569-W635 HydrophobicContact CB-CZ2 3.55Å; H569-W635 HydrophobicContact CB-CZ3 4.05Å; H569-W635 AromaticContact CG-CZ2 3.84Å; H569-W635 PolarHBondContact N-O 2.77Å; H569-W635 AromaticContact ND1-CZ2 3.78Å; H569-W635 PolarHBondContact O-N 3.25Å; W635-V637 HydrophobicContact CE3-CG1 4.2Å; W635-V637 HydrophobicContact CZ3-CG1 4.26Å; W635-V637 HydrophobicContact CZ3-CG2 4.18Å; W635-I659 HydrophobicContact CH2-CD1 3.99Å; W635-I659 HydrophobicContact CH2-CG1 3.53Å; W635-I659 HydrophobicContact CZ3-CD1 4.11Å; W635-I659 HydrophobicContact CZ3-CG1 3.84Å; W635-I659 HydrophobicContact CZ3-CG2 4.3Å; W635-K663 HydrophobicContact CB-CB 4.37Å; W635-K663 HydrophobicContact CD2-CD 3.93Å; W635-K663 HydrophobicContact CD2-CG 4.36Å; W635-K663 HydrophobicContact CE3-CD 4.16Å; W635-K663 HydrophobicContact CE3-CG 4.17Å; W635-K663 HydrophobicContact CG-CD 4.24Å; W635-N664 CarbonylContact C-O 3.58Å; W635-N664 WeakPolarHBondContact CA-O 3.16Å; W635-N664 WeakPolarHBondContact CB-O 3.45Å; W635-Y665 HydrophobicContact CB-CD1 3.96Å; W635-Y665 HydrophobicContact CB-CE1 4.19Å; W635-Y665 HydrophobicContact CB-CG 4.25Å; W635-Y665 AromaticContact CD1-CE1 3.89Å; W635-Y665 HydrophobicContact CG-CE1 4.34Å |
| 636 | W | 95 | Very high | 90.4 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.7 | 178.2 | 66.3 | -93.1 | 0 | 0 | 0 | 112 | L566 F567 V568 L606 L612 H638 N664 | L566-W636 HydrophobicContact CD1-CE3 4.09Å; L566-W636 HydrophobicContact CD1-CZ3 4.39Å; L566-W636 HydrophobicContact CD2-CE3 3.98Å; L566-W636 HydrophobicContact CD2-CZ3 4.02Å; F567-W636 CarbonylContact O-C 3.58Å; F567-W636 WeakPolarHBondContact O-CA 3.29Å; F567-W636 WeakPolarHBondContact O-CB 3.5Å; V568-W636 HydrophobicContact CB-CB 4.46Å; V568-W636 HydrophobicContact CG2-CB 3.85Å; L606-W636 HydrophobicContact CD1-CH2 4.07Å; L606-W636 HydrophobicContact CD1-CZ3 4.19Å; L606-W636 HydrophobicContact CD2-CH2 4.15Å; L606-W636 HydrophobicContact CD2-CZ2 4.44Å; L612-W636 HydrophobicContact CD2-CD2 4.37Å; L612-W636 HydrophobicContact CD2-CG 4.12Å; W636-H638 AromaticContact CZ3-NE2 3.68Å; W636-N664 HydrophobicContact CD2-CB 3.71Å; W636-N664 HydrophobicContact CE3-CB 4.29Å; W636-N664 HydrophobicContact CG-CB 4.11Å; W636-N664 HydrophobicContact CH2-CB 4.18Å; W636-N664 WeakPolarHBondContact CH2-ND2 3.27Å; W636-N664 HydrophobicContact CZ2-CB 3.56Å; W636-N664 WeakPolarHBondContact CZ2-ND2 3.47Å; W636-N664 WeakPolarHBondContact CZ3-ND2 3.28Å; W636-N664 PolarHBondContact N-O 2.95Å; W636-N664 PolarHBondContact O-N 3.33Å |
| 637 | V | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 162.4 | 178 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | F567 W635 Q641 V642 I659 K663 | F567-V637 HydrophobicContact CB-CG2 3.89Å; F567-V637 HydrophobicContact CD1-CG2 3.84Å; F567-V637 HydrophobicContact CG-CG2 4.2Å; F567-V637 PolarHBondContact N-O 3.4Å; F567-V637 PolarHBondContact O-N 2.82Å; W635-V637 HydrophobicContact CE3-CG1 4.2Å; W635-V637 HydrophobicContact CZ3-CG1 4.26Å; W635-V637 HydrophobicContact CZ3-CG2 4.18Å; V637-Q641 HydrophobicContact CB-CB 3.98Å; V637-Q641 HydrophobicContact CG2-CB 4.27Å; V637-V642 HydrophobicContact CG2-CG2 3.84Å; V637-I659 HydrophobicContact CB-CG2 4.28Å; V637-I659 HydrophobicContact CG1-CG2 3.62Å; V637-I659 HydrophobicContact CG2-CD1 4.24Å; V637-I659 HydrophobicContact CG2-CG2 4.01Å; V637-K663 HydrophobicContact CG1-CG 4.18Å |
| 638 | H | 92.5 | Very high | 89.9 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 163.1 | 174.7 | -69.7 | -83.7 | 0 | 0 | 0 | 112.1 | W636 D640 Q641 | W636-H638 AromaticContact CZ3-NE2 3.68Å; H638-D640 VanDerWaalsContact C-N 3.28Å; H638-D640 WeakPolarHBondContact CB-OD1 3.27Å; H638-D640 PolarHBondContact O-N 3.1Å; H638-Q641 HydrophobicContact CB-CG 4.47Å; H638-Q641 WeakPolarHBondContact O-CB 3.48Å; H638-Q641 PolarHBondContact O-N 2.66Å |
| 639 | H | 90.7 | Very high | 89.6 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -58.9 | -34.8 | -176.9 | 72.2 | 91.4 | 0 | 0 | 0 | 114.3 | L561 P563 G564 D565 Q641 V642 | L561-H639 HydrophobicContact CD1-CB 4.14Å; L561-H639 HydrophobicContact CD2-CB 4.19Å; L561-H639 HydrophobicContact CG-CB 3.89Å; P563-H639 WeakPolarHBondContact CA-NE2 3.38Å; G564-H639 PolarHBondContact N-CD2 3.12Å; G564-H639 VanDerWaalsContact N-CD2 3.34Å; D565-H639 PolarHBondContact O-N 2.73Å; H639-Q641 VanDerWaalsContact C-N 3.26Å; H639-Q641 PolarHBondContact O-N 2.86Å; H639-V642 PolarHBondContact O-N 2.71Å |
| 640 | D | 90.7 | Very high | 89.6 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -71.1 | -22.8 | -178.5 | 62.5 | -34.6 | 0 | 0 | 0 | 112.6 | H638 V642 | H638-D640 VanDerWaalsContact C-N 3.28Å; H638-D640 WeakPolarHBondContact CB-OD1 3.27Å; H638-D640 PolarHBondContact O-N 3.1Å; D640-V642 VanDerWaalsContact C-N 3.3Å; D640-V642 PolarHBondContact O-N 3.12Å |
| 641 | Q | 91.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 69 Ų | 69 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -79.7 | -9.6 | 177.7 | -63.6 | -173.5 | -86.7 | 0 | 0 | 113.2 | V637 H638 H639 I659 R660 K662 | V637-Q641 HydrophobicContact CB-CB 3.98Å; V637-Q641 HydrophobicContact CG2-CB 4.27Å; H638-Q641 HydrophobicContact CB-CG 4.47Å; H638-Q641 WeakPolarHBondContact O-CB 3.48Å; H638-Q641 PolarHBondContact O-N 2.66Å; H639-Q641 VanDerWaalsContact C-N 3.26Å; H639-Q641 PolarHBondContact O-N 2.86Å; Q641-I659 CarbonylContact O-C 3.58Å; Q641-I659 WeakPolarHBondContact O-CA 3.41Å; Q641-R660 WeakPolarHBondContact CB-O 3.31Å; Q641-R660 VanDerWaalsContact CG-O 3.29Å; Q641-R660 WeakPolarHBondContact CG-O 3.29Å; Q641-R660 PolarHBondContact NE2-O 3.2Å; Q641-R660 PolarHBondContact O-N 2.95Å; Q641-K662 PolarHBondContact NE2-O 3.47Å; Q641-K662 VanDerWaalsContact NE2-O 3.1Å |
| 642 | V | 91.7 | Very high | 89.2 | Confident | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.2 | -175.6 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | V557 L561 F567 V637 H639 D640 F657 I659 | V557-V642 HydrophobicContact CG1-CG1 4.04Å; L561-V642 HydrophobicContact CD2-CB 4.15Å; L561-V642 HydrophobicContact CD2-CG1 4.47Å; L561-V642 HydrophobicContact CD2-CG2 4.27Å; F567-V642 HydrophobicContact CB-CG2 3.69Å; F567-V642 HydrophobicContact CD1-CG2 4.21Å; F567-V642 HydrophobicContact CD2-CG1 4.03Å; F567-V642 HydrophobicContact CD2-CG2 3.72Å; F567-V642 HydrophobicContact CE2-CG1 3.94Å; F567-V642 HydrophobicContact CE2-CG2 4.32Å; F567-V642 HydrophobicContact CG-CG2 3.64Å; V637-V642 HydrophobicContact CG2-CG2 3.84Å; H639-V642 PolarHBondContact O-N 2.71Å; D640-V642 VanDerWaalsContact C-N 3.3Å; D640-V642 PolarHBondContact O-N 3.12Å; V642-F657 HydrophobicContact CG1-CB 3.8Å; V642-F657 HydrophobicContact CG1-CD1 4.22Å; V642-F657 HydrophobicContact CG1-CG 4.05Å; V642-I659 HydrophobicContact CB-CD1 4.45Å; V642-I659 HydrophobicContact CG1-CD1 4.26Å; V642-I659 HydrophobicContact CG2-CD1 4.01Å |
| 643 | S | 90 | Very high | 88.9 | Confident | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.7 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | T645 M658 | S643-T645 VanDerWaalsContact C-N 3.34Å; S643-T645 PolarHBondContact OG-N 3.38Å; S643-T645 PolarHBondContact OG-O 2.82Å; S643-M658 PolarHBondContact N-O 2.82Å; S643-M658 PolarHBondContact O-N 3.02Å |
| 644 | K | 86 | Confident | 88.5 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 53% | 0.53 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -82 | -15.3 | 169.1 | -166.7 | 175.3 | -176.2 | 176.3 | 0 | 112.5 | E554 L652 | E554-K644 IonicContact OE2-NZ 2.8Å; E554-K644 PolarHBondContact OE2-NZ 3.42Å; K644-L652 WeakPolarHBondContact O-CD1 3Å |
| 645 | T | 86 | Confident | 87.9 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -83.4 | 120 | 180 | -47.7 | 0 | 0 | 0 | 0 | 109.6 | S643 | S643-T645 VanDerWaalsContact C-N 3.34Å; S643-T645 PolarHBondContact OG-N 3.38Å; S643-T645 PolarHBondContact OG-O 2.82Å |
| 646 | A | 84.9 | Confident | 87.4 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E650 L652 | A646-E650 HydrophobicContact CB-CB 4.41Å; A646-E650 WeakPolarHBondContact CB-O 3.09Å; A646-L652 HydrophobicContact CB-CD1 4.11Å; A646-L652 HydrophobicContact CB-CG 3.85Å |
| 647 | P | 85.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 149.7 | 163.8 | -21.2 | 33.6 | 0 | 0 | 0 | 111.3 | G649 E650 M658 | P647-G649 PolarHBondContact O-N 3.12Å; P647-G649 VanDerWaalsContact O-N 3.16Å; P647-E650 PolarHBondContact O-N 2.89Å; P647-M658 HydrophobicContact CG-CE 4.4Å; P647-M658 HydrophobicContact CG-CG 4.45Å; P647-M658 HydrophobicContact CG-SD 4.05Å |
| 648 | S | 82.5 | Confident | 87 | Confident | 133 Ų | 133 | 73.7 Ų | 73.7 | 93% | 0.93 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 121.1 | -179.4 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 649 | G | 84.2 | Confident | 87 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 83% | 0.825 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -10.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P647 | P647-G649 PolarHBondContact O-N 3.12Å; P647-G649 VanDerWaalsContact O-N 3.16Å |
| 650 | E | 85.7 | Confident | 86.9 | Confident | 129 Ų | 129 | 75.4 Ų | 75.4 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | trans | -107.2 | 155.4 | 176.3 | -66.1 | -177.8 | 176.2 | 0 | 0 | 111.5 | A646 P647 | A646-E650 HydrophobicContact CB-CB 4.41Å; A646-E650 WeakPolarHBondContact CB-O 3.09Å; P647-E650 PolarHBondContact O-N 2.89Å | ||
| 651 | Y | 84.5 | Confident | 86.8 | Confident | 223 Ų | 223 | 73.3 Ų | 73.3 | 88% | 0.875 | 43% | 0.427 | S | S | * | . | trans | -117.8 | 133.1 | 172.9 | -61.4 | -87.7 | 0 | 0 | 0 | 109.2 | ||||
| 652 | L | 83.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 80 Ų | 80 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 138.6 | 171.9 | -71 | 167.3 | 0 | 0 | 0 | 109.8 | K644 A646 A656 M658 | K644-L652 WeakPolarHBondContact O-CD1 3Å; A646-L652 HydrophobicContact CB-CD1 4.11Å; A646-L652 HydrophobicContact CB-CG 3.85Å; L652-A656 HydrophobicContact CB-CB 4.45Å; L652-A656 HydrophobicContact CD2-CB 4.27Å; L652-M658 HydrophobicContact CD1-CB 4.12Å |
| 653 | T | 85.2 | Confident | 86.9 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 64% | 0.638 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 155.9 | 171 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | G655 A656 | T653-G655 PolarHBondContact O-N 3.12Å; T653-A656 WeakPolarHBondContact O-CB 3.21Å; T653-A656 PolarHBondContact O-N 3.15Å; T653-A656 WeakPolarHBondContact OG1-CB 3.27Å |
| 654 | S | 84 | Confident | 87.1 | Confident | 85 Ų | 85 | 83.8 Ų | 83.8 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130 | 176.8 | -59 | 0 | 0 | 0 | 0 | 110.7 | S550 E554 A656 | S550-S654 VanDerWaalsContact CB-O 3.22Å; S550-S654 WeakPolarHBondContact CB-O 3.43Å; E554-S654 WeakPolarHBondContact OE1-CA 3.41Å; E554-S654 WeakPolarHBondContact OE1-CB 3.09Å; S654-A656 VanDerWaalsContact C-N 3.33Å |
| 655 | G | 81.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 11% | 0.113 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 0.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S550 E554 T653 F657 | S550-G655 WeakPolarHBondContact O-CA 3.13Å; E554-G655 PolarHBondContact OE1-N 2.9Å; T653-G655 PolarHBondContact O-N 3.12Å; G655-F657 VanDerWaalsContact O-CE2 3.27Å; G655-F657 WeakPolarHBondContact O-CE2 3.16Å |
| 656 | A | 86.3 | Confident | 87.7 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | trans | -91.3 | 146.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L652 T653 S654 | L652-A656 HydrophobicContact CB-CB 4.45Å; L652-A656 HydrophobicContact CD2-CB 4.27Å; T653-A656 WeakPolarHBondContact O-CB 3.21Å; T653-A656 PolarHBondContact O-N 3.15Å; T653-A656 WeakPolarHBondContact OG1-CB 3.27Å; S654-A656 VanDerWaalsContact C-N 3.33Å | ||
| 657 | F | 90.5 | Very high | 88 | Confident | 28 Ų | 28 | 82 Ų | 82 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | trans | -129.9 | 139.5 | -179.4 | -55.4 | -81.6 | 0 | 0 | 0 | 110.2 | N553 E554 V557 F567 T577 V642 G655 I659 | N553-F657 HydrophobicContact CB-CE2 4.33Å; E554-F657 HydrophobicContact CG-CZ 4.45Å; V557-F657 HydrophobicContact CB-CD1 4.32Å; V557-F657 HydrophobicContact CB-CE1 3.56Å; V557-F657 HydrophobicContact CB-CE2 4.37Å; V557-F657 HydrophobicContact CB-CZ 3.59Å; V557-F657 HydrophobicContact CG1-CD1 3.99Å; V557-F657 HydrophobicContact CG1-CE1 3.65Å; V557-F657 HydrophobicContact CG1-CZ 4.18Å; V557-F657 HydrophobicContact CG2-CD1 4.29Å; V557-F657 HydrophobicContact CG2-CD2 4.21Å; V557-F657 HydrophobicContact CG2-CE1 3.71Å; V557-F657 HydrophobicContact CG2-CE2 3.62Å; V557-F657 HydrophobicContact CG2-CZ 3.34Å; F567-F657 AromaticContact CE2-CD2 3.97Å; F567-F657 HydrophobicContact CE2-CD2 3.97Å; F567-F657 HydrophobicContact CE2-CE2 4.47Å; F567-F657 HydrophobicContact CE2-CG 4.44Å; F567-F657 HydrophobicContact CZ-CD2 4.04Å; T577-F657 HydrophobicContact CG2-CE2 4.27Å; T577-F657 WeakPolarHBondContact OG1-CE2 3.4Å; V642-F657 HydrophobicContact CG1-CB 3.8Å; V642-F657 HydrophobicContact CG1-CD1 4.22Å; V642-F657 HydrophobicContact CG1-CG 4.05Å; G655-F657 VanDerWaalsContact O-CE2 3.27Å; G655-F657 WeakPolarHBondContact O-CE2 3.16Å; F657-I659 HydrophobicContact CB-CD1 4.47Å | ||
| 658 | M | 89.5 | Confident | 88.2 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 31% | 0.31 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.4 | 171.8 | -174.3 | 62 | -156.6 | 0 | 0 | 109.4 | S643 P647 L652 | S643-M658 PolarHBondContact N-O 2.82Å; S643-M658 PolarHBondContact O-N 3.02Å; P647-M658 HydrophobicContact CG-CE 4.4Å; P647-M658 HydrophobicContact CG-CG 4.45Å; P647-M658 HydrophobicContact CG-SD 4.05Å; L652-M658 HydrophobicContact CD1-CB 4.12Å |
| 659 | I | 91.7 | Very high | 88.5 | Confident | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.097 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.9 | 179.4 | -52.7 | -58.5 | 0 | 0 | 0 | 109.2 | F567 W635 V637 Q641 V642 F657 K663 | F567-I659 HydrophobicContact CD1-CD1 4.28Å; F567-I659 HydrophobicContact CE1-CD1 3.9Å; F567-I659 HydrophobicContact CZ-CD1 4.26Å; W635-I659 HydrophobicContact CH2-CD1 3.99Å; W635-I659 HydrophobicContact CH2-CG1 3.53Å; W635-I659 HydrophobicContact CZ3-CD1 4.11Å; W635-I659 HydrophobicContact CZ3-CG1 3.84Å; W635-I659 HydrophobicContact CZ3-CG2 4.3Å; V637-I659 HydrophobicContact CB-CG2 4.28Å; V637-I659 HydrophobicContact CG1-CG2 3.62Å; V637-I659 HydrophobicContact CG2-CD1 4.24Å; V637-I659 HydrophobicContact CG2-CG2 4.01Å; Q641-I659 CarbonylContact O-C 3.58Å; Q641-I659 WeakPolarHBondContact O-CA 3.41Å; V642-I659 HydrophobicContact CB-CD1 4.45Å; V642-I659 HydrophobicContact CG1-CD1 4.26Å; V642-I659 HydrophobicContact CG2-CD1 4.01Å; F657-I659 HydrophobicContact CB-CD1 4.47Å; I659-K663 HydrophobicContact CG2-CG 4.22Å |
| 660 | R | 89.4 | Confident | 88.7 | Confident | 143 Ų | 143 | 75.8 Ų | 75.8 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 140.5 | 179.5 | -62.3 | -177.8 | 179.5 | -177.9 | -0 | 110.2 | Q641 | Q641-R660 WeakPolarHBondContact CB-O 3.31Å; Q641-R660 VanDerWaalsContact CG-O 3.29Å; Q641-R660 WeakPolarHBondContact CG-O 3.29Å; Q641-R660 PolarHBondContact NE2-O 3.2Å; Q641-R660 PolarHBondContact O-N 2.95Å |
| 661 | G | 89.2 | Confident | 88.7 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 85.2 | -163.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 662 | K | 91.8 | Very high | 88.9 | Confident | 166 Ų | 166 | 63.8 Ų | 63.8 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | trans | -78.4 | 129.9 | -172.1 | -171.4 | 177.3 | 178.9 | -178.2 | 0 | 111.1 | Q641 | Q641-K662 PolarHBondContact NE2-O 3.47Å; Q641-K662 VanDerWaalsContact NE2-O 3.1Å | ||
| 663 | K | 93.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -86.6 | 134.8 | 170.4 | -66.5 | 179.2 | -180 | 178.7 | 0 | 110.1 | W635 V637 I659 Y665 | W635-K663 HydrophobicContact CB-CB 4.37Å; W635-K663 HydrophobicContact CD2-CD 3.93Å; W635-K663 HydrophobicContact CD2-CG 4.36Å; W635-K663 HydrophobicContact CE3-CD 4.16Å; W635-K663 HydrophobicContact CE3-CG 4.17Å; W635-K663 HydrophobicContact CG-CD 4.24Å; V637-K663 HydrophobicContact CG1-CG 4.18Å; I659-K663 HydrophobicContact CG2-CG 4.22Å; K663-Y665 HydrophobicContact CB-CD2 4.47Å; K663-Y665 HydrophobicContact CB-CE2 3.97Å | ||
| 664 | N | 93.8 | Very high | 89.8 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 107.1 | 176.3 | -62.9 | -49.7 | 0 | 0 | 0 | 109.8 | W635 W636 | W635-N664 CarbonylContact C-O 3.58Å; W635-N664 WeakPolarHBondContact CA-O 3.16Å; W635-N664 WeakPolarHBondContact CB-O 3.45Å; W636-N664 HydrophobicContact CD2-CB 3.71Å; W636-N664 HydrophobicContact CE3-CB 4.29Å; W636-N664 HydrophobicContact CG-CB 4.11Å; W636-N664 HydrophobicContact CH2-CB 4.18Å; W636-N664 WeakPolarHBondContact CH2-ND2 3.27Å; W636-N664 HydrophobicContact CZ2-CB 3.56Å; W636-N664 WeakPolarHBondContact CZ2-ND2 3.47Å; W636-N664 WeakPolarHBondContact CZ3-ND2 3.28Å; W636-N664 PolarHBondContact N-O 2.95Å; W636-N664 PolarHBondContact O-N 3.33Å |
| 665 | Y | 93.4 | Very high | 90.3 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.7 | -176.5 | -72.3 | -92.2 | 0 | 0 | 0 | 112.2 | W635 K663 | W635-Y665 HydrophobicContact CB-CD1 3.96Å; W635-Y665 HydrophobicContact CB-CE1 4.19Å; W635-Y665 HydrophobicContact CB-CG 4.25Å; W635-Y665 AromaticContact CD1-CE1 3.89Å; W635-Y665 HydrophobicContact CG-CE1 4.34Å; K663-Y665 HydrophobicContact CB-CD2 4.47Å; K663-Y665 HydrophobicContact CB-CE2 3.97Å |
| 666 | L | 91.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 161.3 | 172.3 | -62.3 | 172.7 | 0 | 0 | 0 | 110.8 | L612 R633 A634 | L612-L666 HydrophobicContact CB-CD1 4.5Å; L612-L666 HydrophobicContact CB-CD2 3.99Å; L612-L666 VanDerWaalsContact O-CD1 3.27Å; L612-L666 WeakPolarHBondContact O-CD1 3.47Å; R633-L666 PolarHBondContact NE-O 2.9Å; R633-L666 PolarHBondContact NH2-O 3.33Å; A634-L666 HydrophobicContact CB-CD1 4.17Å; A634-L666 WeakPolarHBondContact O-CB 3.45Å; A634-L666 PolarHBondContact O-N 3.4Å |
| 667 | P | 90.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 158.6 | 166 | -22.9 | 34.5 | 0 | 0 | 0 | 111.6 | C669 | P667-C669 PolarHBondContact O-N 3.47Å; P667-C669 PolarHBondContact O-SG 3.11Å |
| 668 | P | 89.8 | Confident | 91.4 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 126.4 | 174 | -25.2 | 34.3 | 0 | 0 | 0 | 112.2 | L631 R633 | L631-P668 HydrophobicContact CD2-CB 3.85Å; L631-P668 HydrophobicContact CG-CB 4.22Å; R633-P668 HydrophobicContact CG-CG 4.12Å |
| 669 | C | 87.7 | Confident | 91.5 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -95.1 | 119.3 | -171.2 | -71 | 0 | 0 | 0 | 0 | 110.9 | N617 V620 L631 T632 P667 | N617-C669 WeakPolarHBondContact OD1-CA 3.28Å; N617-C669 WeakPolarHBondContact OD1-CB 3.24Å; V620-C669 HydrophobicContact CB-CB 4.37Å; V620-C669 HydrophobicContact CG2-CB 3.91Å; L631-C669 WeakPolarHBondContact CD1-O 3.4Å; T632-C669 PolarHBondContact O-N 3.21Å; P667-C669 PolarHBondContact O-N 3.47Å; P667-C669 PolarHBondContact O-SG 3.11Å |
| 670 | P | 88.9 | Confident | 91.4 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 158 | 179.4 | 29.4 | -36.1 | 0 | 0 | 0 | 113 | N617 D672 | N617-P670 WeakPolarHBondContact OD1-CD 3.42Å; P670-D672 PolarHBondContact O-N 3.03Å |
| 671 | F | 86.6 | Confident | 91.4 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | trans | -75.4 | 25.2 | 175.9 | -62.9 | -67 | 0 | 0 | 0 | 114.6 | V620 V621 A625 W626 V630 Y673 | V620-F671 HydrophobicContact CG1-CD1 4.32Å; V620-F671 HydrophobicContact CG1-CE1 3.82Å; V621-F671 HydrophobicContact CG2-CD1 4.47Å; A625-F671 HydrophobicContact CB-CE1 3.84Å; A625-F671 HydrophobicContact CB-CZ 4.03Å; A625-F671 WeakPolarHBondContact O-CE1 3.07Å; A625-F671 WeakPolarHBondContact O-CZ 3.39Å; W626-F671 HydrophobicContact CE3-CD1 4.12Å; W626-F671 HydrophobicContact CZ3-CB 4.31Å; V630-F671 WeakPolarHBondContact O-CZ 3.4Å; F671-Y673 PolarHBondContact O-N 2.89Å | ||
| 672 | D | 88.6 | Confident | 91.3 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | trans | -77.3 | 90.6 | -176.7 | -80.8 | -30.9 | 0 | 0 | 0 | 110.9 | P670 P952 Y953 K964 | P670-D672 PolarHBondContact O-N 3.03Å; D672-P952 CarbonylContact O-C 3.31Å; D672-P952 VanDerWaalsContact O-CA 3.3Å; D672-P952 WeakPolarHBondContact O-CA 3.44Å; D672-Y953 PolarHBondContact O-N 2.94Å; D672-K964 WeakPolarHBondContact OD1-CE 3.35Å; D672-K964 IonicContact OD1-NZ 2.99Å; D672-K964 PolarHBondContact OD1-NZ 2.76Å | ||
| 673 | Y | 93.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 160.2 | 178.7 | -145.6 | -121 | 0 | 0 | 0 | 111.5 | V621 F671 C950 A951 P952 L965 P1010 | V621-Y673 HydrophobicContact CB-CD2 4.22Å; V621-Y673 HydrophobicContact CB-CG 4.44Å; V621-Y673 HydrophobicContact CG1-CD1 3.85Å; V621-Y673 HydrophobicContact CG1-CD2 3.96Å; V621-Y673 HydrophobicContact CG1-CE1 4.14Å; V621-Y673 HydrophobicContact CG1-CE2 4.27Å; V621-Y673 HydrophobicContact CG1-CG 3.76Å; V621-Y673 HydrophobicContact CG2-CD2 4.04Å; V621-Y673 HydrophobicContact CG2-CG 4.24Å; F671-Y673 PolarHBondContact O-N 2.89Å; Y673-C950 HydrophobicContact CD1-CB 4.43Å; Y673-C950 HydrophobicContact CE1-CB 3.58Å; Y673-C950 PolarHBondContact OH-O 3.04Å; Y673-C950 VanDerWaalsContact OH-O 3.06Å; Y673-A951 VanDerWaalsContact CD2-C 3.42Å; Y673-A951 WeakPolarHBondContact CD2-O 3.46Å; Y673-P952 HydrophobicContact CE2-CG 4.42Å; Y673-L965 HydrophobicContact CD1-CD1 4.11Å; Y673-L965 PolarHBondContact O-N 3.11Å; Y673-P1010 HydrophobicContact CD1-CG 4.01Å; Y673-P1010 HydrophobicContact CE1-CG 4.18Å |
| 674 | G | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C950 A951 L956 V963 | G674-C950 VanDerWaalsContact O-CA 3.26Å; G674-C950 WeakPolarHBondContact O-CA 3.43Å; G674-A951 PolarHBondContact N-O 2.85Å; G674-A951 PolarHBondContact O-N 2.87Å; G674-A951 VanDerWaalsContact O-N 3.11Å; G674-L956 WeakPolarHBondContact O-CD1 3.35Å; G674-V963 CarbonylContact C-O 3.14Å; G674-V963 VanDerWaalsContact CA-O 3.22Å; G674-V963 WeakPolarHBondContact CA-O 3.34Å |
| 675 | F | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.5 | 172.4 | 171.5 | -114.2 | 0 | 0 | 0 | 109.1 | P948 R962 V963 L965 A979 L980 F983 V1005 F1009 | F675-P948 HydrophobicContact CE2-CB 3.73Å; F675-P948 HydrophobicContact CZ-CB 4.21Å; F675-R962 CarbonylContact O-C 3.59Å; F675-R962 VanDerWaalsContact O-CA 3.3Å; F675-R962 WeakPolarHBondContact O-CA 2.98Å; F675-V963 PolarHBondContact N-O 2.87Å; F675-V963 PolarHBondContact O-N 2.61Å; F675-L965 HydrophobicContact CB-CD1 4.08Å; F675-L965 HydrophobicContact CB-CD2 4.19Å; F675-L965 HydrophobicContact CB-CG 4.22Å; F675-A979 HydrophobicContact CD1-CB 3.66Å; F675-A979 HydrophobicContact CE1-CB 3.77Å; F675-L980 HydrophobicContact CZ-CD2 4.43Å; F675-F983 AromaticContact CD1-CE2 3.82Å; F675-F983 HydrophobicContact CD1-CE2 3.82Å; F675-F983 HydrophobicContact CD1-CZ 4.2Å; F675-F983 HydrophobicContact CE1-CD2 4.35Å; F675-F983 AromaticContact CE1-CE2 3.54Å; F675-F983 HydrophobicContact CE1-CE2 3.54Å; F675-F983 HydrophobicContact CE1-CZ 4.36Å; F675-F983 HydrophobicContact CZ-CE2 4.49Å; F675-V1005 HydrophobicContact CE1-CG1 4.34Å; F675-V1005 HydrophobicContact CE2-CG1 3.82Å; F675-V1005 HydrophobicContact CZ-CG1 3.46Å; F675-V1005 VanDerWaalsContact CZ-CG1 3.46Å; F675-F1009 HydrophobicContact CB-CE1 4.45Å; F675-F1009 HydrophobicContact CB-CZ 3.98Å; F675-F1009 HydrophobicContact CD1-CE2 4.44Å; F675-F1009 AromaticContact CD1-CZ 3.95Å; F675-F1009 HydrophobicContact CD1-CZ 3.95Å; F675-F1009 AromaticContact CD2-CE2 3.77Å; F675-F1009 HydrophobicContact CD2-CE2 3.77Å; F675-F1009 AromaticContact CD2-CZ 3.96Å; F675-F1009 HydrophobicContact CD2-CZ 3.96Å; F675-F1009 HydrophobicContact CE1-CZ 4.43Å; F675-F1009 HydrophobicContact CE2-CE2 4Å; F675-F1009 HydrophobicContact CE2-CZ 4.44Å; F675-F1009 HydrophobicContact CG-CE2 4Å; F675-F1009 AromaticContact CG-CZ 3.68Å; F675-F1009 HydrophobicContact CG-CZ 3.68Å; F675-F1009 HydrophobicContact CZ-CE2 4.44Å |
| 676 | G | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 178.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V949 F961 | G676-V949 PolarHBondContact N-O 2.97Å; G676-V949 PolarHBondContact O-N 2.95Å; G676-F961 WeakPolarHBondContact CA-O 3.31Å |
| 677 | I | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131 | 179.2 | -59.5 | -175.6 | 0 | 0 | 0 | 109.3 | F679 A946 I947 Y959 F961 L980 F983 I997 M1000 | I677-F679 HydrophobicContact CG2-CE1 4.36Å; I677-F679 HydrophobicContact CG2-CE2 4.05Å; I677-F679 HydrophobicContact CG2-CZ 3.94Å; I677-A946 HydrophobicContact CG2-CB 3.82Å; I677-I947 WeakPolarHBondContact CA-O 3.47Å; I677-Y959 WeakPolarHBondContact O-CD2 3.32Å; I677-F961 HydrophobicContact CB-CB 4.09Å; I677-F961 HydrophobicContact CG1-CB 4.34Å; I677-F961 PolarHBondContact N-O 3.04Å; I677-L980 HydrophobicContact CD1-CD2 4.21Å; I677-F983 HydrophobicContact CD1-CD2 3.5Å; I677-F983 HydrophobicContact CD1-CE2 3.97Å; I677-F983 HydrophobicContact CD1-CG 4.42Å; I677-F983 HydrophobicContact CG1-CD2 4.01Å; I677-F983 HydrophobicContact CG1-CE2 3.95Å; I677-I997 HydrophobicContact CD1-CB 4.42Å; I677-I997 HydrophobicContact CD1-CD1 3.96Å; I677-I997 HydrophobicContact CD1-CG1 3.72Å; I677-I997 HydrophobicContact CD1-CG2 3.91Å; I677-M1000 HydrophobicContact CD1-CE 3.67Å; I677-M1000 HydrophobicContact CG1-CE 4.32Å |
| 678 | M | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 150.4 | 171.9 | -153.7 | 163.1 | 50.8 | 0 | 0 | 109.7 | W535 I537 L933 T934 A946 I947 V949 Y959 | W535-M678 HydrophobicContact CH2-CE 3.37Å; W535-M678 HydrophobicContact CZ3-CE 3.65Å; I537-M678 HydrophobicContact CD1-CE 3.74Å; I537-M678 HydrophobicContact CD1-SD 3.91Å; I537-M678 HydrophobicContact CG1-CE 4.48Å; M678-L933 HydrophobicContact CE-CB 3.65Å; M678-L933 HydrophobicContact CE-CD1 3.59Å; M678-L933 HydrophobicContact CE-CG 4.12Å; M678-L933 HydrophobicContact CG-CB 4.12Å; M678-L933 HydrophobicContact SD-CB 3.76Å; M678-T934 CarbonylContact C-O 3.58Å; M678-T934 WeakPolarHBondContact CA-O 3.38Å; M678-T934 VanDerWaalsContact CG-C 3.43Å; M678-T934 WeakPolarHBondContact CG-O 3.47Å; M678-A946 CarbonylContact O-C 3.6Å; M678-A946 WeakPolarHBondContact O-CA 3.29Å; M678-I947 PolarHBondContact N-O 2.8Å; M678-I947 PolarHBondContact O-N 2.91Å; M678-V949 HydrophobicContact CB-CG2 3.98Å; M678-V949 HydrophobicContact CE-CG2 4.07Å; M678-Y959 HydrophobicContact CB-CE2 3.99Å; M678-Y959 HydrophobicContact CG-CE2 4.05Å; M678-Y959 HydrophobicContact SD-CE2 4.26Å; M678-Y959 PolarHBondContact SD-OH 3.26Å |
| 679 | F | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.7 | 177.8 | -62.7 | -89.4 | 0 | 0 | 0 | 110.8 | I677 L933 T934 P937 L943 Y945 A946 F961 E993 L996 I997 | I677-F679 HydrophobicContact CG2-CE1 4.36Å; I677-F679 HydrophobicContact CG2-CE2 4.05Å; I677-F679 HydrophobicContact CG2-CZ 3.94Å; F679-L933 WeakPolarHBondContact O-CA 3.43Å; F679-T934 PolarHBondContact N-O 3.31Å; F679-T934 PolarHBondContact O-N 3.45Å; F679-P937 HydrophobicContact CD2-CB 4.18Å; F679-P937 HydrophobicContact CD2-CG 3.65Å; F679-P937 HydrophobicContact CE2-CG 3.73Å; F679-P937 HydrophobicContact CG-CG 4.49Å; F679-L943 HydrophobicContact CB-CD2 4.02Å; F679-L943 HydrophobicContact CD1-CD1 3.92Å; F679-L943 HydrophobicContact CE1-CD1 4.24Å; F679-L943 HydrophobicContact CG-CD1 4.2Å; F679-L943 HydrophobicContact CG-CD2 4.44Å; F679-Y945 WeakPolarHBondContact CA-O 3.29Å; F679-A946 HydrophobicContact CD1-CB 3.97Å; F679-A946 HydrophobicContact CE1-CB 3.8Å; F679-F961 AromaticContact CE2-CD2 3.75Å; F679-F961 HydrophobicContact CE2-CD2 3.75Å; F679-F961 AromaticContact CE2-CE2 3.75Å; F679-F961 HydrophobicContact CE2-CE2 3.75Å; F679-F961 AromaticContact CZ-CD2 3.98Å; F679-F961 HydrophobicContact CZ-CD2 3.98Å; F679-F961 AromaticContact CZ-CE2 3.75Å; F679-F961 HydrophobicContact CZ-CE2 3.75Å; F679-E993 HydrophobicContact CE1-CG 4.38Å; F679-E993 HydrophobicContact CZ-CB 4.33Å; F679-E993 HydrophobicContact CZ-CG 4.08Å; F679-L996 HydrophobicContact CD1-CD1 4.08Å; F679-L996 HydrophobicContact CE1-CB 4.32Å; F679-L996 HydrophobicContact CE1-CD1 4.29Å; F679-I997 HydrophobicContact CZ-CD1 4.49Å; F679-I997 HydrophobicContact CZ-CG1 4.43Å |
| 680 | K | 90.3 | Very high | 87.6 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.1 | 168 | 175.2 | 74.8 | -173.4 | -166.4 | 0 | 109.4 | M528 S932 L933 L944 Y945 | M528-K680 HydrophobicContact CE-CD 4.4Å; K680-S932 VanDerWaalsContact CD-OG 3.26Å; K680-S932 WeakPolarHBondContact CD-OG 3.15Å; K680-S932 WeakPolarHBondContact CE-OG 3.48Å; K680-S932 PolarHBondContact NZ-OG 3.47Å; K680-L933 HydrophobicContact CB-CD2 3.8Å; K680-L933 HydrophobicContact CD-CD2 3.77Å; K680-L933 HydrophobicContact CG-CD2 4.36Å; K680-L944 HydrophobicContact CB-CB 4.44Å; K680-L944 HydrophobicContact CG-CB 4.27Å; K680-L944 HydrophobicContact CG-CD1 4.05Å; K680-L944 PolarHBondContact O-N 3.44Å; K680-Y945 HydrophobicContact CB-CD1 4.24Å; K680-Y945 HydrophobicContact CB-CD2 3.86Å; K680-Y945 HydrophobicContact CB-CE1 3.89Å; K680-Y945 HydrophobicContact CB-CE2 3.46Å; K680-Y945 VanDerWaalsContact CB-CE2 3.46Å; K680-Y945 HydrophobicContact CB-CG 4.24Å; K680-Y945 VanDerWaalsContact CB-CZ 3.49Å; K680-Y945 HydrophobicContact CG-CD1 4.47Å; K680-Y945 HydrophobicContact CG-CE1 3.8Å; K680-Y945 HydrophobicContact CG-CE2 4.14Å; K680-Y945 PolarHBondContact N-O 3.48Å |
| 681 | L | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.2 | 177.5 | -61.4 | 171.2 | 0 | 0 | 0 | 111.4 | I686 H689 S932 T934 D941 L943 | L681-I686 HydrophobicContact CB-CG1 4.17Å; L681-H689 HydrophobicContact CD1-CB 3.92Å; L681-H689 WeakPolarHBondContact CD1-CD2 3.37Å; L681-S932 PolarHBondContact N-O 3.4Å; L681-T934 HydrophobicContact CD1-CG2 3.84Å; L681-T934 HydrophobicContact CD2-CG2 3.78Å; L681-T934 HydrophobicContact CG-CG2 3.83Å; L681-D941 HydrophobicContact CD2-CB 3.89Å; L681-L943 HydrophobicContact CD2-CD2 3.76Å |
| 682 | H | 86.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 154.8 | 161.6 | -166.6 | -103 | 0 | 0 | 0 | 110.4 | D684 S685 I686 L942 L944 | H682-D684 IonicContact CE1-OD2 2.84Å; H682-D684 PolarHBondContact CE1-OD2 3Å; H682-D684 IonicContact ND1-OD2 2.86Å; H682-D684 PolarHBondContact ND1-OD2 3.39Å; H682-D684 PolarHBondContact O-N 3.06Å; H682-D684 VanDerWaalsContact O-N 3.17Å; H682-S685 PolarHBondContact O-N 3.22Å; H682-I686 WeakPolarHBondContact O-CG1 3.29Å; H682-I686 PolarHBondContact O-N 3.33Å; H682-L942 HydrophobicContact CB-CB 3.62Å; H682-L942 HydrophobicContact CB-CD1 4.39Å; H682-L942 PolarHBondContact N-O 3.37Å; H682-L944 HydrophobicContact CB-CG 4.49Å |
| 683 | E | 81.8 | Confident | 86 | Confident | 157 Ų | 157 | 42.8 Ų | 42.8 | 73% | 0.734 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -53.2 | -40 | -174.6 | -63.8 | -172.2 | 168.7 | 0 | 0 | 112.8 | S685 I686 | E683-S685 PolarHBondContact O-N 3.43Å; E683-I686 HydrophobicContact CG-CD1 4.49Å; E683-I686 PolarHBondContact O-N 2.81Å |
| 684 | D | 84.2 | Confident | 84.9 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 60% | 0.599 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.6 | -26.9 | 178.8 | -48.8 | -41.9 | 0 | 0 | 0 | 114.2 | H682 | H682-D684 IonicContact CE1-OD2 2.84Å; H682-D684 PolarHBondContact CE1-OD2 3Å; H682-D684 IonicContact ND1-OD2 2.86Å; H682-D684 PolarHBondContact ND1-OD2 3.39Å; H682-D684 PolarHBondContact O-N 3.06Å; H682-D684 VanDerWaalsContact O-N 3.17Å |
| 685 | S | 85.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -93.1 | -16.9 | -177.8 | -57 | 0 | 0 | 0 | 0 | 112.5 | H682 E683 A687 K688 H689 L942 | H682-S685 PolarHBondContact O-N 3.22Å; E683-S685 PolarHBondContact O-N 3.43Å; S685-A687 VanDerWaalsContact C-N 3.27Å; S685-A687 PolarHBondContact O-N 3.08Å; S685-K688 PolarHBondContact O-N 3.41Å; S685-K688 VanDerWaalsContact O-N 3.14Å; S685-H689 PolarHBondContact O-CD2 3.38Å; S685-L942 PolarHBondContact OG-N 2.73Å; S685-L942 VanDerWaalsContact OG-N 3.13Å |
| 686 | I | 83.7 | Confident | 82.1 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | -175.5 | -61.5 | 177.9 | 0 | 0 | 0 | 111.4 | L681 H682 E683 K688 H689 K690 | L681-I686 HydrophobicContact CB-CG1 4.17Å; H682-I686 WeakPolarHBondContact O-CG1 3.29Å; H682-I686 PolarHBondContact O-N 3.33Å; E683-I686 HydrophobicContact CG-CD1 4.49Å; E683-I686 PolarHBondContact O-N 2.81Å; I686-K688 PolarHBondContact O-N 3.23Å; I686-H689 PolarHBondContact O-N 3.38Å; I686-H689 VanDerWaalsContact O-N 3.09Å; I686-K690 PolarHBondContact O-N 3.35Å |
| 687 | A | 82.6 | Confident | 80.3 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -59.4 | -32 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S685 H689 | S685-A687 VanDerWaalsContact C-N 3.27Å; S685-A687 PolarHBondContact O-N 3.08Å; A687-H689 VanDerWaalsContact C-N 3.26Å; A687-H689 PolarHBondContact O-N 3.31Å |
| 688 | K | 81.5 | Confident | 78.2 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -70.5 | -21.3 | -179.9 | -60.2 | 179.7 | -174.4 | 173.7 | 0 | 113.2 | S685 I686 | S685-K688 PolarHBondContact O-N 3.41Å; S685-K688 VanDerWaalsContact O-N 3.14Å; I686-K688 PolarHBondContact O-N 3.23Å |
| 689 | H | 82.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -106.8 | 6.1 | -175.6 | -67.7 | -89.6 | 0 | 0 | 0 | 113.5 | L681 S685 I686 A687 G691 E692 T934 Q936 N938 D941 | L681-H689 HydrophobicContact CD1-CB 3.92Å; L681-H689 WeakPolarHBondContact CD1-CD2 3.37Å; S685-H689 PolarHBondContact O-CD2 3.38Å; I686-H689 PolarHBondContact O-N 3.38Å; I686-H689 VanDerWaalsContact O-N 3.09Å; A687-H689 VanDerWaalsContact C-N 3.26Å; A687-H689 PolarHBondContact O-N 3.31Å; H689-G691 PolarHBondContact O-N 3.18Å; H689-E692 IonicContact ND1-OE2 2.99Å; H689-E692 PolarHBondContact O-N 3.23Å; H689-T934 PolarHBondContact ND1-OG1 2.87Å; H689-Q936 PolarHBondContact CE1-O 3.34Å; H689-Q936 VanDerWaalsContact CE1-O 3.31Å; H689-N938 PolarHBondContact CE1-ND2 3.19Å; H689-N938 PolarHBondContact NE2-ND2 2.98Å; H689-D941 IonicContact CD2-OD2 2.85Å; H689-D941 IonicContact CE1-OD2 2.83Å; H689-D941 PolarHBondContact CE1-OD2 3.24Å; H689-D941 VanDerWaalsContact CE1-OD2 3.27Å; H689-D941 VanDerWaalsContact NE2-CG 3.31Å; H689-D941 IonicContact NE2-OD1 2.7Å; H689-D941 PolarHBondContact NE2-OD1 3.34Å; H689-D941 IonicContact NE2-OD2 3.49Å; H689-D941 PolarHBondContact NE2-OD2 3.4Å |
| 690 | K | 74.8 | Confident | 72.4 | Confident | 154 Ų | 154 | 78.6 Ų | 78.6 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 125.1 | 177.3 | -163.7 | -179.4 | 179.1 | -170.4 | 0 | 109.7 | I686 | I686-K690 PolarHBondContact O-N 3.35Š|
| 691 | G | 71.6 | Confident | 69.6 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 3.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | H689 R693 R694 | H689-G691 PolarHBondContact O-N 3.18Å; G691-R693 PolarHBondContact O-N 2.98Å; G691-R693 VanDerWaalsContact O-N 3.11Å; G691-R694 PolarHBondContact O-N 3.04Å |
| 692 | E | 78.7 | Confident | 67 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.9 | 179.1 | -165.9 | -167.6 | 151 | 0 | 0 | 113 | H689 T934 Q936 K958 | H689-E692 IonicContact ND1-OE2 2.99Å; H689-E692 PolarHBondContact O-N 3.23Å; E692-T934 WeakPolarHBondContact OE2-CB 3.5Å; E692-T934 PolarHBondContact OE2-OG1 3.14Å; E692-Q936 WeakPolarHBondContact OE1-CG 3.26Å; E692-K958 PolarHBondContact O-NZ 3.31Å |
| 693 | R | 79.6 | Confident | 64.5 | Low | 26 Ų | 26 | 94.1 Ų | 94.1 | 10% | 0.098 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 41.9 | -177.8 | -62.4 | -172.7 | -67.2 | -116.3 | -5.8 | 113.3 | E540 N541 G691 L930 L933 | E540-R693 CarbonylContact C-O 3.55Å; E540-R693 VanDerWaalsContact C-O 3.29Å; E540-R693 WeakPolarHBondContact CA-O 3.48Å; N541-R693 HydrophobicContact CB-CB 3.86Å; N541-R693 PolarHBondContact OD1-NE 3.47Å; N541-R693 PolarHBondContact OD1-NH2 3.05Å; G691-R693 PolarHBondContact O-N 2.98Å; G691-R693 VanDerWaalsContact O-N 3.11Å; R693-L930 PolarHBondContact NH2-O 2.96Å; R693-L933 PolarHBondContact NH1-O 3.09Å; R693-L933 PolarHBondContact NH2-O 3.27Å |
| 694 | R | 70.6 | Confident | 62.1 | Low | 157 Ų | 157 | 95.1 Ų | 95.1 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | trans | -69.8 | 151.8 | 174.1 | 68.9 | -177.4 | -177.3 | -179 | 1 | 113.1 | G691 I696 | G691-R694 PolarHBondContact O-N 3.04Å; R694-I696 HydrophobicContact CG-CG1 4.41Å; R694-I696 PolarHBondContact O-N 3.4Å | ||
| 695 | I | 67.7 | Low | 59.6 | Low | 25 Ų | 25 | 95.9 Ų | 95.9 | 13% | 0.128 | 50% | 0.502 | C | S | . | . | trans | -64.2 | 128.1 | 169.2 | -60.5 | 165.7 | 0 | 0 | 0 | 108.5 | E540 L585 E589 P608 I697 | E540-I695 HydrophobicContact CB-CG1 3.95Å; E540-I695 HydrophobicContact CG-CG1 4.27Å; L585-I695 HydrophobicContact CD2-CD1 3.93Å; E589-I695 WeakPolarHBondContact OE1-CG1 3.44Å; P608-I695 HydrophobicContact CG-CD1 4Å; P608-I695 HydrophobicContact CG-CG1 4.17Å; P608-I695 HydrophobicContact CG-CG2 4.17Å; I695-I697 HydrophobicContact CG2-CG1 4.3Å | ||
| 696 | I | 62.1 | Low | 57.2 | Low | 101 Ų | 101 | 101.2 Ų | 101.2 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | trans | -111.9 | 104.8 | 174.6 | -56.6 | 173.9 | 0 | 0 | 0 | 106.9 | R694 I698 | R694-I696 HydrophobicContact CG-CG1 4.41Å; R694-I696 PolarHBondContact O-N 3.4Å; I696-I698 HydrophobicContact CG2-CG1 4.48Å; I696-I698 PolarHBondContact O-N 2.96Å | ||
| 697 | I | 55.3 | Low | 54.6 | Low | 82 Ų | 82 | 105.7 Ų | 105.7 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | trans | -76.5 | 117.6 | 172.3 | -54.5 | 173.7 | 0 | 0 | 0 | 107.1 | I695 | I695-I697 HydrophobicContact CG2-CG1 4.3Š| ||
| 698 | I | 49.8 | Very low | 52.4 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 70% | 0.703 | 57% | 0.569 | S | S | * | * | trans | -94.1 | 107.9 | 171 | -57.4 | 172.9 | 0 | 0 | 0 | 106.3 | I696 T700 | I696-I698 HydrophobicContact CG2-CG1 4.48Å; I696-I698 PolarHBondContact O-N 2.96Å; I698-T700 PolarHBondContact O-N 2.93Å | ||
| 699 | D | 34 | Very low | 50.1 | Low | 130 Ų | 130 | 110.5 Ų | 110.5 | 70% | 0.695 | 58% | 0.581 | S | S | * | * | trans | -61.6 | 104.1 | 170.8 | -71.7 | -27.5 | 0 | 0 | 0 | 108.7 | ||||
| 700 | T | 29.5 | Very low | 47.9 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 118.9 | 169.1 | -44 | 0 | 0 | 0 | 0 | 106.3 | I698 S702 | I698-T700 PolarHBondContact O-N 2.93Å; T700-S702 PolarHBondContact O-N 3.22Å; T700-S702 VanDerWaalsContact O-N 3.11Å |
| 701 | P | 31.7 | Very low | 46 | Very low | 108 Ų | 108 | 118 Ų | 118 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118 | -179.5 | 24.3 | -30.7 | 0 | 0 | 0 | 109.4 | Y703 | P701-Y703 PolarHBondContact O-N 3.37Š|
| 702 | S | 33.2 | Very low | 44.2 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 117 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 110.7 | T700 E704 | T700-S702 PolarHBondContact O-N 3.22Å; T700-S702 VanDerWaalsContact O-N 3.11Å; S702-E704 PolarHBondContact O-N 3.38Å |
| 703 | Y | 35 | Very low | 42.1 | Very low | 223 Ų | 223 | 127.9 Ų | 127.9 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | trans | -83.2 | 104 | 156.3 | -88 | -91 | 0 | 0 | 0 | 107.7 | P701 V705 | P701-Y703 PolarHBondContact O-N 3.37Å; Y703-V705 PolarHBondContact O-N 3.35Å | ||
| 704 | E | 31.2 | Very low | 39.7 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -69.1 | 121.6 | 167.1 | -66.5 | -178 | 172.6 | 0 | 0 | 109.1 | S702 | S702-E704 PolarHBondContact O-N 3.38Š| ||
| 705 | V | 32.6 | Very low | 37.9 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -109.3 | 127.3 | 159.1 | -178 | 0 | 0 | 0 | 0 | 106.9 | Y703 | Y703-V705 PolarHBondContact O-N 3.35Š| ||
| 706 | P | 33.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -68.9 | 136.7 | -170 | -15.4 | 29 | 0 | 0 | 0 | 112.9 | N708 | P706-N708 PolarHBondContact O-N 2.73Š| ||
| 707 | V | 29.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -70.1 | 120.4 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 708 | N | 35.5 | Very low | 33.7 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -140.4 | 112.3 | 157.9 | -94.7 | -22.7 | 0 | 0 | 0 | 110 | P706 | P706-N708 PolarHBondContact O-N 2.73Š| ||
| 709 | Q | 34.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 44.7 | 108.2 | 141.5 | -60.3 | 175.5 | -2.7 | 0 | 0 | 118.3 | ||||
| 710 | I | 35.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -156 | 121.6 | 133.2 | -80.4 | 124.6 | 0 | 0 | 0 | 107.3 | ||||
| 711 | D | 34.1 | Very low | 33 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -67.6 | 156.7 | 171.8 | -86.4 | -39.3 | 0 | 0 | 0 | 112.6 | ||||
| 712 | P | 33.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -89.4 | 133.8 | -160.5 | 34 | -32 | 0 | 0 | 0 | 113.3 | ||||
| 713 | L | 35.3 | Very low | 33.2 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -102.2 | 115 | 166.4 | -78.1 | 170.9 | 0 | 0 | 0 | 111.1 | ||||
| 714 | T | 29.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -55.1 | 122.1 | 164 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 715 | I | 33.7 | Very low | 33.4 | Very low | 162 Ų | 162 | 151 Ų | 151 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -132.8 | 121.6 | 156 | -61.7 | -178.1 | 0 | 0 | 0 | 108.1 | ||||
| 716 | Q | 36 | Very low | 33.4 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -73 | 151.7 | 178.3 | -70.6 | 172 | -21 | 0 | 0 | 111.5 | ||||
| 717 | N | 28 | Very low | 33.5 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -38.6 | 141.9 | 173.1 | -62.2 | -24.4 | 0 | 0 | 0 | 114.8 | ||||
| 718 | N | 31.8 | Very low | 33.7 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -150.3 | 126.6 | 133.1 | -92.3 | -21.4 | 0 | 0 | 0 | 109.2 | ||||
| 719 | E | 30.5 | Very low | 33.8 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -62.9 | 138.6 | 170.3 | -62.2 | 173.1 | 146.2 | 0 | 0 | 109.7 | ||||
| 720 | E | 35.1 | Very low | 33.6 | Very low | 191 Ų | 191 | 152 Ų | 152 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -170.5 | 141.6 | 136.4 | -107.2 | 171.3 | -167.2 | 0 | 0 | 111.8 | ||||
| 721 | T | 32.5 | Very low | 33.7 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -50.7 | 136 | 179 | 43.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 722 | A | 37 | Very low | 33.7 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -152.9 | 111.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 723 | E | 32.3 | Very low | 34 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -69.8 | 137.7 | 161 | -71.8 | 173.9 | 136.9 | 0 | 0 | 110.4 | ||||
| 724 | F | 34.5 | Very low | 34 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -157.8 | 155 | 159.7 | -94 | -68 | 0 | 0 | 0 | 109.7 | ||||
| 725 | P | 36.7 | Very low | 34.2 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -122.1 | 175.1 | -119 | 25.2 | -2 | 0 | 0 | 0 | 114.2 | |||||
| 726 | D | 32 | Very low | 34.3 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -24.8 | 125.3 | 174 | -62.2 | -35.2 | 0 | 0 | 0 | 117.9 | ||||
| 727 | A | 36.9 | Very low | 34.2 | Very low | 104 Ų | 104 | 148 Ų | 148 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -107.7 | 97 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L729 | A727-L729 PolarHBondContact O-N 2.83Š| ||
| 728 | L | 33 | Very low | 34.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 113.3 | 175.5 | -160.9 | 127.4 | 0 | 0 | 0 | 109.5 | Q730 | L728-Q730 HydrophobicContact CD2-CB 3.93Š| ||
| 729 | L | 37 | Very low | 34.3 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -106.8 | 95.4 | 166.6 | -99.8 | 159.6 | 0 | 0 | 0 | 108.5 | A727 | A727-L729 PolarHBondContact O-N 2.83Š| ||
| 730 | Q | 32 | Very low | 34.6 | Very low | 135 Ų | 135 | 150 Ų | 150 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | trans | -91 | 115.5 | 173.2 | -168.5 | 163.3 | -10 | 0 | 0 | 108.5 | L728 | L728-Q730 HydrophobicContact CD2-CB 3.93Š| ||
| 731 | L | 36.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 94.4 | 168.5 | -95.9 | 148.3 | 0 | 0 | 0 | 107.4 | L733 | L731-L733 PolarHBondContact O-N 3.09Š| ||
| 732 | D | 33.8 | Very low | 34.6 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 110.9 | 168.6 | -78.1 | -34.6 | 0 | 0 | 0 | 109.5 | ||||
| 733 | L | 38.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -127 | 93.7 | 154.4 | -99.2 | 93.3 | 0 | 0 | 0 | 108.6 | L731 | L731-L733 PolarHBondContact O-N 3.09Š| ||
| 734 | A | 35.6 | Very low | 34.5 | Very low | 84 Ų | 84 | 148.8 Ų | 148.8 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 146.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 735 | N | 33.1 | Very low | 34.6 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 76.2 | 96 | 162.5 | -58.3 | -19 | 0 | 0 | 0 | 117.9 | ||||
| 736 | D | 37.2 | Very low | 34.5 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | -160.1 | 143.7 | 120.9 | -95.7 | -31.1 | 0 | 0 | 0 | 112.9 | |||||
| 737 | L | 33.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -63.9 | -174.5 | -169.4 | -67.1 | 111.6 | 0 | 0 | 0 | 115.3 | ||||
| 738 | P | 33.3 | Very low | 34.6 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -132.7 | 169.5 | -5.4 | 16.3 | 10.4 | 0 | 0 | 0 | 115.9 | ||||
| 739 | R | 28.1 | Very low | 34.6 | Very low | 242 Ų | 242 | 149.8 Ų | 149.8 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -60 | 129.3 | 175.7 | -61 | 166.1 | -179.5 | -174.7 | -1.7 | 112.9 | ||||
| 740 | H | 36.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -129 | 123.6 | 151.9 | -123 | -86.6 | 0 | 0 | 0 | 109.1 | ||||
| 741 | K | 31.7 | Very low | 34.4 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -85 | 123.8 | 177 | -75 | 176.8 | 174 | 178.8 | 0 | 108.2 | ||||
| 742 | D | 35.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -133.4 | 147.4 | 155.9 | -79.8 | -42.2 | 0 | 0 | 0 | 108.8 | ||||
| 743 | P | 35.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 154.7 | -149.4 | 32.9 | -34.7 | 0 | 0 | 0 | 114.7 | V745 | P743-V745 PolarHBondContact O-N 3.45Š| ||
| 744 | D | 32.6 | Very low | 34.2 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | -39.3 | 118.4 | 176.1 | -103.9 | -49.3 | 0 | 0 | 0 | 115 | S746 | D744-S746 VanDerWaalsContact C-N 3.26Å; D744-S746 WeakPolarHBondContact OD1-CB 3.49Å; D744-S746 PolarHBondContact OD1-OG 3.09Å | ||
| 745 | V | 36.3 | Very low | 34.1 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -97.4 | 30.5 | 164.4 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | P743 | P743-V745 PolarHBondContact O-N 3.45Š|
| 746 | S | 35.8 | Very low | 34.1 | Very low | 81 Ų | 81 | 157.9 Ų | 157.9 | 57% | 0.566 | 81% | 0.808 | S | S | * | * | trans | -102.7 | -10.9 | -171.3 | -46.1 | 0 | 0 | 0 | 0 | 115.3 | D744 | D744-S746 VanDerWaalsContact C-N 3.26Å; D744-S746 WeakPolarHBondContact OD1-CB 3.49Å; D744-S746 PolarHBondContact OD1-OG 3.09Å | ||
| 747 | E | 35.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -97.6 | 2.5 | -163.6 | -84.1 | -169.6 | 152.2 | 0 | 0 | 117.1 | ||
| 748 | I | 35.8 | Very low | 33.9 | Very low | 162 Ų | 162 | 159 Ų | 159 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -95.1 | -2 | -172.5 | -58.6 | 177.6 | 0 | 0 | 0 | 113.7 | ||
| 749 | L | 33.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -137.9 | 49.2 | -177.5 | -67.4 | 171.4 | 0 | 0 | 0 | 113.6 | ||
| 750 | S | 31.2 | Very low | 33.9 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -156.7 | 77.6 | 166.4 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 751 | E | 32.5 | Very low | 33.7 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -127 | 89.7 | 153.7 | -76.3 | -163.5 | 163.3 | 0 | 0 | 109.6 | ||||
| 752 | N | 36.1 | Very low | 33.8 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -152.7 | 104.1 | 156.6 | -99.9 | -25.4 | 0 | 0 | 0 | 107 | F754 | N752-F754 PolarHBondContact O-N 2.77Å; N752-F754 VanDerWaalsContact O-N 3.16Å | ||
| 753 | P | 35 | Very low | 33.7 | Very low | 131 Ų | 131 | 155.9 Ų | 155.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -84.4 | 97.2 | -176.7 | 31.3 | -29.4 | 0 | 0 | 0 | 109.8 | ||||
| 754 | F | 34.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 120.7 | 159.2 | -92.8 | -84.5 | 0 | 0 | 0 | 110 | N752 K756 | N752-F754 PolarHBondContact O-N 2.77Å; N752-F754 VanDerWaalsContact O-N 3.16Å; F754-K756 PolarHBondContact O-N 3.32Å | ||
| 755 | K | 33.4 | Very low | 33.5 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -38.9 | 119.8 | 177.6 | -73.9 | 176.6 | 172.3 | -178.4 | 0 | 112.8 | ||||
| 756 | K | 34.2 | Very low | 33.4 | Very low | 195 Ų | 195 | 160.3 Ų | 160.3 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -75.2 | 121.8 | 158.6 | -79.8 | -179.1 | 176.6 | 174.9 | 0 | 109 | F754 | F754-K756 PolarHBondContact O-N 3.32Š| ||
| 757 | V | 30.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 162.7 Ų | 162.7 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -70 | 123.1 | 161.3 | 175.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 758 | K | 34.9 | Very low | 33.1 | Very low | 195 Ų | 195 | 163.4 Ų | 163.4 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -133.8 | 137 | 160.2 | -86.2 | -166 | 175.4 | -173.1 | 0 | 109.8 | ||||
| 759 | T | 33.2 | Very low | 33 | Very low | 135 Ų | 135 | 161.7 Ų | 161.7 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -75.8 | 155.4 | -165.8 | -18.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 760 | K | 29.2 | Very low | 32.8 | Very low | 198 Ų | 198 | 158.1 Ų | 158.1 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -40.9 | 142.6 | -177.3 | -66.5 | 171.6 | 173.8 | 176.2 | 0 | 116 | ||||
| 761 | S | 33 | Very low | 33 | Very low | 128 Ų | 128 | 163.5 Ų | 163.5 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -162.4 | 137.8 | 136.9 | -73.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 762 | Q | 33.4 | Very low | 32.9 | Very low | 178 Ų | 178 | 163.5 Ų | 163.5 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -76.7 | 150.4 | -166.7 | -60.8 | 160.9 | -22 | 0 | 0 | 114 | ||||
| 763 | K | 31.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | 157 | 128.9 | 110 | -97 | -170.9 | 177.4 | 175.1 | 0 | 114.5 | |||||
| 764 | V | 34 | Very low | 32.4 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 92.5 | 118.9 | 134.5 | -179.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 765 | D | 30.3 | Very low | 32 | Very low | 135 Ų | 135 | 159.6 Ų | 159.6 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -61.4 | 156.9 | 174.2 | -65.7 | -68.1 | 0 | 0 | 0 | 116.3 | ||||
| 766 | K | 33.8 | Very low | 32.1 | Very low | 217 Ų | 217 | 158.5 Ų | 158.5 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -156.7 | 136 | 136.2 | -106.7 | 168.5 | -172.5 | -176.2 | 0 | 111.8 | ||||
| 767 | L | 32.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 156 Ų | 156 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | trans | -94.5 | 149.2 | -165.7 | -81.4 | 100.2 | 0 | 0 | 0 | 115.6 | ||||
| 768 | K | 32.1 | Very low | 32 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | 60.7 | 170.7 | 133.9 | -74.4 | -175.9 | -178.9 | 175 | 0 | 120.2 | ||||
| 769 | P | 34.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -136.9 | 177.8 | 2.8 | 19.9 | 7.3 | 0 | 0 | 0 | 117.5 | ||||
| 770 | A | 30.5 | Very low | 31.7 | Very low | 96 Ų | 96 | 156 Ų | 156 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -90 | 164.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 771 | K | 34.2 | Very low | 32 | Very low | 210 Ų | 210 | 153.4 Ų | 153.4 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -136.4 | 107.9 | 161.3 | -88.3 | -173 | 177.1 | -179.7 | 0 | 112.9 | ||||
| 772 | K | 29.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 156 Ų | 156 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | 23.8 | 133.2 | 129.2 | -71.2 | -174.2 | 175.7 | -176.4 | 0 | 123.9 | |||||
| 773 | T | 27.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 70.6 | 148.5 | 129.8 | 58 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 774 | A | 33.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 152.4 Ų | 152.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | cis | -161.9 | 160.7 | 18.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 775 | N | 26.5 | Very low | 31.8 | Very low | 151 Ų | 151 | 155 Ų | 155 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 158.3 | 170.5 | -82.1 | -17.8 | 0 | 0 | 0 | 113.3 | ||||
| 776 | L | 34.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -165.9 | 150 | 139.8 | -102.4 | 150.8 | 0 | 0 | 0 | 111.6 | ||||
| 777 | N | 31.1 | Very low | 31.7 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 170.3 | -157.9 | -67.2 | -36.2 | 0 | 0 | 0 | 116 | ||||
| 778 | R | 32.1 | Very low | 31.6 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | 106.3 | 119.6 | 139.5 | -84.5 | -167.3 | 164 | 146.2 | 0.1 | 120.5 | ||||
| 779 | E | 30.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 156 Ų | 156 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | 52.8 | 131.5 | 126.5 | -62.1 | 162.6 | -160.3 | 0 | 0 | 117 | |||||
| 780 | T | 32.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | cis | -178.1 | 159 | 45.4 | -17.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 781 | I | 33.7 | Very low | 31.4 | Very low | 145 Ų | 145 | 158.5 Ų | 158.5 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | 83.7 | 101 | 148 | -58.8 | 153.5 | 0 | 0 | 0 | 121.4 | ||||
| 782 | E | 30 | Very low | 31.4 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | 18.9 | 128.9 | 129.1 | -55.4 | 178.9 | 166.1 | 0 | 0 | 121.8 | |||||
| 783 | A | 32.2 | Very low | 31.6 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | 167.8 | 141.3 | 102 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 784 | K | 34.4 | Very low | 31.9 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | 90.3 | 127 | 151.7 | -71.4 | 174.4 | -177.3 | -178.8 | 0 | 122 | ||||
| 785 | E | 33 | Very low | 32 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 101.3 | 108.1 | 147.5 | -76 | 175 | -174.8 | 0 | 0 | 120.9 | ||||
| 786 | K | 28 | Very low | 32.1 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 118.2 | 173 | -69.5 | 174.8 | 175.9 | 174.9 | 0 | 109.2 | ||||
| 787 | V | 33.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -130.2 | 129 | 157.2 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | E789 | V787-E789 PolarHBondContact O-N 3.36Š| ||
| 788 | N | 29.2 | Very low | 32.5 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -51.4 | 118.1 | 178.4 | -77.7 | -37.8 | 0 | 0 | 0 | 112.3 | ||||
| 789 | E | 28.9 | Very low | 32.7 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -105.1 | 123 | 175.3 | -149.5 | 177.8 | -156.9 | 0 | 0 | 110.8 | V787 | V787-E789 PolarHBondContact O-N 3.36Š| ||
| 790 | P | 33.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -82.8 | 129.5 | 174.6 | 30.3 | -28.4 | 0 | 0 | 0 | 111.1 | L792 | P790-L792 PolarHBondContact O-N 3.16Š| ||
| 791 | L | 31.3 | Very low | 34 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -39.4 | 113.7 | 174.9 | -71.7 | 145.9 | 0 | 0 | 0 | 113.9 | ||||
| 792 | L | 33.4 | Very low | 34 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 61% | 0.613 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 135.2 | 163.4 | -80.4 | 144.2 | 0 | 0 | 0 | 110.3 | P790 S794 | P790-L792 PolarHBondContact O-N 3.16Å; L792-S794 PolarHBondContact O-N 3.11Å |
| 793 | P | 35.2 | Very low | 35.1 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.6 | 174.2 | 28.7 | -28.8 | 0 | 0 | 0 | 110.3 | ||
| 794 | S | 33.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.6 | 173.3 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | L792 | L792-S794 PolarHBondContact O-N 3.11Š|
| 795 | A | 34.4 | Very low | 38 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 148 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q797 | A795-Q797 PolarHBondContact O-N 3.47Š|
| 796 | G | 30.5 | Very low | 39.6 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 126.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 797 | Q | 35.8 | Very low | 41.5 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.5 | 166.4 | -71 | -178.1 | -16.8 | 0 | 0 | 111.1 | A795 | A795-Q797 PolarHBondContact O-N 3.47Š|
| 798 | P | 36.5 | Very low | 42.9 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 143.3 | 175.6 | 28.9 | -32.2 | 0 | 0 | 0 | 111.1 | L800 | P798-L800 PolarHBondContact O-N 3.33Å; P798-L800 VanDerWaalsContact O-N 3.09Å |
| 799 | I | 37.3 | Very low | 44.9 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | -62.8 | 108.6 | -177.4 | -62.5 | 163.9 | 0 | 0 | 0 | 110 | ||||
| 800 | L | 47 | Very low | 46.9 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 44% | 0.435 | 69% | 0.689 | S | S | . | * | trans | -68.7 | 130.5 | 172.4 | -69.8 | 166.1 | 0 | 0 | 0 | 110.8 | P798 K805 | P798-L800 PolarHBondContact O-N 3.33Å; P798-L800 VanDerWaalsContact O-N 3.09Å; L800-K805 HydrophobicContact CD1-CG 4.49Å | ||
| 801 | K | 42.8 | Very low | 48.5 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | trans | -60.4 | 140.3 | 176.8 | -70.6 | -177.5 | 178.8 | -178.3 | 0 | 111.2 | G803 Q804 | K801-G803 PolarHBondContact O-N 2.85Å; K801-G803 VanDerWaalsContact O-N 3.14Å; K801-Q804 PolarHBondContact O-N 3.28Å | ||
| 802 | R | 33.9 | Very low | 50.3 | Low | 239 Ų | 239 | 126.1 Ų | 126.1 | 90% | 0.902 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 114.3 | -178.7 | -160.3 | 176.1 | -175 | -174.6 | 0.7 | 109.8 | ||
| 803 | G | 52.8 | Low | 52 | Low | 49 Ų | 49 | 127.2 Ų | 127.2 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 131.9 | -36.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | K801 K805 A806 K807 | K801-G803 PolarHBondContact O-N 2.85Å; K801-G803 VanDerWaalsContact O-N 3.14Å; G803-K805 PolarHBondContact O-N 3.18Å; G803-A806 PolarHBondContact O-N 3.23Å; G803-K807 PolarHBondContact O-N 2.95Å |
| 804 | Q | 65.8 | Low | 53.6 | Low | 102 Ų | 102 | 129.1 Ų | 129.1 | 48% | 0.477 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -69.4 | -34.9 | 179.8 | -74.5 | 176.9 | -20.1 | 0 | 0 | 112.7 | K801 A806 K807 I808 | K801-Q804 PolarHBondContact O-N 3.28Å; Q804-A806 VanDerWaalsContact C-N 3.32Å; Q804-A806 PolarHBondContact O-N 2.79Å; Q804-K807 PolarHBondContact O-N 3.01Å; Q804-I808 WeakPolarHBondContact O-CB 3.27Å; Q804-I808 WeakPolarHBondContact O-CD1 3.4Å; Q804-I808 VanDerWaalsContact O-CG1 3.23Å; Q804-I808 WeakPolarHBondContact O-CG1 3.34Å; Q804-I808 PolarHBondContact O-N 2.76Å |
| 805 | K | 61.9 | Low | 54.7 | Low | 156 Ų | 156 | 128.7 Ų | 128.7 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.1 | -37.1 | 176 | -77.1 | -172.9 | 175 | -177.3 | 0 | 113.3 | L800 G803 K809 | L800-K805 HydrophobicContact CD1-CG 4.49Å; G803-K805 PolarHBondContact O-N 3.18Å; K805-K809 WeakPolarHBondContact O-CB 3.39Å; K805-K809 PolarHBondContact O-N 3.29Å |
| 806 | A | 66.2 | Low | 55.9 | Low | 63 Ų | 63 | 132 Ų | 132 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -73.2 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G803 Q804 K809 K810 | G803-A806 PolarHBondContact O-N 3.23Å; Q804-A806 VanDerWaalsContact C-N 3.32Å; Q804-A806 PolarHBondContact O-N 2.79Å; A806-K809 PolarHBondContact O-N 3.44Å; A806-K810 PolarHBondContact O-N 3.44Å |
| 807 | K | 67 | Low | 57.1 | Low | 156 Ų | 156 | 137 Ų | 137 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.7 | -44.8 | 172.5 | -112.5 | -178.8 | 177.9 | -177.4 | 0 | 111.6 | G803 Q804 K810 I811 | G803-K807 PolarHBondContact O-N 2.95Å; Q804-K807 PolarHBondContact O-N 3.01Å; K807-K810 PolarHBondContact O-N 3.11Å; K807-I811 VanDerWaalsContact O-CG1 3.27Å; K807-I811 WeakPolarHBondContact O-CG1 3.48Å; K807-I811 PolarHBondContact O-N 2.81Å |
| 808 | I | 63.5 | Low | 57.7 | Low | 86 Ų | 86 | 131.6 Ų | 131.6 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.6 | -40.4 | 177.8 | -68.9 | 163.9 | 0 | 0 | 0 | 111.2 | Q804 I811 K812 | Q804-I808 WeakPolarHBondContact O-CB 3.27Å; Q804-I808 WeakPolarHBondContact O-CD1 3.4Å; Q804-I808 VanDerWaalsContact O-CG1 3.23Å; Q804-I808 WeakPolarHBondContact O-CG1 3.34Å; Q804-I808 PolarHBondContact O-N 2.76Å; I808-I811 PolarHBondContact O-N 2.75Å; I808-K812 VanDerWaalsContact O-CB 3.27Å; I808-K812 WeakPolarHBondContact O-CB 3.35Å; I808-K812 PolarHBondContact O-N 3.39Å |
| 809 | K | 71.6 | Confident | 58.7 | Low | 146 Ų | 146 | 132.4 Ų | 132.4 | 64% | 0.635 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.9 | -41.2 | 176.8 | -157.1 | 178.7 | -176.9 | -172.9 | 0 | 111.7 | K805 A806 K812 Q813 | K805-K809 WeakPolarHBondContact O-CB 3.39Å; K805-K809 PolarHBondContact O-N 3.29Å; A806-K809 PolarHBondContact O-N 3.44Å; K809-K812 PolarHBondContact O-N 2.84Å; K809-Q813 VanDerWaalsContact O-CB 3.27Å; K809-Q813 WeakPolarHBondContact O-CB 3.05Å; K809-Q813 PolarHBondContact O-N 3.48Å |
| 810 | K | 71.5 | Confident | 59.9 | Low | 163 Ų | 163 | 130 Ų | 130 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -43.2 | 173.3 | -79.2 | -172.1 | 175.1 | -170.8 | 0 | 112.4 | A806 K807 Q813 K814 | A806-K810 PolarHBondContact O-N 3.44Å; K807-K810 PolarHBondContact O-N 3.11Å; K810-Q813 PolarHBondContact O-N 3.44Å; K810-K814 WeakPolarHBondContact O-CB 3.48Å; K810-K814 PolarHBondContact O-N 3.01Å |
| 811 | I | 67.3 | Low | 60.7 | Low | 94 Ų | 94 | 133.9 Ų | 133.9 | 48% | 0.482 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -47 | 176.7 | -70 | 166.8 | 0 | 0 | 0 | 110.3 | K807 I808 Q813 K814 Y815 | K807-I811 VanDerWaalsContact O-CG1 3.27Å; K807-I811 WeakPolarHBondContact O-CG1 3.48Å; K807-I811 PolarHBondContact O-N 2.81Å; I808-I811 PolarHBondContact O-N 2.75Å; I811-Q813 PolarHBondContact O-N 2.87Å; I811-K814 PolarHBondContact O-N 3.45Å; I811-K814 VanDerWaalsContact O-N 3.16Å; I811-Y815 HydrophobicContact CG2-CD2 3.72Å; I811-Y815 HydrophobicContact CG2-CE2 3.91Å; I811-Y815 WeakPolarHBondContact O-CD2 3.5Å; I811-Y815 PolarHBondContact O-N 2.88Å |
| 812 | K | 67.9 | Low | 61.8 | Low | 167 Ų | 167 | 130.1 Ų | 130.1 | 73% | 0.726 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -28 | 179.9 | -159.1 | 175.2 | -174.1 | -179 | 0 | 113.1 | I808 K809 | I808-K812 VanDerWaalsContact O-CB 3.27Å; I808-K812 WeakPolarHBondContact O-CB 3.35Å; I808-K812 PolarHBondContact O-N 3.39Å; K809-K812 PolarHBondContact O-N 2.84Å |
| 813 | Q | 69.4 | Low | 62.9 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -85.7 | -31.4 | 176.2 | -159.5 | 150.8 | 3 | 0 | 0 | 112.2 | K809 K810 I811 | K809-Q813 VanDerWaalsContact O-CB 3.27Å; K809-Q813 WeakPolarHBondContact O-CB 3.05Å; K809-Q813 PolarHBondContact O-N 3.48Å; K810-Q813 PolarHBondContact O-N 3.44Å; I811-Q813 PolarHBondContact O-N 2.87Å |
| 814 | K | 68.4 | Low | 63.5 | Low | 160 Ų | 160 | 128.5 Ų | 128.5 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.9 | -27.6 | 175.6 | -171.5 | 177 | -178.2 | -175.8 | 0 | 113.5 | K810 I811 | K810-K814 WeakPolarHBondContact O-CB 3.48Å; K810-K814 PolarHBondContact O-N 3.01Å; I811-K814 PolarHBondContact O-N 3.45Å; I811-K814 VanDerWaalsContact O-N 3.16Å |
| 815 | Y | 56.6 | Low | 63.5 | Low | 101 Ų | 101 | 129.2 Ų | 129.2 | 40% | 0.396 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.2 | 27.7 | -177.6 | -57.4 | -71.9 | 0 | 0 | 0 | 112.5 | I811 E817 | I811-Y815 HydrophobicContact CG2-CD2 3.72Å; I811-Y815 HydrophobicContact CG2-CE2 3.91Å; I811-Y815 WeakPolarHBondContact O-CD2 3.5Å; I811-Y815 PolarHBondContact O-N 2.88Å; Y815-E817 PolarHBondContact O-N 3.4Å |
| 816 | K | 60 | Low | 63.4 | Low | 165 Ų | 165 | 128 Ų | 128 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -18 | -176.5 | -165.7 | -173.4 | 171.2 | -155.9 | 0 | 112.9 | ||
| 817 | E | 55.4 | Low | 63.1 | Low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 16.2 | -168.9 | -65.3 | 177.3 | 179.2 | 0 | 0 | 113.6 | Y815 | Y815-E817 PolarHBondContact O-N 3.4Š|
| 818 | Q | 49.7 | Very low | 62.9 | Low | 57 Ų | 57 | 130.1 Ų | 130.1 | 27% | 0.266 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -99.8 | 133.9 | 174.8 | -71.6 | -158.1 | -65.2 | 0 | 0 | 111.2 | E822 | Q818-E822 PolarHBondContact NE2-OE1 2.9Å; Q818-E822 PolarHBondContact NE2-OE2 3.07Å |
| 819 | D | 56.2 | Low | 62.9 | Low | 133 Ų | 133 | 132.5 Ų | 132.5 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | trans | -52.4 | 139.9 | 174.1 | -80.3 | -33.4 | 0 | 0 | 0 | 111.9 | E821 E822 R823 | D819-E821 PolarHBondContact O-N 3.14Å; D819-E822 PolarHBondContact O-N 2.98Å; D819-E822 VanDerWaalsContact O-N 3.15Å; D819-R823 PolarHBondContact O-N 2.99Å | ||
| 820 | D | 62.3 | Low | 62 | Low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.3 | -22.6 | -173.7 | -78.4 | -39.4 | 0 | 0 | 0 | 113.1 | N824 | D820-N824 PolarHBondContact O-N 2.96Å |
| 821 | E | 65.4 | Low | 61.2 | Low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.8 | -42 | 177.6 | -67.4 | -171.2 | 161.7 | 0 | 0 | 113 | D819 R823 N824 L825 | D819-E821 PolarHBondContact O-N 3.14Å; E821-R823 VanDerWaalsContact C-N 3.34Å; E821-R823 PolarHBondContact O-N 2.85Å; E821-N824 PolarHBondContact O-N 3.17Å; E821-L825 PolarHBondContact O-N 3.03Å |
| 822 | E | 64.1 | Low | 60.3 | Low | 83 Ų | 83 | 127.1 Ų | 127.1 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.4 | -34 | -179.3 | -157.9 | -163.9 | 153.3 | 0 | 0 | 111.4 | Q818 D819 L825 R826 | Q818-E822 PolarHBondContact NE2-OE1 2.9Å; Q818-E822 PolarHBondContact NE2-OE2 3.07Å; D819-E822 PolarHBondContact O-N 2.98Å; D819-E822 VanDerWaalsContact O-N 3.15Å; E822-L825 PolarHBondContact O-N 2.84Å; E822-R826 PolarHBondContact O-N 2.76Å; E822-R826 IonicContact OE1-CZ 3.88Å; E822-R826 IonicContact OE1-NE 3.92Å; E822-R826 IonicContact OE1-NH1 3.87Å; E822-R826 IonicContact OE1-NH2 2.68Å |
| 823 | R | 58.4 | Low | 59.5 | Low | 142 Ų | 142 | 127.2 Ų | 127.2 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 174.3 | -177.1 | 177.2 | 171.8 | -159.7 | -6.8 | 112.1 | D819 E821 M827 | D819-R823 PolarHBondContact O-N 2.99Å; E821-R823 VanDerWaalsContact C-N 3.34Å; E821-R823 PolarHBondContact O-N 2.85Å; R823-M827 WeakPolarHBondContact O-CB 3.02Å; R823-M827 WeakPolarHBondContact O-CG 3.28Å; R823-M827 PolarHBondContact O-N 2.9Å; R823-M827 VanDerWaalsContact O-N 3.15Å |
| 824 | N | 64.1 | Low | 58.4 | Low | 113 Ų | 113 | 128.4 Ų | 128.4 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.7 | -39 | 176 | -86.5 | -20.3 | 0 | 0 | 0 | 112 | D820 E821 M827 K828 | D820-N824 PolarHBondContact O-N 2.96Å; E821-N824 PolarHBondContact O-N 3.17Å; N824-M827 PolarHBondContact O-N 2.98Å; N824-K828 PolarHBondContact O-N 3.29Å |
| 825 | L | 67.2 | Low | 57.3 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -45.8 | 177.8 | -136.8 | 85 | 0 | 0 | 0 | 111.8 | E821 E822 M827 K828 I829 | E821-L825 PolarHBondContact O-N 3.03Å; E822-L825 PolarHBondContact O-N 2.84Å; L825-M827 PolarHBondContact O-N 2.79Å; L825-K828 WeakPolarHBondContact O-CB 3.33Å; L825-K828 PolarHBondContact O-N 3.06Å; L825-I829 WeakPolarHBondContact O-CG1 3.41Å; L825-I829 PolarHBondContact O-N 3.03Å; L825-I829 VanDerWaalsContact O-N 3.08Å |
| 826 | R | 59.1 | Low | 56.9 | Low | 131 Ų | 131 | 129.1 Ų | 129.1 | 49% | 0.494 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.5 | -33.6 | 177.3 | -82.6 | -179.4 | 168.8 | 170.1 | 2.4 | 113.3 | E822 K828 I829 L830 | E822-R826 PolarHBondContact O-N 2.76Å; E822-R826 IonicContact OE1-CZ 3.88Å; E822-R826 IonicContact OE1-NE 3.92Å; E822-R826 IonicContact OE1-NH1 3.87Å; E822-R826 IonicContact OE1-NH2 2.68Å; R826-K828 VanDerWaalsContact C-N 3.33Å; R826-I829 PolarHBondContact O-N 3.41Å; R826-L830 PolarHBondContact O-N 2.64Å; R826-L830 VanDerWaalsContact O-N 3.15Å |
| 827 | M | 59.3 | Low | 56.1 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.4 | -29.8 | 174.4 | -76.9 | -69.3 | -74.3 | 0 | 0 | 112.5 | R823 N824 L825 Q831 | R823-M827 WeakPolarHBondContact O-CB 3.02Å; R823-M827 WeakPolarHBondContact O-CG 3.28Å; R823-M827 PolarHBondContact O-N 2.9Å; R823-M827 VanDerWaalsContact O-N 3.15Å; N824-M827 PolarHBondContact O-N 2.98Å; L825-M827 PolarHBondContact O-N 2.79Å; M827-Q831 WeakPolarHBondContact O-CG 3.42Å; M827-Q831 PolarHBondContact O-N 2.85Å |
| 828 | K | 62.9 | Low | 55.5 | Low | 165 Ų | 165 | 120.1 Ų | 120.1 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 172.6 | -123.4 | 173.6 | -179.7 | 177.3 | 0 | 112.3 | N824 L825 R826 L830 Q831 | N824-K828 PolarHBondContact O-N 3.29Å; L825-K828 WeakPolarHBondContact O-CB 3.33Å; L825-K828 PolarHBondContact O-N 3.06Å; R826-K828 VanDerWaalsContact C-N 3.33Å; K828-L830 VanDerWaalsContact C-N 3.29Å; K828-L830 PolarHBondContact O-N 3.32Å; K828-Q831 PolarHBondContact O-N 2.91Å |
| 829 | I | 64.8 | Low | 55.2 | Low | 137 Ų | 137 | 125.3 Ų | 125.3 | 70% | 0.703 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -29 | 176.3 | -65.6 | 164.7 | 0 | 0 | 0 | 111.7 | L825 R826 | L825-I829 WeakPolarHBondContact O-CG1 3.41Å; L825-I829 PolarHBondContact O-N 3.03Å; L825-I829 VanDerWaalsContact O-N 3.08Å; R826-I829 PolarHBondContact O-N 3.41Å |
| 830 | L | 52.8 | Low | 54.5 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -13.5 | 178.2 | -105 | 140.9 | 0 | 0 | 0 | 114.5 | R826 K828 | R826-L830 PolarHBondContact O-N 2.64Å; R826-L830 VanDerWaalsContact O-N 3.15Å; K828-L830 VanDerWaalsContact C-N 3.29Å; K828-L830 PolarHBondContact O-N 3.32Å |
| 831 | Q | 53.3 | Low | 53.7 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 43% | 0.425 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -98.1 | 85.8 | 175.2 | -74.1 | 179.5 | 4.6 | 0 | 0 | 108.5 | M827 K828 H841 | M827-Q831 WeakPolarHBondContact O-CG 3.42Å; M827-Q831 PolarHBondContact O-N 2.85Å; K828-Q831 PolarHBondContact O-N 2.91Å; Q831-H841 PolarHBondContact NE2-CE1 3.24Å; Q831-H841 VanDerWaalsContact NE2-CE1 3.25Å; Q831-H841 PolarHBondContact NE2-NE2 2.82Å |
| 832 | G | 48.5 | Very low | 52.8 | Low | 54 Ų | 54 | 121.4 Ų | 121.4 | 56% | 0.557 | 61% | 0.613 | S | S | * | * | trans | -49.1 | 145.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D834 A835 | G832-D834 PolarHBondContact O-N 2.8Å; G832-A835 PolarHBondContact O-N 2.86Å | ||
| 833 | D | 51.9 | Low | 52.1 | Low | 170 Ų | 170 | 122.1 Ų | 122.1 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -7.6 | -159.9 | -70.3 | -40.4 | 0 | 0 | 0 | 117.2 | ||
| 834 | D | 47.2 | Very low | 51.5 | Low | 164 Ų | 164 | 119.3 Ų | 119.3 | 88% | 0.877 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 7.7 | -171.4 | -72.5 | -39.2 | 0 | 0 | 0 | 116.2 | G832 | G832-D834 PolarHBondContact O-N 2.8Š|
| 835 | A | 44.5 | Very low | 50.5 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | trans | -92.3 | 111.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G832 | G832-A835 PolarHBondContact O-N 2.86Š| ||
| 836 | K | 47.9 | Very low | 49.4 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.9 | 172.5 | -75.9 | 179.7 | -179.7 | 172.9 | 0 | 111.6 | S838 | K836-S838 PolarHBondContact O-N 3.35Š|
| 837 | P | 43.4 | Very low | 48.5 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.1 | -174.2 | 24.7 | -31.4 | 0 | 0 | 0 | 111.5 | H841 | P837-H841 HydrophobicContact CB-CB 3.99Š|
| 838 | S | 43.3 | Very low | 47.5 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 155.8 | 176.2 | 80.9 | 0 | 0 | 0 | 0 | 111.4 | K836 Y840 H841 | K836-S838 PolarHBondContact O-N 3.35Å; S838-Y840 PolarHBondContact O-N 3.05Å; S838-Y840 WeakPolarHBondContact OG-CB 3.2Å; S838-Y840 PolarHBondContact OG-N 3.34Å; S838-H841 WeakPolarHBondContact O-CB 3.49Å; S838-H841 PolarHBondContact O-N 2.85Å |
| 839 | Q | 41.9 | Very low | 46.3 | Very low | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -18.1 | 176.4 | -139.4 | 172.5 | 18.9 | 0 | 0 | 114 | ||
| 840 | Y | 42 | Very low | 45 | Very low | 164 Ų | 164 | 119.5 Ų | 119.5 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -27.1 | 175.4 | -156.4 | -95.6 | 0 | 0 | 0 | 113.4 | S838 I843 L844 | S838-Y840 PolarHBondContact O-N 3.05Å; S838-Y840 WeakPolarHBondContact OG-CB 3.2Å; S838-Y840 PolarHBondContact OG-N 3.34Å; Y840-I843 PolarHBondContact O-N 3.31Å; Y840-L844 HydrophobicContact CD1-CD1 3.85Å; Y840-L844 HydrophobicContact CE1-CD1 3.88Å |
| 841 | H | 46.4 | Very low | 44.1 | Very low | 57 Ų | 57 | 118.9 Ų | 118.9 | 26% | 0.264 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.2 | -34.2 | 178.7 | -122.2 | 46.8 | 0 | 0 | 0 | 112.3 | Q831 P837 S838 I843 L844 E845 | Q831-H841 PolarHBondContact NE2-CE1 3.24Å; Q831-H841 VanDerWaalsContact NE2-CE1 3.25Å; Q831-H841 PolarHBondContact NE2-NE2 2.82Å; P837-H841 HydrophobicContact CB-CB 3.99Å; S838-H841 WeakPolarHBondContact O-CB 3.49Å; S838-H841 PolarHBondContact O-N 2.85Å; H841-I843 PolarHBondContact O-N 2.9Å; H841-L844 PolarHBondContact O-N 2.77Å; H841-E845 PolarHBondContact O-N 3.19Å |
| 842 | Q | 46.4 | Very low | 43 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 54% | 0.542 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.3 | -16 | 177.2 | -69 | 176.7 | 2.3 | 0 | 0 | 113.9 | ||
| 843 | I | 49.2 | Very low | 42.3 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 51% | 0.508 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -89.1 | -39.3 | 179.3 | -60.2 | 171.2 | 0 | 0 | 0 | 109.8 | Y840 H841 E845 R846 D847 | Y840-I843 PolarHBondContact O-N 3.31Å; H841-I843 PolarHBondContact O-N 2.9Å; I843-E845 PolarHBondContact O-N 2.87Å; I843-R846 PolarHBondContact O-N 3.17Å; I843-D847 PolarHBondContact O-N 2.8Å |
| 844 | L | 45.6 | Very low | 41.3 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 43% | 0.429 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.3 | -30.9 | 177.9 | -77.5 | 160.1 | 0 | 0 | 0 | 113.1 | Y840 H841 R846 N848 | Y840-L844 HydrophobicContact CD1-CD1 3.85Å; Y840-L844 HydrophobicContact CE1-CD1 3.88Å; H841-L844 PolarHBondContact O-N 2.77Å; L844-R846 VanDerWaalsContact C-N 3.31Å; L844-N848 PolarHBondContact O-N 2.73Å |
| 845 | E | 43.4 | Very low | 40.5 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.7 | -23.8 | 173.6 | -73.5 | 179.7 | 166.8 | 0 | 0 | 113 | H841 I843 L849 | H841-E845 PolarHBondContact O-N 3.19Å; I843-E845 PolarHBondContact O-N 2.87Å; E845-L849 WeakPolarHBondContact O-CD1 3.43Å |
| 846 | R | 43.2 | Very low | 39.9 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.8 | -32.7 | 177 | -93.2 | -175.3 | 159.1 | 112.6 | -2.6 | 113.5 | I843 L844 | I843-R846 PolarHBondContact O-N 3.17Å; L844-R846 VanDerWaalsContact C-N 3.31Å |
| 847 | D | 41 | Very low | 39.1 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -82.7 | -16.1 | -178.4 | -74.1 | -17 | 0 | 0 | 0 | 113.4 | I843 S850 | I843-D847 PolarHBondContact O-N 2.8Å; D847-S850 PolarHBondContact O-OG 3.38Å |
| 848 | N | 38 | Very low | 38.6 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 57% | 0.572 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -89.7 | -13 | 178.3 | -78.9 | -14.4 | 0 | 0 | 0 | 114 | L844 S850 | L844-N848 PolarHBondContact O-N 2.73Å; N848-S850 VanDerWaalsContact C-N 3.35Å |
| 849 | L | 37.5 | Very low | 38 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -13.8 | 174 | -83.4 | 152.6 | 0 | 0 | 0 | 113 | E845 | E845-L849 WeakPolarHBondContact O-CD1 3.43Š|
| 850 | S | 37.3 | Very low | 37.5 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -0.4 | -177.8 | 45.4 | 0 | 0 | 0 | 0 | 115.2 | D847 N848 | D847-S850 PolarHBondContact O-OG 3.38Å; N848-S850 VanDerWaalsContact C-N 3.35Å |
| 851 | N | 34.9 | Very low | 37 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -121.3 | 20.6 | -171.4 | -74.4 | -29.4 | 0 | 0 | 0 | 115.2 | ||
| 852 | L | 29.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | trans | -136.2 | 73.1 | -175.9 | -97 | 128.4 | 0 | 0 | 0 | 113 | ||||
| 853 | I | 32.8 | Very low | 35.6 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -142.8 | 122.5 | 150.7 | -58.3 | -174.9 | 0 | 0 | 0 | 109.3 | ||||
| 854 | K | 32.6 | Very low | 34.7 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -77 | 147.5 | -171 | -67.8 | 170.6 | 173.9 | 177.1 | 0 | 113.1 | ||||
| 855 | I | 29.9 | Very low | 34.1 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -105.7 | 126.9 | 169.6 | -57.5 | 169 | 0 | 0 | 0 | 108.7 | ||||
| 856 | P | 31.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -93.4 | 141.7 | 168.3 | 0.4 | 19.6 | 0 | 0 | 0 | 113 | ||||
| 857 | Q | 32.1 | Very low | 33 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -64.4 | 158.1 | 169.4 | -63.7 | 166.9 | -54.3 | 0 | 0 | 110.6 | ||||
| 858 | C | 30.9 | Very low | 32.5 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | 176.4 | 151.8 | 70.6 | -124.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 859 | V | 32.4 | Very low | 32.3 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 92.8 | 106.7 | 137.8 | -176.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 860 | L | 30.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 36.5 | 127.3 | 134.5 | -74.4 | 83.4 | 0 | 0 | 0 | 121.1 | ||||
| 861 | D | 32.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | -167 | 109.1 | 95.7 | -103 | -32.1 | 0 | 0 | 0 | 114.2 | |||||
| 862 | T | 30 | Very low | 31.4 | Very low | 99 Ų | 99 | 145 Ų | 145 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | 50.8 | 132.3 | 121.8 | -24.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 863 | Q | 32.6 | Very low | 31.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 96.3 | 136.8 | 146.7 | -54.7 | -162.9 | 7.3 | 0 | 0 | 118.8 | ||||
| 864 | V | 30.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | cis | -171.6 | 143.9 | -2.3 | 136 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 865 | V | 32.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 161.3 | 120.9 | 128.1 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 866 | Y | 31.3 | Very low | 31.6 | Very low | 200 Ų | 200 | 140 Ų | 140 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 152.2 | -177.4 | -88.5 | -105.6 | 0 | 0 | 0 | 115 | ||||
| 867 | N | 33.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | -171.9 | 144.1 | 95.1 | -104.3 | -17.3 | 0 | 0 | 0 | 113.7 | |||||
| 868 | S | 29.8 | Very low | 31.6 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | trans | -90.1 | 159.4 | -163.8 | 42.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 869 | D | 34.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | -160.3 | 122.5 | 118.2 | -92.5 | -18.4 | 0 | 0 | 0 | 111.1 | |||||
| 870 | S | 27.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -123.7 | 137.2 | -177.6 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 871 | I | 34.3 | Very low | 31.4 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 114.2 | 155.9 | -63.2 | -179.1 | 0 | 0 | 0 | 108.5 | ||||
| 872 | Q | 28.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -77 | 155.5 | 169.7 | -66.4 | 168.8 | -26 | 0 | 0 | 110.7 | ||||
| 873 | N | 32.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | -168.7 | 107.6 | 128.7 | -104.3 | -12.8 | 0 | 0 | 0 | 113.9 | |||||
| 874 | N | 32.5 | Very low | 31.4 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 10.6 | 140.2 | 136.8 | -63.7 | -22.9 | 0 | 0 | 0 | 123.5 | ||||
| 875 | Q | 31.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -33.6 | 172.6 | 152.1 | -87.6 | 178.2 | -55 | 0 | 0 | 117.3 | ||||
| 876 | P | 33.2 | Very low | 31.1 | Very low | 105 Ų | 105 | 148 Ų | 148 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -147 | 161.6 | 33.7 | 38.2 | -15.9 | 0 | 0 | 0 | 119 | ||||
| 877 | D | 29.5 | Very low | 31.1 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -98.8 | 126 | 159.5 | -84.1 | -32.9 | 0 | 0 | 0 | 108.6 | ||||
| 878 | C | 32.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -104.2 | 119.4 | 173 | -55.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 879 | D | 28.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -69.3 | 142.5 | 160.3 | -80.8 | -42.7 | 0 | 0 | 0 | 110.1 | ||||
| 880 | N | 33.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -150.2 | 130.9 | 146.1 | -98.3 | -26 | 0 | 0 | 0 | 110.6 | ||||
| 881 | N | 28.5 | Very low | 30.8 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -52.6 | 153.6 | 172.8 | -65.3 | -50.1 | 0 | 0 | 0 | 111.3 | ||||
| 882 | E | 33.6 | Very low | 30.4 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | -149.3 | 134.2 | 90 | -90.9 | 174.8 | 179.4 | 0 | 0 | 113.5 | |||||
| 883 | S | 27.7 | Very low | 30.5 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | trans | -72.7 | 149.1 | 165.8 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 884 | F | 32.2 | Very low | 30.3 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -152.6 | 125.5 | 130.3 | -101.6 | -75.4 | 0 | 0 | 0 | 111.5 | ||||
| 885 | N | 28.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -46.9 | 173.7 | 164.3 | -81.4 | 14.2 | 0 | 0 | 0 | 113.8 | ||||
| 886 | D | 29.4 | Very low | 30 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 68% | 0.684 | 80% | 0.802 | S | S | * | * | cis | -167.2 | 150.2 | -0.8 | -108.7 | -40.7 | 0 | 0 | 0 | 101.3 | ||||
| 887 | S | 31.1 | Very low | 29.7 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | 164 | 138.4 | 87.4 | -53.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 888 | N | 27.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 152.5 | 167.8 | -75.5 | -33.4 | 0 | 0 | 0 | 112.3 | ||||
| 889 | S | 31.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -157.6 | 127.3 | 131.9 | 47 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 890 | E | 27.3 | Very low | 29.6 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -80 | 135.4 | 165.2 | -64.2 | 169.7 | 147.9 | 0 | 0 | 108.7 | ||||
| 891 | I | 32.6 | Very low | 29.3 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -145 | 117.9 | 153.7 | -63.4 | -173 | 0 | 0 | 0 | 109.2 | ||||
| 892 | E | 25.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -66.5 | 145.8 | 160 | -64.3 | 175.4 | 140 | 0 | 0 | 110.6 | ||||
| 893 | N | 31.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 179.1 | 117.8 | 133.6 | -90.9 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 894 | N | 28.8 | Very low | 29.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 27.9 | 121.4 | 134.2 | -69 | -28.2 | 0 | 0 | 0 | 123 | ||||
| 895 | S | 27 | Very low | 29.3 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 35 | 124.4 | 118.9 | 155.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 896 | V | 29.4 | Very low | 29.2 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | -175.5 | 147 | 121.6 | 151.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 897 | K | 26.6 | Very low | 29.4 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 152.9 | 179.2 | -62.6 | 173.4 | 171.6 | -177.9 | 0 | 113.8 | ||||
| 898 | S | 30.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 176.9 | 105.8 | 141 | 48.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 899 | D | 26.9 | Very low | 29 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | 46.6 | 105.2 | 92.3 | -73.2 | -17.9 | 0 | 0 | 0 | 113.7 | |||||
| 900 | E | 32.5 | Very low | 28.8 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | -168.7 | 129.3 | 129.8 | -102.9 | 169.3 | -166 | 0 | 0 | 111.1 | |||||
| 901 | S | 27.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -58.5 | 159.1 | 171.3 | 39.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 902 | E | 31.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | -169.9 | 143.9 | 67.2 | -81 | 176.4 | 162.5 | 0 | 0 | 111.8 | |||||
| 903 | E | 26.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | 43.1 | 116 | 140.5 | -59.7 | -171.5 | 155 | 0 | 0 | 122 | ||||
| 904 | V | 33.7 | Very low | 29 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | -151.7 | 102.9 | 116.4 | -176 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 905 | N | 29.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | 32.8 | 126.7 | 133.5 | -73.9 | -40.3 | 0 | 0 | 0 | 123.7 | ||||
| 906 | H | 27.7 | Very low | 29.5 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 98.4 | 132.3 | -90 | -66.7 | 0 | 0 | 0 | 120.5 | ||||
| 907 | V | 31.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | -146.2 | 116.5 | 119.3 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 908 | K | 26.1 | Very low | 30.3 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -80 | 160.6 | 168.4 | -76.8 | 176.7 | 174.4 | 175.5 | 0 | 109.5 | ||||
| 909 | S | 25.3 | Very low | 30.6 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 72.6 | 100.3 | 153.2 | 61.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 910 | N | 27.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 153.5 | 88.6 | 115.9 | -81.9 | -8.4 | 0 | 0 | 0 | 111.5 | |||||
| 911 | D | 29.7 | Very low | 31.8 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -118 | 38.8 | 167.6 | -80.1 | -26.1 | 0 | 0 | 0 | 111 | ||||
| 912 | N | 28.5 | Very low | 33 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | -125.1 | 79.2 | 172.7 | -76 | -26.4 | 0 | 0 | 0 | 108.2 | ||||
| 913 | D | 29.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -169 | 24.9 | 160.8 | -107.7 | -9.7 | 0 | 0 | 0 | 118 | ||||
| 914 | D | 33.3 | Very low | 35.7 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | trans | -104.6 | 22 | -177.7 | -79 | -16.4 | 0 | 0 | 0 | 115.4 | ||||
| 915 | N | 33.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -108.1 | 10 | -170.6 | -79.7 | -41 | 0 | 0 | 0 | 117 | ||||
| 916 | E | 32.3 | Very low | 40 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | trans | -90.7 | -5.3 | -169.9 | -67.1 | -158.6 | 148.3 | 0 | 0 | 117.4 | ||||
| 917 | D | 36.8 | Very low | 42.4 | Very low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | trans | -113.1 | 31 | -169.4 | -82.2 | -16.4 | 0 | 0 | 0 | 115.9 | K45 | K45-D917 IonicContact NZ-OD2 3.98Š| ||
| 918 | M | 36.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -88.2 | 133.3 | 167.5 | -75.7 | -61.7 | -60 | 0 | 0 | 109.9 | V920 | M918-V920 PolarHBondContact O-N 3.42Š|
| 919 | P | 35.6 | Very low | 47.6 | Very low | 105 Ų | 105 | 108 Ų | 108 | 68% | 0.682 | 59% | 0.591 | S | S | * | * | trans | -55.9 | 112.9 | 172.7 | -16.1 | 27.3 | 0 | 0 | 0 | 107.9 | E921 | P919-E921 PolarHBondContact O-N 3.44Š| ||
| 920 | V | 37.2 | Very low | 50.5 | Low | 122 Ų | 122 | 103.4 Ų | 103.4 | 74% | 0.739 | 56% | 0.558 | S | S | * | * | trans | -68.7 | 91.6 | 173.9 | -179 | 0 | 0 | 0 | 0 | 105.3 | M918 S922 | M918-V920 PolarHBondContact O-N 3.42Å; V920-S922 PolarHBondContact O-N 3.2Å | ||
| 921 | E | 48.4 | Very low | 53.3 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | trans | -52.5 | 115.6 | 165.6 | -77.5 | -179.4 | 177.1 | 0 | 0 | 106.2 | W529 P919 | W529-E921 PolarHBondContact NE1-OE2 3.3Å; P919-E921 PolarHBondContact O-N 3.44Å | ||
| 922 | S | 52.5 | Low | 56.1 | Low | 46 Ų | 46 | 90.5 Ų | 90.5 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | trans | -64.7 | 146.9 | 178.6 | 74.7 | 0 | 0 | 0 | 0 | 107.7 | V920 D924 D925 L926 | V920-S922 PolarHBondContact O-N 3.2Å; S922-D924 PolarHBondContact O-N 2.96Å; S922-D924 VanDerWaalsContact O-N 3.14Å; S922-D925 WeakPolarHBondContact CB-OD2 3.41Å; S922-D925 PolarHBondContact N-OD2 3.14Å; S922-D925 VanDerWaalsContact N-OD2 3.15Å; S922-D925 WeakPolarHBondContact O-CB 3.19Å; S922-D925 PolarHBondContact O-N 2.74Å; S922-D925 PolarHBondContact OG-N 3.28Å; S922-D925 PolarHBondContact OG-OD1 3.47Å; S922-D925 PolarHBondContact OG-OD2 3.21Å; S922-L926 PolarHBondContact O-N 3.22Å | ||
| 923 | K | 56.5 | Low | 59.1 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -24.6 | 179.7 | -71 | 179.5 | 175.8 | 175.2 | 0 | 111.7 | L926 T927 | K923-L926 PolarHBondContact O-N 2.94Å; K923-T927 PolarHBondContact O-N 2.92Å; K923-T927 PolarHBondContact O-OG1 3.46Å |
| 924 | D | 57.8 | Low | 62 | Low | 107 Ų | 107 | 76.3 Ų | 76.3 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.9 | -38 | 176.4 | -61.5 | -24.9 | 0 | 0 | 0 | 111.6 | S922 L926 T927 S928 | S922-D924 PolarHBondContact O-N 2.96Å; S922-D924 VanDerWaalsContact O-N 3.14Å; D924-L926 VanDerWaalsContact C-N 3.31Å; D924-L926 PolarHBondContact O-N 2.92Å; D924-T927 PolarHBondContact O-N 3.2Å; D924-S928 PolarHBondContact O-N 3.47Å |
| 925 | D | 72 | Confident | 64.7 | Low | 93 Ų | 93 | 68.4 Ų | 68.4 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 174.9 | -62 | -36.5 | 0 | 0 | 0 | 111.7 | S922 S928 L929 | S922-D925 WeakPolarHBondContact CB-OD2 3.41Å; S922-D925 PolarHBondContact N-OD2 3.14Å; S922-D925 VanDerWaalsContact N-OD2 3.15Å; S922-D925 WeakPolarHBondContact O-CB 3.19Å; S922-D925 PolarHBondContact O-N 2.74Å; S922-D925 PolarHBondContact OG-N 3.28Å; S922-D925 PolarHBondContact OG-OD1 3.47Å; S922-D925 PolarHBondContact OG-OD2 3.21Å; D925-S928 PolarHBondContact O-N 3.1Å; D925-L929 VanDerWaalsContact O-CB 3.25Å; D925-L929 WeakPolarHBondContact O-CB 3.4Å; D925-L929 PolarHBondContact O-N 3.18Å |
| 926 | L | 80.1 | Confident | 67.4 | Low | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.3 | -176.4 | 63.7 | 0 | 0 | 0 | 110.9 | L543 K581 S922 K923 D924 L929 L930 | L543-L926 HydrophobicContact CD2-CD1 4.07Å; L543-L926 HydrophobicContact CD2-CD2 4.43Å; K581-L926 HydrophobicContact CB-CD2 4.29Å; S922-L926 PolarHBondContact O-N 3.22Å; K923-L926 PolarHBondContact O-N 2.94Å; D924-L926 VanDerWaalsContact C-N 3.31Å; D924-L926 PolarHBondContact O-N 2.92Å; L926-L929 WeakPolarHBondContact O-CB 3.49Å; L926-L929 PolarHBondContact O-N 3.27Å; L926-L930 HydrophobicContact CD1-CG 4.46Å; L926-L930 HydrophobicContact CG-CD1 4.4Å; L926-L930 HydrophobicContact CG-CG 4.46Å; L926-L930 VanDerWaalsContact O-CG 3.28Å; L926-L930 WeakPolarHBondContact O-CG 3.35Å; L926-L930 PolarHBondContact O-N 2.91Å |
| 927 | T | 79.1 | Confident | 70.1 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | -179 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | K923 D924 L929 L930 N931 | K923-T927 PolarHBondContact O-N 2.92Å; K923-T927 PolarHBondContact O-OG1 3.46Å; D924-T927 PolarHBondContact O-N 3.2Å; T927-L929 VanDerWaalsContact C-N 3.33Å; T927-L929 PolarHBondContact O-N 3.15Å; T927-L930 PolarHBondContact O-N 3.21Å; T927-N931 PolarHBondContact O-N 3.29Å; T927-N931 PolarHBondContact O-ND2 3.39Å |
| 928 | S | 82.1 | Confident | 72.4 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 173.6 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | D924 D925 L930 N931 S932 | D924-S928 PolarHBondContact O-N 3.47Å; D925-S928 PolarHBondContact O-N 3.1Å; S928-L930 PolarHBondContact O-N 2.69Å; S928-N931 PolarHBondContact O-N 2.94Å; S928-S932 PolarHBondContact O-N 3.36Å |
| 929 | L | 84.7 | Confident | 74.6 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.6 | -178.4 | 65.9 | 0 | 0 | 0 | 112 | M528 F530 D925 L926 T927 N931 S932 | M528-L929 HydrophobicContact CE-CD1 3.63Å; M528-L929 HydrophobicContact CE-CG 4.23Å; M528-L929 HydrophobicContact CG-CD2 4.36Å; M528-L929 HydrophobicContact SD-CD1 3.91Å; M528-L929 HydrophobicContact SD-CD2 3.88Å; M528-L929 HydrophobicContact SD-CG 3.93Å; F530-L929 HydrophobicContact CE1-CD2 4.25Å; D925-L929 VanDerWaalsContact O-CB 3.25Å; D925-L929 WeakPolarHBondContact O-CB 3.4Å; D925-L929 PolarHBondContact O-N 3.18Å; L926-L929 WeakPolarHBondContact O-CB 3.49Å; L926-L929 PolarHBondContact O-N 3.27Å; T927-L929 VanDerWaalsContact C-N 3.33Å; T927-L929 PolarHBondContact O-N 3.15Å; L929-N931 PolarHBondContact O-N 2.78Å; L929-S932 PolarHBondContact O-N 3.03Å; L929-S932 PolarHBondContact O-OG 3Å |
| 930 | L | 86.3 | Confident | 77 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.5 | -64.3 | 179.4 | 0 | 0 | 0 | 111.2 | I537 L543 R693 L926 T927 S928 S932 L933 | I537-L930 HydrophobicContact CD1-CB 4.42Å; I537-L930 HydrophobicContact CD1-CD2 3.7Å; I537-L930 HydrophobicContact CG1-CD2 4Å; L543-L930 HydrophobicContact CB-CD1 4.14Å; L543-L930 HydrophobicContact CB-CD2 4.42Å; L543-L930 HydrophobicContact CD1-CD2 4.43Å; R693-L930 PolarHBondContact NH2-O 2.96Å; L926-L930 HydrophobicContact CD1-CG 4.46Å; L926-L930 HydrophobicContact CG-CD1 4.4Å; L926-L930 HydrophobicContact CG-CG 4.46Å; L926-L930 VanDerWaalsContact O-CG 3.28Å; L926-L930 WeakPolarHBondContact O-CG 3.35Å; L926-L930 PolarHBondContact O-N 2.91Å; T927-L930 PolarHBondContact O-N 3.21Å; S928-L930 PolarHBondContact O-N 2.69Å; L930-S932 PolarHBondContact O-N 3.09Å; L930-L933 WeakPolarHBondContact O-CB 3.38Å; L930-L933 PolarHBondContact O-N 2.97Å |
| 931 | N | 85.8 | Confident | 79.3 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -23.9 | -179.4 | -70 | -16.6 | 0 | 0 | 0 | 113.6 | N541 T927 S928 L929 L933 | N541-N931 PolarHBondContact ND2-OD1 3.38Å; T927-N931 PolarHBondContact O-N 3.29Å; T927-N931 PolarHBondContact O-ND2 3.39Å; S928-N931 PolarHBondContact O-N 2.94Å; L929-N931 PolarHBondContact O-N 2.78Å; N931-L933 PolarHBondContact O-N 2.88Å |
| 932 | S | 88.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.6 | 174 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | K680 L681 S928 L929 L930 | K680-S932 VanDerWaalsContact CD-OG 3.26Å; K680-S932 WeakPolarHBondContact CD-OG 3.15Å; K680-S932 WeakPolarHBondContact CE-OG 3.48Å; K680-S932 PolarHBondContact NZ-OG 3.47Å; L681-S932 PolarHBondContact N-O 3.4Å; S928-S932 PolarHBondContact O-N 3.36Å; L929-S932 PolarHBondContact O-N 3.03Å; L929-S932 PolarHBondContact O-OG 3Å; L930-S932 PolarHBondContact O-N 3.09Å |
| 933 | L | 91.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.8 | -177.6 | -60.1 | 176.2 | 0 | 0 | 0 | 110.9 | M528 I537 M678 F679 K680 R693 L930 N931 I947 | M528-L933 HydrophobicContact CE-CD1 3.91Å; M528-L933 HydrophobicContact CE-CD2 3.84Å; M528-L933 HydrophobicContact CE-CG 4.21Å; M528-L933 HydrophobicContact SD-CD1 3.92Å; I537-L933 HydrophobicContact CD1-CB 4.42Å; I537-L933 HydrophobicContact CD1-CD1 4.19Å; M678-L933 HydrophobicContact CE-CB 3.65Å; M678-L933 HydrophobicContact CE-CD1 3.59Å; M678-L933 HydrophobicContact CE-CG 4.12Å; M678-L933 HydrophobicContact CG-CB 4.12Å; M678-L933 HydrophobicContact SD-CB 3.76Å; F679-L933 WeakPolarHBondContact O-CA 3.43Å; K680-L933 HydrophobicContact CB-CD2 3.8Å; K680-L933 HydrophobicContact CD-CD2 3.77Å; K680-L933 HydrophobicContact CG-CD2 4.36Å; R693-L933 PolarHBondContact NH1-O 3.09Å; R693-L933 PolarHBondContact NH2-O 3.27Å; L930-L933 WeakPolarHBondContact O-CB 3.38Å; L930-L933 PolarHBondContact O-N 2.97Å; N931-L933 PolarHBondContact O-N 2.88Å; L933-I947 HydrophobicContact CD1-CD1 4.27Å; L933-I947 HydrophobicContact CD2-CD1 3.49Å; L933-I947 VanDerWaalsContact CD2-CD1 3.49Å |
| 934 | T | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.4 | 179.9 | -178 | 0 | 0 | 0 | 0 | 112.8 | M678 F679 L681 H689 E692 Q936 | M678-T934 CarbonylContact C-O 3.58Å; M678-T934 WeakPolarHBondContact CA-O 3.38Å; M678-T934 VanDerWaalsContact CG-C 3.43Å; M678-T934 WeakPolarHBondContact CG-O 3.47Å; F679-T934 PolarHBondContact N-O 3.31Å; F679-T934 PolarHBondContact O-N 3.45Å; L681-T934 HydrophobicContact CD1-CG2 3.84Å; L681-T934 HydrophobicContact CD2-CG2 3.78Å; L681-T934 HydrophobicContact CG-CG2 3.83Å; H689-T934 PolarHBondContact ND1-OG1 2.87Å; E692-T934 WeakPolarHBondContact OE2-CB 3.5Å; E692-T934 PolarHBondContact OE2-OG1 3.14Å; T934-Q936 PolarHBondContact OG1-N 2.94Å |
| 935 | G | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -91.7 | -5.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y959 K960 | G935-Y959 WeakPolarHBondContact O-CA 3.18Å; G935-K960 PolarHBondContact O-N 3.08Å |
| 936 | Q | 89.5 | Confident | 86.3 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -127.8 | 66.5 | -174.1 | -64.2 | -174.2 | -17.7 | 0 | 0 | 110.4 | H689 E692 T934 N938 K958 | H689-Q936 PolarHBondContact CE1-O 3.34Å; H689-Q936 VanDerWaalsContact CE1-O 3.31Å; E692-Q936 WeakPolarHBondContact OE1-CG 3.26Å; T934-Q936 PolarHBondContact OG1-N 2.94Å; Q936-N938 PolarHBondContact O-N 3.01Å; Q936-K958 WeakPolarHBondContact CG-O 3.47Å; Q936-K958 PolarHBondContact NE2-O 3.44Å |
| 937 | P | 89 | Confident | 86.9 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | trans | -62.2 | 133.3 | 176.9 | 30.1 | -37 | 0 | 0 | 0 | 110.6 | F679 L943 K960 E993 | F679-P937 HydrophobicContact CD2-CB 4.18Å; F679-P937 HydrophobicContact CD2-CG 3.65Å; F679-P937 HydrophobicContact CE2-CG 3.73Å; F679-P937 HydrophobicContact CG-CG 4.49Å; P937-L943 HydrophobicContact CB-CD1 3.98Å; P937-L943 HydrophobicContact CB-CD2 3.78Å; P937-L943 HydrophobicContact CB-CG 4.5Å; P937-K960 HydrophobicContact CG-CD 4.34Å; P937-E993 VanDerWaalsContact CG-OE1 3.31Å; P937-E993 WeakPolarHBondContact CG-OE1 3.3Å | ||
| 938 | N | 86.2 | Confident | 87.6 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | trans | -83 | 158.6 | 168.6 | -58.3 | -45.4 | 0 | 0 | 0 | 109.8 | H689 Q936 D940 D941 | H689-N938 PolarHBondContact CE1-ND2 3.19Å; H689-N938 PolarHBondContact NE2-ND2 2.98Å; Q936-N938 PolarHBondContact O-N 3.01Å; N938-D940 PolarHBondContact O-N 3.24Å; N938-D941 WeakPolarHBondContact CA-OD2 3.32Å; N938-D941 VanDerWaalsContact CB-OD2 3.31Å; N938-D941 WeakPolarHBondContact CB-OD2 3.31Å; N938-D941 PolarHBondContact N-OD2 3.07Å; N938-D941 PolarHBondContact O-N 3.3Å | ||
| 939 | D | 82.8 | Confident | 88.1 | Confident | 132 Ų | 132 | 38.2 Ų | 38.2 | 71% | 0.706 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.9 | -177.5 | -67.8 | -27.8 | 0 | 0 | 0 | 113.1 | ||
| 940 | D | 84.9 | Confident | 88.6 | Confident | 137 Ų | 137 | 36.1 Ų | 36.1 | 73% | 0.733 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 4.9 | 179.7 | -62.8 | -31.6 | 0 | 0 | 0 | 114 | N938 | N938-D940 PolarHBondContact O-N 3.24Š|
| 941 | D | 86.6 | Confident | 89 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | trans | -84.8 | 140.7 | -177.6 | -67.3 | -31.1 | 0 | 0 | 0 | 112.6 | L681 H689 N938 L943 | L681-D941 HydrophobicContact CD2-CB 3.89Å; H689-D941 IonicContact CD2-OD2 2.85Å; H689-D941 IonicContact CE1-OD2 2.83Å; H689-D941 PolarHBondContact CE1-OD2 3.24Å; H689-D941 VanDerWaalsContact CE1-OD2 3.27Å; H689-D941 VanDerWaalsContact NE2-CG 3.31Å; H689-D941 IonicContact NE2-OD1 2.7Å; H689-D941 PolarHBondContact NE2-OD1 3.34Å; H689-D941 IonicContact NE2-OD2 3.49Å; H689-D941 PolarHBondContact NE2-OD2 3.4Å; N938-D941 WeakPolarHBondContact CA-OD2 3.32Å; N938-D941 VanDerWaalsContact CB-OD2 3.31Å; N938-D941 WeakPolarHBondContact CB-OD2 3.31Å; N938-D941 PolarHBondContact N-OD2 3.07Å; N938-D941 PolarHBondContact O-N 3.3Å; D941-L943 HydrophobicContact CB-CD2 3.93Å; D941-L943 PolarHBondContact O-N 3.08Å | ||
| 942 | L | 84.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 33.8 Ų | 33.8 | 52% | 0.524 | 18% | 0.175 | S | C | . | . | trans | -83.7 | 96.8 | 172.2 | -68.1 | 175.5 | 0 | 0 | 0 | 110 | H682 S685 | H682-L942 HydrophobicContact CB-CB 3.62Å; H682-L942 HydrophobicContact CB-CD1 4.39Å; H682-L942 PolarHBondContact N-O 3.37Å; S685-L942 PolarHBondContact OG-N 2.73Å; S685-L942 VanDerWaalsContact OG-N 3.13Å | ||
| 943 | L | 86.2 | Confident | 89.6 | Confident | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.1 | -179.7 | -51 | -177.5 | 0 | 0 | 0 | 111.7 | F679 L681 P937 D941 R992 E993 L996 | F679-L943 HydrophobicContact CB-CD2 4.02Å; F679-L943 HydrophobicContact CD1-CD1 3.92Å; F679-L943 HydrophobicContact CE1-CD1 4.24Å; F679-L943 HydrophobicContact CG-CD1 4.2Å; F679-L943 HydrophobicContact CG-CD2 4.44Å; L681-L943 HydrophobicContact CD2-CD2 3.76Å; P937-L943 HydrophobicContact CB-CD1 3.98Å; P937-L943 HydrophobicContact CB-CD2 3.78Å; P937-L943 HydrophobicContact CB-CG 4.5Å; D941-L943 HydrophobicContact CB-CD2 3.93Å; D941-L943 PolarHBondContact O-N 3.08Å; L943-R992 PolarHBondContact O-NE 2.95Å; L943-R992 PolarHBondContact O-NH2 2.86Å; L943-E993 HydrophobicContact CD1-CG 3.9Å; L943-L996 HydrophobicContact CB-CD1 3.55Å; L943-L996 HydrophobicContact CD1-CD1 4.42Å |
| 944 | L | 84.6 | Confident | 89.6 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -57.9 | 177.8 | -67.3 | -179.7 | 0 | 0 | 0 | 111.7 | K680 H682 L996 | K680-L944 HydrophobicContact CB-CB 4.44Å; K680-L944 HydrophobicContact CG-CB 4.27Å; K680-L944 HydrophobicContact CG-CD1 4.05Å; K680-L944 PolarHBondContact O-N 3.44Å; H682-L944 HydrophobicContact CB-CG 4.49Å; L944-L996 WeakPolarHBondContact O-CD2 3.47Å |
| 945 | Y | 87.5 | Confident | 89.7 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 162.5 | -179.7 | 55.8 | -103.3 | 0 | 0 | 0 | 112.7 | R525 M528 F679 K680 I947 | R525-Y945 VanDerWaalsContact CD-CD2 3.45Å; R525-Y945 VanDerWaalsContact CD-CE2 3.47Å; R525-Y945 HydrophobicContact CG-CD1 4.03Å; R525-Y945 HydrophobicContact CG-CD2 4.4Å; R525-Y945 HydrophobicContact CG-CE1 3.81Å; R525-Y945 HydrophobicContact CG-CE2 4.2Å; R525-Y945 HydrophobicContact CG-CG 4.3Å; R525-Y945 VanDerWaalsContact CZ-CD2 3.44Å; R525-Y945 VanDerWaalsContact NH1-CD2 3.29Å; M528-Y945 WeakPolarHBondContact CE-OH 3.24Å; F679-Y945 WeakPolarHBondContact CA-O 3.29Å; K680-Y945 HydrophobicContact CB-CD1 4.24Å; K680-Y945 HydrophobicContact CB-CD2 3.86Å; K680-Y945 HydrophobicContact CB-CE1 3.89Å; K680-Y945 HydrophobicContact CB-CE2 3.46Å; K680-Y945 VanDerWaalsContact CB-CE2 3.46Å; K680-Y945 HydrophobicContact CB-CG 4.24Å; K680-Y945 VanDerWaalsContact CB-CZ 3.49Å; K680-Y945 HydrophobicContact CG-CD1 4.47Å; K680-Y945 HydrophobicContact CG-CE1 3.8Å; K680-Y945 HydrophobicContact CG-CE2 4.14Å; K680-Y945 PolarHBondContact N-O 3.48Å; Y945-I947 HydrophobicContact CD2-CD1 4.36Å; Y945-I947 HydrophobicContact CD2-CG1 3.91Å; Y945-I947 HydrophobicContact CE2-CD1 3.75Å; Y945-I947 HydrophobicContact CE2-CG1 3.81Å |
| 946 | A | 90.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 149 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R525 I677 M678 F679 L996 M1000 | R525-A946 PolarHBondContact NH1-O 2.78Å; R525-A946 VanDerWaalsContact NH1-O 3.12Å; I677-A946 HydrophobicContact CG2-CB 3.82Å; M678-A946 CarbonylContact O-C 3.6Å; M678-A946 WeakPolarHBondContact O-CA 3.29Å; F679-A946 HydrophobicContact CD1-CB 3.97Å; F679-A946 HydrophobicContact CE1-CB 3.8Å; A946-L996 HydrophobicContact CB-CB 4.04Å; A946-M1000 HydrophobicContact CB-CG 4.22Å; A946-M1000 HydrophobicContact CB-SD 3.87Å |
| 947 | I | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.1 | -178.9 | -34.4 | -178.4 | 0 | 0 | 0 | 109.9 | R525 W535 I677 M678 L933 Y945 | R525-I947 VanDerWaalsContact NH2-CD1 3.3Å; W535-I947 HydrophobicContact CH2-CG2 4.27Å; W535-I947 HydrophobicContact CZ2-CG2 3.71Å; I677-I947 WeakPolarHBondContact CA-O 3.47Å; M678-I947 PolarHBondContact N-O 2.8Å; M678-I947 PolarHBondContact O-N 2.91Å; L933-I947 HydrophobicContact CD1-CD1 4.27Å; L933-I947 HydrophobicContact CD2-CD1 3.49Å; L933-I947 VanDerWaalsContact CD2-CD1 3.49Å; Y945-I947 HydrophobicContact CD2-CD1 4.36Å; Y945-I947 HydrophobicContact CD2-CG1 3.91Å; Y945-I947 HydrophobicContact CE2-CD1 3.75Å; Y945-I947 HydrophobicContact CE2-CG1 3.81Å |
| 948 | P | 93.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.2 | 174.6 | 28.7 | -30.6 | 0 | 0 | 0 | 111.1 | F675 M1000 V1005 N1008 | F675-P948 HydrophobicContact CE2-CB 3.73Å; F675-P948 HydrophobicContact CZ-CB 4.21Å; P948-M1000 HydrophobicContact CG-SD 4.47Å; P948-V1005 HydrophobicContact CB-CB 4.36Å; P948-V1005 HydrophobicContact CB-CG1 4.2Å; P948-V1005 HydrophobicContact CB-CG2 4.04Å; P948-V1005 HydrophobicContact CG-CG2 4.05Å; P948-N1008 PolarHBondContact O-ND2 3.22Å |
| 949 | V | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.6 | 178 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | W535 F536 G676 M678 A951 | W535-V949 HydrophobicContact CH2-CG2 3.81Å; W535-V949 HydrophobicContact CZ2-CG2 4Å; W535-V949 HydrophobicContact CZ3-CG2 4.38Å; F536-V949 HydrophobicContact CB-CG1 4.03Å; G676-V949 PolarHBondContact N-O 2.97Å; G676-V949 PolarHBondContact O-N 2.95Å; M678-V949 HydrophobicContact CB-CG2 3.98Å; M678-V949 HydrophobicContact CE-CG2 4.07Å; V949-A951 HydrophobicContact CG1-CB 4.31Å |
| 950 | C | 94.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.8 | 167.3 | -69.1 | 0 | 0 | 0 | 0 | 108.4 | Y673 G674 N1008 | Y673-C950 HydrophobicContact CD1-CB 4.43Å; Y673-C950 HydrophobicContact CE1-CB 3.58Å; Y673-C950 PolarHBondContact OH-O 3.04Å; Y673-C950 VanDerWaalsContact OH-O 3.06Å; G674-C950 VanDerWaalsContact O-CA 3.26Å; G674-C950 WeakPolarHBondContact O-CA 3.43Å; C950-N1008 HydrophobicContact CB-CB 4.48Å; C950-N1008 VanDerWaalsContact CB-O 3.24Å; C950-N1008 WeakPolarHBondContact CB-O 3.33Å; C950-N1008 VanDerWaalsContact SG-C 3.58Å; C950-N1008 PolarHBondContact SG-O 2.66Å |
| 951 | A | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 165.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F536 Y673 G674 V949 Y953 V955 L956 | F536-A951 HydrophobicContact CB-CB 3.47Å; F536-A951 VanDerWaalsContact CB-CB 3.47Å; F536-A951 HydrophobicContact CD1-CB 4.44Å; F536-A951 HydrophobicContact CD2-CB 4.01Å; F536-A951 HydrophobicContact CG-CB 3.74Å; Y673-A951 VanDerWaalsContact CD2-C 3.42Å; Y673-A951 WeakPolarHBondContact CD2-O 3.46Å; G674-A951 PolarHBondContact N-O 2.85Å; G674-A951 PolarHBondContact O-N 2.87Å; G674-A951 VanDerWaalsContact O-N 3.11Å; V949-A951 HydrophobicContact CG1-CB 4.31Å; A951-Y953 PolarHBondContact O-N 3.29Å; A951-V955 HydrophobicContact CB-CB 4.21Å; A951-V955 HydrophobicContact CB-CG1 4.35Å; A951-L956 HydrophobicContact CB-CD1 4.32Å; A951-L956 HydrophobicContact CB-CD2 4.15Å; A951-L956 HydrophobicContact CB-CG 4.05Å |
| 952 | P | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 137.2 | 166.4 | -25 | 34.3 | 0 | 0 | 0 | 110.7 | F536 E614 N617 D672 Y673 S954 V955 | F536-P952 HydrophobicContact CE1-CG 4.36Å; F536-P952 HydrophobicContact CE2-CG 4.43Å; F536-P952 HydrophobicContact CZ-CG 4.08Å; E614-P952 HydrophobicContact CB-CG 4.15Å; E614-P952 WeakPolarHBondContact O-CG 3.4Å; N617-P952 HydrophobicContact CB-CB 4.22Å; N617-P952 HydrophobicContact CB-CG 3.99Å; D672-P952 CarbonylContact O-C 3.31Å; D672-P952 VanDerWaalsContact O-CA 3.3Å; D672-P952 WeakPolarHBondContact O-CA 3.44Å; Y673-P952 HydrophobicContact CE2-CG 4.42Å; P952-S954 PolarHBondContact O-N 2.91Å; P952-S954 VanDerWaalsContact O-N 3.08Å; P952-V955 HydrophobicContact CB-CG2 4.44Å; P952-V955 WeakPolarHBondContact O-CB 3.49Å; P952-V955 PolarHBondContact O-N 3.42Å |
| 953 | Y | 93.2 | Very high | 91.3 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -28.1 | -171.4 | -169.1 | -110.7 | 0 | 0 | 0 | 112.1 | D672 A951 V955 L956 L957 K964 | D672-Y953 PolarHBondContact O-N 2.94Å; A951-Y953 PolarHBondContact O-N 3.29Å; Y953-V955 VanDerWaalsContact C-N 3.27Å; Y953-V955 PolarHBondContact O-N 3.46Å; Y953-L956 PolarHBondContact O-N 2.99Å; Y953-L956 VanDerWaalsContact O-N 3.13Å; Y953-L957 HydrophobicContact CD1-CD2 4.02Å; Y953-L957 HydrophobicContact CE1-CD2 3.56Å; Y953-L957 WeakPolarHBondContact O-CG 3.26Å; Y953-L957 PolarHBondContact O-N 3.47Å; Y953-L957 VanDerWaalsContact O-N 3.14Å; Y953-K964 HydrophobicContact CD1-CD 4.44Å; Y953-K964 HydrophobicContact CD2-CB 4Å; Y953-K964 HydrophobicContact CD2-CG 4.14Å; Y953-K964 HydrophobicContact CE2-CB 3.79Å; Y953-K964 HydrophobicContact CE2-CG 4.37Å; Y953-K964 HydrophobicContact CG-CG 4.32Å |
| 954 | S | 91.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 34% | 0.343 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -55.3 | -37.1 | 173.7 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | E614 P952 | E614-S954 PolarHBondContact OE1-OG 2.86Å; P952-S954 PolarHBondContact O-N 2.91Å; P952-S954 VanDerWaalsContact O-N 3.08Å |
| 955 | V | 92.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.6 | -44.5 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F536 I537 E614 A951 P952 Y953 L957 Y959 | F536-V955 HydrophobicContact CD2-CG1 4.43Å; F536-V955 HydrophobicContact CD2-CG2 4.06Å; F536-V955 HydrophobicContact CE2-CG2 3.94Å; I537-V955 WeakPolarHBondContact O-CG1 3.26Å; E614-V955 HydrophobicContact CB-CG2 4.47Å; E614-V955 HydrophobicContact CG-CG2 3.99Å; E614-V955 WeakPolarHBondContact OE1-CG2 3.39Å; E614-V955 VanDerWaalsContact OE2-CG2 3.29Å; E614-V955 WeakPolarHBondContact OE2-CG2 3.43Å; A951-V955 HydrophobicContact CB-CB 4.21Å; A951-V955 HydrophobicContact CB-CG1 4.35Å; P952-V955 HydrophobicContact CB-CG2 4.44Å; P952-V955 WeakPolarHBondContact O-CB 3.49Å; P952-V955 PolarHBondContact O-N 3.42Å; Y953-V955 VanDerWaalsContact C-N 3.27Å; Y953-V955 PolarHBondContact O-N 3.46Å; V955-L957 PolarHBondContact O-N 2.96Å; V955-Y959 HydrophobicContact CG1-CE1 4.32Å |
| 956 | L | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.6 | -10.8 | -174.6 | -61.5 | 175.7 | 0 | 0 | 0 | 113.2 | G674 A951 Y953 K958 Y959 R962 | G674-L956 WeakPolarHBondContact O-CD1 3.35Å; A951-L956 HydrophobicContact CB-CD1 4.32Å; A951-L956 HydrophobicContact CB-CD2 4.15Å; A951-L956 HydrophobicContact CB-CG 4.05Å; Y953-L956 PolarHBondContact O-N 2.99Å; Y953-L956 VanDerWaalsContact O-N 3.13Å; L956-K958 PolarHBondContact O-N 3.26Å; L956-K958 VanDerWaalsContact O-N 3.07Å; L956-Y959 HydrophobicContact CD2-CD1 3.88Å; L956-Y959 HydrophobicContact CD2-CD2 4.07Å; L956-Y959 HydrophobicContact CD2-CE1 3.99Å; L956-Y959 HydrophobicContact CD2-CE2 4.18Å; L956-Y959 HydrophobicContact CD2-CG 3.93Å; L956-Y959 WeakPolarHBondContact O-CB 3.25Å; L956-Y959 PolarHBondContact O-N 3.31Å; L956-R962 HydrophobicContact CB-CB 4.39Å; L956-R962 WeakPolarHBondContact O-CD 3.27Å |
| 957 | L | 89.5 | Confident | 92.2 | Very high | 89 Ų | 89 | 26.2 Ų | 26.2 | 47% | 0.466 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.5 | 176.3 | -72.3 | 177.1 | 0 | 0 | 0 | 114.1 | Y953 V955 R962 | Y953-L957 HydrophobicContact CD1-CD2 4.02Å; Y953-L957 HydrophobicContact CE1-CD2 3.56Å; Y953-L957 WeakPolarHBondContact O-CG 3.26Å; Y953-L957 PolarHBondContact O-N 3.47Å; Y953-L957 VanDerWaalsContact O-N 3.14Å; V955-L957 PolarHBondContact O-N 2.96Å; L957-R962 VanDerWaalsContact C-NH1 3.27Å; L957-R962 VanDerWaalsContact O-CZ 3.23Å; L957-R962 PolarHBondContact O-NH1 3.1Å; L957-R962 PolarHBondContact O-NH2 3.37Å |
| 958 | K | 86.1 | Confident | 92.1 | Very high | 76 Ų | 76 | 27.6 Ų | 27.6 | 33% | 0.33 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -25.8 | 172.5 | -70.7 | -176.4 | 175.9 | -178.2 | 0 | 112.6 | E692 Q936 L956 | E692-K958 PolarHBondContact O-NZ 3.31Å; Q936-K958 WeakPolarHBondContact CG-O 3.47Å; Q936-K958 PolarHBondContact NE2-O 3.44Å; L956-K958 PolarHBondContact O-N 3.26Å; L956-K958 VanDerWaalsContact O-N 3.07Å |
| 959 | Y | 91.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | trans | -69.8 | 139.5 | -171 | -73.8 | 57.9 | 0 | 0 | 0 | 112 | I677 M678 G935 V955 L956 R962 | I677-Y959 WeakPolarHBondContact O-CD2 3.32Å; M678-Y959 HydrophobicContact CB-CE2 3.99Å; M678-Y959 HydrophobicContact CG-CE2 4.05Å; M678-Y959 HydrophobicContact SD-CE2 4.26Å; M678-Y959 PolarHBondContact SD-OH 3.26Å; G935-Y959 WeakPolarHBondContact O-CA 3.18Å; V955-Y959 HydrophobicContact CG1-CE1 4.32Å; L956-Y959 HydrophobicContact CD2-CD1 3.88Å; L956-Y959 HydrophobicContact CD2-CD2 4.07Å; L956-Y959 HydrophobicContact CD2-CE1 3.99Å; L956-Y959 HydrophobicContact CD2-CE2 4.18Å; L956-Y959 HydrophobicContact CD2-CG 3.93Å; L956-Y959 WeakPolarHBondContact O-CB 3.25Å; L956-Y959 PolarHBondContact O-N 3.31Å; Y959-R962 PolarHBondContact O-NH1 2.91Å | ||
| 960 | K | 90.8 | Very high | 91.7 | Very high | 72 Ų | 72 | 36 Ų | 36 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -63.2 | -49.9 | 173.7 | -177.4 | 177.5 | 178.8 | -177.8 | 0 | 110.8 | G935 P937 S988 E993 | G935-K960 PolarHBondContact O-N 3.08Å; P937-K960 HydrophobicContact CG-CD 4.34Å; K960-S988 PolarHBondContact NZ-O 2.88Å; K960-E993 VanDerWaalsContact NZ-CD 3.29Å; K960-E993 IonicContact NZ-OE1 3.83Å; K960-E993 PolarHBondContact NZ-OE1 3.44Å; K960-E993 IonicContact NZ-OE2 3.94Å; K960-E993 PolarHBondContact NZ-OE2 3.37Å |
| 961 | F | 92.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -98.7 | 107.5 | 177.1 | -59 | -70.9 | 0 | 0 | 0 | 110.4 | G676 I677 F679 F983 T989 E993 I997 | G676-F961 WeakPolarHBondContact CA-O 3.31Å; I677-F961 HydrophobicContact CB-CB 4.09Å; I677-F961 HydrophobicContact CG1-CB 4.34Å; I677-F961 PolarHBondContact N-O 3.04Å; F679-F961 AromaticContact CE2-CD2 3.75Å; F679-F961 HydrophobicContact CE2-CD2 3.75Å; F679-F961 AromaticContact CE2-CE2 3.75Å; F679-F961 HydrophobicContact CE2-CE2 3.75Å; F679-F961 AromaticContact CZ-CD2 3.98Å; F679-F961 HydrophobicContact CZ-CD2 3.98Å; F679-F961 AromaticContact CZ-CE2 3.75Å; F679-F961 HydrophobicContact CZ-CE2 3.75Å; F961-F983 HydrophobicContact CB-CD1 3.98Å; F961-F983 HydrophobicContact CB-CD2 4.21Å; F961-F983 HydrophobicContact CB-CE1 4.02Å; F961-F983 HydrophobicContact CB-CE2 4.21Å; F961-F983 HydrophobicContact CB-CG 4.08Å; F961-F983 HydrophobicContact CB-CZ 4.13Å; F961-F983 HydrophobicContact CD1-CB 3.84Å; F961-F983 AromaticContact CD1-CD1 3.93Å; F961-F983 HydrophobicContact CD1-CD1 3.93Å; F961-F983 AromaticContact CD1-CG 3.98Å; F961-F983 HydrophobicContact CD1-CG 3.98Å; F961-F983 HydrophobicContact CE1-CB 4.43Å; F961-F983 HydrophobicContact CG-CD1 4.43Å; F961-F983 HydrophobicContact CG-CG 4.37Å; F961-T989 HydrophobicContact CE1-CG2 4.16Å; F961-T989 WeakPolarHBondContact CE1-OG1 3.48Å; F961-T989 HydrophobicContact CZ-CG2 3.9Å; F961-E993 HydrophobicContact CE2-CB 4.48Å; F961-E993 HydrophobicContact CE2-CG 4.37Å; F961-E993 HydrophobicContact CZ-CB 4.38Å; F961-I997 HydrophobicContact CD1-CD1 4.49Å; F961-I997 HydrophobicContact CD2-CD1 4.39Å; F961-I997 HydrophobicContact CE1-CD1 4.31Å; F961-I997 HydrophobicContact CE2-CD1 4.21Å; F961-I997 HydrophobicContact CZ-CD1 4.17Å |
| 962 | R | 93.3 | Very high | 91.4 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.7 | 179.1 | 69.4 | -174.4 | -177.4 | -128.2 | 16.9 | 113.7 | F675 L956 L957 Y959 | F675-R962 CarbonylContact O-C 3.59Å; F675-R962 VanDerWaalsContact O-CA 3.3Å; F675-R962 WeakPolarHBondContact O-CA 2.98Å; L956-R962 HydrophobicContact CB-CB 4.39Å; L956-R962 WeakPolarHBondContact O-CD 3.27Å; L957-R962 VanDerWaalsContact C-NH1 3.27Å; L957-R962 VanDerWaalsContact O-CZ 3.23Å; L957-R962 PolarHBondContact O-NH1 3.1Å; L957-R962 PolarHBondContact O-NH2 3.37Å; Y959-R962 PolarHBondContact O-NH1 2.91Å |
| 963 | V | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.7 | 171.4 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | G674 F675 F983 L1015 | G674-V963 CarbonylContact C-O 3.14Å; G674-V963 VanDerWaalsContact CA-O 3.22Å; G674-V963 WeakPolarHBondContact CA-O 3.34Å; F675-V963 PolarHBondContact N-O 2.87Å; F675-V963 PolarHBondContact O-N 2.61Å; V963-F983 HydrophobicContact CB-CZ 4.5Å; V963-F983 HydrophobicContact CG2-CE1 3.71Å; V963-F983 HydrophobicContact CG2-CZ 3.82Å; V963-L1015 HydrophobicContact CG1-CB 4.02Å; V963-L1015 HydrophobicContact CG1-CD2 3.87Å; V963-L1015 HydrophobicContact CG1-CG 4.43Å |
| 964 | K | 93.6 | Very high | 91 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.1 | 175 | -171.7 | 170.9 | -178.3 | 170.6 | 0 | 110.1 | D672 Y953 T1016 | D672-K964 WeakPolarHBondContact OD1-CE 3.35Å; D672-K964 IonicContact OD1-NZ 2.99Å; D672-K964 PolarHBondContact OD1-NZ 2.76Å; Y953-K964 HydrophobicContact CD1-CD 4.44Å; Y953-K964 HydrophobicContact CD2-CB 4Å; Y953-K964 HydrophobicContact CD2-CG 4.14Å; Y953-K964 HydrophobicContact CE2-CB 3.79Å; Y953-K964 HydrophobicContact CE2-CG 4.37Å; Y953-K964 HydrophobicContact CG-CG 4.32Å; K964-T1016 PolarHBondContact N-O 3.21Å; K964-T1016 PolarHBondContact O-N 3.1Å |
| 965 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.6 | 175.7 | -59.1 | -177.2 | 0 | 0 | 0 | 108.9 | W626 Y673 F675 F1009 V1013 L1015 | W626-L965 HydrophobicContact CH2-CB 4.36Å; Y673-L965 HydrophobicContact CD1-CD1 4.11Å; Y673-L965 PolarHBondContact O-N 3.11Å; F675-L965 HydrophobicContact CB-CD1 4.08Å; F675-L965 HydrophobicContact CB-CD2 4.19Å; F675-L965 HydrophobicContact CB-CG 4.22Å; L965-F1009 HydrophobicContact CD1-CD1 3.99Å; L965-F1009 HydrophobicContact CD1-CE1 4.03Å; L965-F1009 HydrophobicContact CD2-CD1 4.25Å; L965-F1009 HydrophobicContact CD2-CE1 3.68Å; L965-V1013 HydrophobicContact CD2-CG2 4.35Å; L965-L1015 HydrophobicContact CD2-CD2 3.37Å |
| 966 | N | 91.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 157.3 | 168.4 | -66.1 | -36.8 | 0 | 0 | 0 | 108.8 | W626 V1013 K1014 T1016 | W626-N966 VanDerWaalsContact CZ2-C 3.45Å; N966-V1013 CarbonylContact O-C 3.52Å; N966-V1013 WeakPolarHBondContact O-CA 3.38Å; N966-K1014 PolarHBondContact N-O 3.41Å; N966-K1014 PolarHBondContact O-N 3.13Å; N966-T1016 PolarHBondContact ND2-OG1 3.14Å |
| 967 | P | 90.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 14% | 0.143 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 143.1 | 171.5 | -16 | 26.2 | 0 | 0 | 0 | 110.7 | W626 H629 | W626-P967 HydrophobicContact CD2-CB 4.21Å; W626-P967 HydrophobicContact CD2-CG 3.82Å; W626-P967 HydrophobicContact CE3-CG 3.87Å; W626-P967 HydrophobicContact CG-CG 4.45Å; W626-P967 HydrophobicContact CH2-CG 4.05Å; W626-P967 HydrophobicContact CZ2-CB 4.16Å; W626-P967 HydrophobicContact CZ2-CG 3.96Å; W626-P967 VanDerWaalsContact CZ2-N 3.35Å; W626-P967 HydrophobicContact CZ3-CG 4.01Å; W626-P967 VanDerWaalsContact O-CB 3.3Å; W626-P967 WeakPolarHBondContact O-CB 3.3Å; W626-P967 WeakPolarHBondContact O-CG 3.37Å; H629-P967 VanDerWaalsContact CE1-CB 3.42Å; H629-P967 WeakPolarHBondContact CE1-CB 3.5Å |
| 968 | G | 88.8 | Confident | 90.9 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | -173 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | C1012 | G968-C1012 CarbonylContact O-C 3.59Å; G968-C1012 VanDerWaalsContact O-C 3.25Å; G968-C1012 WeakPolarHBondContact O-CB 3.26Å |
| 969 | T | 89.1 | Confident | 91.2 | Very high | 136 Ų | 136 | 55.8 Ų | 55.8 | 83% | 0.834 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | -6.8 | -171.3 | 56 | 0 | 0 | 0 | 0 | 114.4 | K971 | T969-K971 PolarHBondContact O-N 3.35Å |
| 970 | T | 90.8 | Very high | 91.2 | Very high | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123.6 | -176.6 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | K974 A975 C1012 V1013 | T970-K974 HydrophobicContact CG2-CB 3.93Å; T970-K974 HydrophobicContact CG2-CD 4.15Å; T970-K974 HydrophobicContact CG2-CG 4.13Å; T970-A975 HydrophobicContact CG2-CB 4.24Å; T970-C1012 WeakPolarHBondContact O-CA 3.11Å; T970-V1013 WeakPolarHBondContact CB-O 3.35Å; T970-V1013 PolarHBondContact N-O 3.07Å; T970-V1013 PolarHBondContact O-N 3.16Å |
| 971 | K | 90.8 | Very high | 91.1 | Very high | 164 Ų | 164 | 59.6 Ų | 59.6 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | trans | -58.5 | 139 | 176 | -63.1 | -173.7 | 178.3 | -174.3 | 0 | 111 | T969 G973 K974 A975 | T969-K971 PolarHBondContact O-N 3.35Å; K971-G973 PolarHBondContact O-N 3.26Å; K971-K974 PolarHBondContact O-N 3.46Å; K971-A975 PolarHBondContact O-N 3.43Å; K971-A975 VanDerWaalsContact O-N 3.11Å | ||
| 972 | R | 90.5 | Very high | 90.9 | Very high | 123 Ų | 123 | 62.8 Ų | 62.8 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -44.3 | -41.2 | 178.9 | 62.4 | -171.1 | -174.5 | 178.7 | -2.9 | 115.4 | K974 A975 S976 S1006 F1009 | R972-K974 PolarHBondContact O-N 3.38Å; R972-A975 PolarHBondContact O-N 3.19Å; R972-S976 WeakPolarHBondContact O-CB 3.43Å; R972-S976 PolarHBondContact O-N 2.97Å; R972-S976 PolarHBondContact O-OG 2.8Å; R972-S1006 WeakPolarHBondContact CD-O 3.15Å; R972-F1009 HydrophobicContact CB-CB 3.81Å; R972-F1009 HydrophobicContact CB-CG 4.4Å |
| 973 | G | 88.8 | Confident | 90.8 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.3 | -29.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K971 S976 K977 | K971-G973 PolarHBondContact O-N 3.26Å; G973-S976 WeakPolarHBondContact CA-OG 3.36Å; G973-S976 PolarHBondContact O-OG 2.82Å; G973-S976 VanDerWaalsContact O-OG 3.09Å; G973-K977 WeakPolarHBondContact O-CG 3.41Å |
| 974 | K | 90.7 | Very high | 90.6 | Very high | 140 Ų | 140 | 59.8 Ų | 59.8 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -81.9 | -41.2 | 174.2 | -173.8 | 177.6 | 178.4 | -176.1 | 0 | 110.7 | T970 K971 R972 K977 M978 | T970-K974 HydrophobicContact CG2-CB 3.93Å; T970-K974 HydrophobicContact CG2-CD 4.15Å; T970-K974 HydrophobicContact CG2-CG 4.13Å; K971-K974 PolarHBondContact O-N 3.46Å; R972-K974 PolarHBondContact O-N 3.38Å; K974-K977 PolarHBondContact O-N 3.24Å; K974-M978 HydrophobicContact CG-SD 4.22Å; K974-M978 WeakPolarHBondContact O-CG 3.39Å; K974-M978 PolarHBondContact O-N 3.06Å; K974-M978 VanDerWaalsContact O-N 3.09Å |
| 975 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T970 K971 R972 K977 M978 A979 F1009 V1013 L1015 | T970-A975 HydrophobicContact CG2-CB 4.24Å; K971-A975 PolarHBondContact O-N 3.43Å; K971-A975 VanDerWaalsContact O-N 3.11Å; R972-A975 PolarHBondContact O-N 3.19Å; A975-K977 PolarHBondContact O-N 3.21Å; A975-M978 PolarHBondContact O-N 3.27Å; A975-A979 PolarHBondContact O-N 3.42Å; A975-F1009 HydrophobicContact CB-CE1 4.18Å; A975-V1013 HydrophobicContact CB-CG2 3.42Å; A975-V1013 VanDerWaalsContact CB-CG2 3.42Å; A975-L1015 HydrophobicContact CB-CD2 4.4Å; A975-L1015 HydrophobicContact CB-CG 4.43Å; A975-L1015 WeakPolarHBondContact O-CD1 3.39Å |
| 976 | S | 92 | Very high | 90 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.8 | -49.3 | 175.2 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | R972 G973 M978 A979 L980 | R972-S976 WeakPolarHBondContact O-CB 3.43Å; R972-S976 PolarHBondContact O-N 2.97Å; R972-S976 PolarHBondContact O-OG 2.8Å; G973-S976 WeakPolarHBondContact CA-OG 3.36Å; G973-S976 PolarHBondContact O-OG 2.82Å; G973-S976 VanDerWaalsContact O-OG 3.09Å; S976-M978 VanDerWaalsContact C-N 3.33Å; S976-M978 PolarHBondContact O-N 2.87Å; S976-A979 PolarHBondContact O-N 2.99Å; S976-L980 WeakPolarHBondContact O-CG 3.13Å; S976-L980 PolarHBondContact O-N 2.84Å |
| 977 | K | 90.8 | Very high | 89.6 | Confident | 111 Ų | 111 | 72 Ų | 72 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 177.1 | -69.4 | 178.2 | -172.4 | -118.2 | 0 | 112.9 | G973 K974 A975 F981 D1002 | G973-K977 WeakPolarHBondContact O-CG 3.41Å; K974-K977 PolarHBondContact O-N 3.24Å; A975-K977 PolarHBondContact O-N 3.21Å; K977-F981 VanDerWaalsContact O-CB 3.29Å; K977-F981 WeakPolarHBondContact O-CB 3.42Å; K977-F981 PolarHBondContact O-N 3.43Å; K977-D1002 WeakPolarHBondContact CE-OD2 3.07Å; K977-D1002 IonicContact NZ-OD2 3.23Å; K977-D1002 PolarHBondContact NZ-OD2 3.11Å |
| 978 | M | 90.9 | Very high | 89.4 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.3 | -72.3 | 175.7 | 64.5 | 0 | 0 | 111.6 | K974 A975 S976 F981 Q982 L1015 | K974-M978 HydrophobicContact CG-SD 4.22Å; K974-M978 WeakPolarHBondContact O-CG 3.39Å; K974-M978 PolarHBondContact O-N 3.06Å; K974-M978 VanDerWaalsContact O-N 3.09Å; A975-M978 PolarHBondContact O-N 3.27Å; S976-M978 VanDerWaalsContact C-N 3.33Å; S976-M978 PolarHBondContact O-N 2.87Å; M978-F981 PolarHBondContact O-N 2.88Å; M978-Q982 PolarHBondContact O-N 3.47Å; M978-L1015 HydrophobicContact CB-CD1 3.72Å |
| 979 | A | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F675 A975 S976 Q982 F983 L1015 | F675-A979 HydrophobicContact CD1-CB 3.66Å; F675-A979 HydrophobicContact CE1-CB 3.77Å; A975-A979 PolarHBondContact O-N 3.42Å; S976-A979 PolarHBondContact O-N 2.99Å; A979-Q982 WeakPolarHBondContact O-CB 3.41Å; A979-Q982 PolarHBondContact O-N 3.03Å; A979-F983 WeakPolarHBondContact O-CD2 3.42Å; A979-F983 WeakPolarHBondContact O-CG 3.23Å; A979-F983 PolarHBondContact O-N 2.84Å; A979-F983 VanDerWaalsContact O-N 3.09Å; A979-L1015 HydrophobicContact CB-CD1 4.25Å |
| 980 | L | 90.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.1 | -67.5 | 173.7 | 0 | 0 | 0 | 112.4 | F675 I677 S976 Q982 F983 T984 I997 M1000 V1005 | F675-L980 HydrophobicContact CZ-CD2 4.43Å; I677-L980 HydrophobicContact CD1-CD2 4.21Å; S976-L980 WeakPolarHBondContact O-CG 3.13Å; S976-L980 PolarHBondContact O-N 2.84Å; L980-Q982 VanDerWaalsContact C-N 3.27Å; L980-Q982 PolarHBondContact O-N 2.79Å; L980-F983 PolarHBondContact O-N 2.82Å; L980-T984 WeakPolarHBondContact O-CG2 3.19Å; L980-T984 PolarHBondContact O-N 2.87Å; L980-T984 PolarHBondContact O-OG1 2.83Å; L980-I997 HydrophobicContact CD2-CG2 3.93Å; L980-M1000 HydrophobicContact CD2-CE 3.42Å; L980-M1000 VanDerWaalsContact CD2-CE 3.42Å; L980-V1005 HydrophobicContact CD1-CB 4.37Å; L980-V1005 HydrophobicContact CD1-CG1 4.2Å; L980-V1005 HydrophobicContact CD1-CG2 4.09Å; L980-V1005 HydrophobicContact CD2-CG1 4.42Å; L980-V1005 HydrophobicContact CD2-CG2 4.5Å; L980-V1005 HydrophobicContact CG-CG1 4.35Å |
| 981 | F | 89.6 | Confident | 88.8 | Confident | 146 Ų | 146 | 72.1 Ų | 72.1 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.9 | -40.1 | 176.1 | -178.7 | -99.1 | 0 | 0 | 0 | 111.3 | K977 M978 T984 S985 | K977-F981 VanDerWaalsContact O-CB 3.29Å; K977-F981 WeakPolarHBondContact O-CB 3.42Å; K977-F981 PolarHBondContact O-N 3.43Å; M978-F981 PolarHBondContact O-N 2.88Å; F981-T984 PolarHBondContact O-N 3.01Å; F981-T984 PolarHBondContact O-OG1 3.37Å; F981-T984 VanDerWaalsContact O-OG1 3.07Å; F981-S985 VanDerWaalsContact O-CB 3.29Å; F981-S985 WeakPolarHBondContact O-CB 3.29Å; F981-S985 PolarHBondContact O-N 3.46Å; F981-S985 PolarHBondContact O-OG 2.84Å |
| 982 | Q | 88.6 | Confident | 88.5 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 175.5 | -173.7 | -167.5 | -26.7 | 0 | 0 | 111.8 | M978 A979 L980 T984 S985 D986 L1017 | M978-Q982 PolarHBondContact O-N 3.47Å; A979-Q982 WeakPolarHBondContact O-CB 3.41Å; A979-Q982 PolarHBondContact O-N 3.03Å; L980-Q982 VanDerWaalsContact C-N 3.27Å; L980-Q982 PolarHBondContact O-N 2.79Å; Q982-T984 VanDerWaalsContact C-N 3.32Å; Q982-T984 PolarHBondContact O-N 2.81Å; Q982-S985 PolarHBondContact O-N 3.38Å; Q982-D986 PolarHBondContact O-N 3.07Å; Q982-L1017 HydrophobicContact CG-CD2 4.42Å |
| 983 | F | 90.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 179.7 | -61.1 | -32 | 0 | 0 | 0 | 113.4 | F675 I677 F961 V963 A979 L980 T989 I997 | F675-F983 AromaticContact CD1-CE2 3.82Å; F675-F983 HydrophobicContact CD1-CE2 3.82Å; F675-F983 HydrophobicContact CD1-CZ 4.2Å; F675-F983 HydrophobicContact CE1-CD2 4.35Å; F675-F983 AromaticContact CE1-CE2 3.54Å; F675-F983 HydrophobicContact CE1-CE2 3.54Å; F675-F983 HydrophobicContact CE1-CZ 4.36Å; F675-F983 HydrophobicContact CZ-CE2 4.49Å; I677-F983 HydrophobicContact CD1-CD2 3.5Å; I677-F983 HydrophobicContact CD1-CE2 3.97Å; I677-F983 HydrophobicContact CD1-CG 4.42Å; I677-F983 HydrophobicContact CG1-CD2 4.01Å; I677-F983 HydrophobicContact CG1-CE2 3.95Å; F961-F983 HydrophobicContact CB-CD1 3.98Å; F961-F983 HydrophobicContact CB-CD2 4.21Å; F961-F983 HydrophobicContact CB-CE1 4.02Å; F961-F983 HydrophobicContact CB-CE2 4.21Å; F961-F983 HydrophobicContact CB-CG 4.08Å; F961-F983 HydrophobicContact CB-CZ 4.13Å; F961-F983 HydrophobicContact CD1-CB 3.84Å; F961-F983 AromaticContact CD1-CD1 3.93Å; F961-F983 HydrophobicContact CD1-CD1 3.93Å; F961-F983 AromaticContact CD1-CG 3.98Å; F961-F983 HydrophobicContact CD1-CG 3.98Å; F961-F983 HydrophobicContact CE1-CB 4.43Å; F961-F983 HydrophobicContact CG-CD1 4.43Å; F961-F983 HydrophobicContact CG-CG 4.37Å; V963-F983 HydrophobicContact CB-CZ 4.5Å; V963-F983 HydrophobicContact CG2-CE1 3.71Å; V963-F983 HydrophobicContact CG2-CZ 3.82Å; A979-F983 WeakPolarHBondContact O-CD2 3.42Å; A979-F983 WeakPolarHBondContact O-CG 3.23Å; A979-F983 PolarHBondContact O-N 2.84Å; A979-F983 VanDerWaalsContact O-N 3.09Å; L980-F983 PolarHBondContact O-N 2.82Å; F983-T989 PolarHBondContact O-OG1 2.84Å; F983-I997 HydrophobicContact CB-CD1 4.28Å |
| 984 | T | 88.9 | Confident | 88.4 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77 | -23.9 | 178.5 | 53 | 0 | 0 | 0 | 0 | 113.8 | L980 F981 Q982 R994 I997 R998 | L980-T984 WeakPolarHBondContact O-CG2 3.19Å; L980-T984 PolarHBondContact O-N 2.87Å; L980-T984 PolarHBondContact O-OG1 2.83Å; F981-T984 PolarHBondContact O-N 3.01Å; F981-T984 PolarHBondContact O-OG1 3.37Å; F981-T984 VanDerWaalsContact O-OG1 3.07Å; Q982-T984 VanDerWaalsContact C-N 3.32Å; Q982-T984 PolarHBondContact O-N 2.81Å; T984-R994 HydrophobicContact CG2-CG 4.18Å; T984-R994 PolarHBondContact O-NE 3.3Å; T984-I997 HydrophobicContact CG2-CB 4.13Å; T984-I997 HydrophobicContact CG2-CG2 3.62Å; T984-R998 HydrophobicContact CG2-CG 4.07Å |
| 985 | S | 87.2 | Confident | 88.2 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -87.4 | -13.4 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | F981 Q982 | F981-S985 VanDerWaalsContact O-CB 3.29Å; F981-S985 WeakPolarHBondContact O-CB 3.29Å; F981-S985 PolarHBondContact O-N 3.46Å; F981-S985 PolarHBondContact O-OG 2.84Å; Q982-S985 PolarHBondContact O-N 3.38Å |
| 986 | D | 86.4 | Confident | 87.9 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | trans | -65.5 | 140.5 | 177.8 | -156.8 | -12.5 | 0 | 0 | 0 | 111.3 | Q982 S988 T989 | Q982-D986 PolarHBondContact O-N 3.07Å; D986-S988 VanDerWaalsContact C-N 3.33Å; D986-T989 PolarHBondContact O-N 2.95Å; D986-T989 PolarHBondContact O-OG1 2.68Å | ||
| 987 | K | 83.6 | Confident | 87.8 | Confident | 204 Ų | 204 | 65 Ų | 65 | 89% | 0.887 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -23.9 | -175.3 | -68.4 | -176.9 | -179.5 | 179.5 | 0 | 112.3 | T989 | K987-T989 VanDerWaalsContact C-N 3.25Å; K987-T989 PolarHBondContact O-N 3.5Å |
| 988 | S | 84.7 | Confident | 87.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.1 | 178 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | K960 D986 | K960-S988 PolarHBondContact NZ-O 2.88Å; D986-S988 VanDerWaalsContact C-N 3.33Å |
| 989 | T | 84.7 | Confident | 87.2 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | trans | -82.5 | 120.2 | -178.2 | -51.5 | 0 | 0 | 0 | 0 | 110.5 | F961 F983 D986 K987 E993 R994 I997 | F961-T989 HydrophobicContact CE1-CG2 4.16Å; F961-T989 WeakPolarHBondContact CE1-OG1 3.48Å; F961-T989 HydrophobicContact CZ-CG2 3.9Å; F983-T989 PolarHBondContact O-OG1 2.84Å; D986-T989 PolarHBondContact O-N 2.95Å; D986-T989 PolarHBondContact O-OG1 2.68Å; K987-T989 VanDerWaalsContact C-N 3.25Å; K987-T989 PolarHBondContact O-N 3.5Å; T989-E993 WeakPolarHBondContact CA-OE2 3.15Å; T989-E993 HydrophobicContact CG2-CB 3.73Å; T989-R994 HydrophobicContact CG2-CB 4Å; T989-R994 PolarHBondContact O-NH2 2.81Å; T989-R994 VanDerWaalsContact O-NH2 3.07Å; T989-I997 HydrophobicContact CG2-CD1 4.45Å | ||
| 990 | T | 88.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | trans | -65.7 | 158.6 | 175.2 | 71.7 | 0 | 0 | 0 | 0 | 110.4 | R992 E993 R994 | T990-R992 PolarHBondContact O-N 3.46Å; T990-E993 PolarHBondContact N-OE2 2.79Å; T990-E993 PolarHBondContact O-N 2.94Å; T990-E993 WeakPolarHBondContact OG1-CB 3.37Å; T990-E993 WeakPolarHBondContact OG1-CG 3.38Å; T990-E993 PolarHBondContact OG1-N 3.46Å; T990-E993 PolarHBondContact OG1-OE2 3.33Å; T990-R994 WeakPolarHBondContact O-CB 3.16Å; T990-R994 PolarHBondContact O-N 3.36Å | ||
| 991 | N | 84.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 73 Ų | 73 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | 179 | -72.3 | -25.9 | 0 | 0 | 0 | 111.5 | R994 E995 | N991-R994 PolarHBondContact O-N 2.87Å; N991-R994 PolarHBondContact OD1-NH1 2.96Å; N991-E995 WeakPolarHBondContact O-CG 3.11Å; N991-E995 PolarHBondContact O-N 3.01Å |
| 992 | R | 84.4 | Confident | 86.3 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.2 | -177.8 | 59 | 178.8 | 169.3 | 0.4 | 111.9 | L943 T990 R994 E995 L996 | L943-R992 PolarHBondContact O-NE 2.95Å; L943-R992 PolarHBondContact O-NH2 2.86Å; T990-R992 PolarHBondContact O-N 3.46Å; R992-R994 VanDerWaalsContact C-N 3.3Å; R992-R994 PolarHBondContact O-N 2.88Å; R992-E995 PolarHBondContact O-N 3.24Å; R992-L996 HydrophobicContact CG-CD1 4.43Å; R992-L996 WeakPolarHBondContact O-CG 3.17Å; R992-L996 PolarHBondContact O-N 3.35Å |
| 993 | E | 89.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.009 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 174.7 | -72.1 | 169.5 | 156.2 | 0 | 0 | 111.1 | F679 P937 L943 K960 F961 T989 T990 E995 L996 I997 | F679-E993 HydrophobicContact CE1-CG 4.38Å; F679-E993 HydrophobicContact CZ-CB 4.33Å; F679-E993 HydrophobicContact CZ-CG 4.08Å; P937-E993 VanDerWaalsContact CG-OE1 3.31Å; P937-E993 WeakPolarHBondContact CG-OE1 3.3Å; L943-E993 HydrophobicContact CD1-CG 3.9Å; K960-E993 VanDerWaalsContact NZ-CD 3.29Å; K960-E993 IonicContact NZ-OE1 3.83Å; K960-E993 PolarHBondContact NZ-OE1 3.44Å; K960-E993 IonicContact NZ-OE2 3.94Å; K960-E993 PolarHBondContact NZ-OE2 3.37Å; F961-E993 HydrophobicContact CE2-CB 4.48Å; F961-E993 HydrophobicContact CE2-CG 4.37Å; F961-E993 HydrophobicContact CZ-CB 4.38Å; T989-E993 WeakPolarHBondContact CA-OE2 3.15Å; T989-E993 HydrophobicContact CG2-CB 3.73Å; T990-E993 PolarHBondContact N-OE2 2.79Å; T990-E993 PolarHBondContact O-N 2.94Å; T990-E993 WeakPolarHBondContact OG1-CB 3.37Å; T990-E993 WeakPolarHBondContact OG1-CG 3.38Å; T990-E993 PolarHBondContact OG1-N 3.46Å; T990-E993 PolarHBondContact OG1-OE2 3.33Å; E993-E995 VanDerWaalsContact C-N 3.33Å; E993-E995 PolarHBondContact O-N 3.27Å; E993-L996 PolarHBondContact O-N 3.35Å; E993-I997 WeakPolarHBondContact O-CB 3.27Å; E993-I997 WeakPolarHBondContact O-CG1 3.13Å; E993-I997 PolarHBondContact O-N 3.16Å |
| 994 | R | 88 | Confident | 85.8 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | -179.8 | -166.9 | -178.6 | -65.3 | 110.4 | 7.4 | 112.4 | T984 T989 T990 N991 R992 R998 | T984-R994 HydrophobicContact CG2-CG 4.18Å; T984-R994 PolarHBondContact O-NE 3.3Å; T989-R994 HydrophobicContact CG2-CB 4Å; T989-R994 PolarHBondContact O-NH2 2.81Å; T989-R994 VanDerWaalsContact O-NH2 3.07Å; T990-R994 WeakPolarHBondContact O-CB 3.16Å; T990-R994 PolarHBondContact O-N 3.36Å; N991-R994 PolarHBondContact O-N 2.87Å; N991-R994 PolarHBondContact OD1-NH1 2.96Å; R992-R994 VanDerWaalsContact C-N 3.3Å; R992-R994 PolarHBondContact O-N 2.88Å; R994-R998 WeakPolarHBondContact O-CB 3.47Å; R994-R998 VanDerWaalsContact O-CG 3.29Å; R994-R998 WeakPolarHBondContact O-CG 3.44Å; R994-R998 PolarHBondContact O-N 2.89Å; R994-R998 VanDerWaalsContact O-N 3.17Å |
| 995 | E | 84.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.4 | -48.7 | 175 | -74.3 | 174.2 | -174.9 | 0 | 0 | 111.7 | N991 R992 E993 I997 R998 A999 | N991-E995 WeakPolarHBondContact O-CG 3.11Å; N991-E995 PolarHBondContact O-N 3.01Å; R992-E995 PolarHBondContact O-N 3.24Å; E993-E995 VanDerWaalsContact C-N 3.33Å; E993-E995 PolarHBondContact O-N 3.27Å; E995-I997 VanDerWaalsContact C-N 3.34Å; E995-I997 PolarHBondContact O-N 2.66Å; E995-R998 PolarHBondContact O-N 3.08Å; E995-A999 PolarHBondContact O-N 2.97Å |
| 996 | L | 86.9 | Confident | 86 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 179.7 | -66.4 | -177.4 | 0 | 0 | 0 | 112.1 | F679 L943 L944 A946 R992 E993 R998 A999 | F679-L996 HydrophobicContact CD1-CD1 4.08Å; F679-L996 HydrophobicContact CE1-CB 4.32Å; F679-L996 HydrophobicContact CE1-CD1 4.29Å; L943-L996 HydrophobicContact CB-CD1 3.55Å; L943-L996 HydrophobicContact CD1-CD1 4.42Å; L944-L996 WeakPolarHBondContact O-CD2 3.47Å; A946-L996 HydrophobicContact CB-CB 4.04Å; R992-L996 HydrophobicContact CG-CD1 4.43Å; R992-L996 WeakPolarHBondContact O-CG 3.17Å; R992-L996 PolarHBondContact O-N 3.35Å; E993-L996 PolarHBondContact O-N 3.35Å; L996-R998 VanDerWaalsContact C-N 3.33Å; L996-R998 PolarHBondContact O-N 3.13Å; L996-A999 PolarHBondContact O-N 2.96Å |
| 997 | I | 89.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.9 | -65.8 | 169.6 | 0 | 0 | 0 | 111.2 | I677 F679 F961 L980 F983 T984 T989 E993 E995 M1000 | I677-I997 HydrophobicContact CD1-CB 4.42Å; I677-I997 HydrophobicContact CD1-CD1 3.96Å; I677-I997 HydrophobicContact CD1-CG1 3.72Å; I677-I997 HydrophobicContact CD1-CG2 3.91Å; F679-I997 HydrophobicContact CZ-CD1 4.49Å; F679-I997 HydrophobicContact CZ-CG1 4.43Å; F961-I997 HydrophobicContact CD1-CD1 4.49Å; F961-I997 HydrophobicContact CD2-CD1 4.39Å; F961-I997 HydrophobicContact CE1-CD1 4.31Å; F961-I997 HydrophobicContact CE2-CD1 4.21Å; F961-I997 HydrophobicContact CZ-CD1 4.17Å; L980-I997 HydrophobicContact CD2-CG2 3.93Å; F983-I997 HydrophobicContact CB-CD1 4.28Å; T984-I997 HydrophobicContact CG2-CB 4.13Å; T984-I997 HydrophobicContact CG2-CG2 3.62Å; T989-I997 HydrophobicContact CG2-CD1 4.45Å; E993-I997 WeakPolarHBondContact O-CB 3.27Å; E993-I997 WeakPolarHBondContact O-CG1 3.13Å; E993-I997 PolarHBondContact O-N 3.16Å; E995-I997 VanDerWaalsContact C-N 3.34Å; E995-I997 PolarHBondContact O-N 2.66Å; I997-M1000 HydrophobicContact CB-CE 4.49Å; I997-M1000 HydrophobicContact CG2-CE 4.09Å |
| 998 | R | 85.4 | Confident | 86.4 | Confident | 176 Ų | 176 | 66.6 Ų | 66.6 | 66% | 0.664 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.2 | -24.3 | 177.5 | -75.1 | 176.5 | 177.8 | 175 | 1.1 | 113.7 | T984 R994 E995 L996 M1000 | T984-R998 HydrophobicContact CG2-CG 4.07Å; R994-R998 WeakPolarHBondContact O-CB 3.47Å; R994-R998 VanDerWaalsContact O-CG 3.29Å; R994-R998 WeakPolarHBondContact O-CG 3.44Å; R994-R998 PolarHBondContact O-N 2.89Å; R994-R998 VanDerWaalsContact O-N 3.17Å; E995-R998 PolarHBondContact O-N 3.08Å; L996-R998 VanDerWaalsContact C-N 3.33Å; L996-R998 PolarHBondContact O-N 3.13Å; R998-M1000 VanDerWaalsContact C-N 3.27Å |
| 999 | A | 83.1 | Confident | 86.7 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 66% | 0.661 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -74 | -17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E995 L996 | E995-A999 PolarHBondContact O-N 2.97Å; L996-A999 PolarHBondContact O-N 2.96Å |
| 1000 | M | 84.7 | Confident | 86.8 | Confident | 21 Ų | 21 | 64 Ų | 64 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -67.2 | 138.7 | 177.6 | -62.7 | -168.3 | -64.7 | 0 | 0 | 111.7 | I677 A946 P948 L980 I997 R998 V1005 | I677-M1000 HydrophobicContact CD1-CE 3.67Å; I677-M1000 HydrophobicContact CG1-CE 4.32Å; A946-M1000 HydrophobicContact CB-CG 4.22Å; A946-M1000 HydrophobicContact CB-SD 3.87Å; P948-M1000 HydrophobicContact CG-SD 4.47Å; L980-M1000 HydrophobicContact CD2-CE 3.42Å; L980-M1000 VanDerWaalsContact CD2-CE 3.42Å; I997-M1000 HydrophobicContact CB-CE 4.49Å; I997-M1000 HydrophobicContact CG2-CE 4.09Å; R998-M1000 VanDerWaalsContact C-N 3.27Å; M1000-V1005 HydrophobicContact CB-CG2 4.11Å; M1000-V1005 HydrophobicContact CE-CG2 4.29Å; M1000-V1005 HydrophobicContact SD-CG2 4.44Å |
| 1001 | K | 84.2 | Confident | 86.6 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | trans | -75 | 129 | 176.8 | -66.4 | 174.6 | -174.9 | 164 | 0 | 110.4 | E1003 E1004 V1005 | K1001-E1003 PolarHBondContact O-N 3.24Å; K1001-E1003 VanDerWaalsContact O-N 3.09Å; K1001-E1004 HydrophobicContact CB-CB 4.36Å; K1001-E1004 HydrophobicContact CB-CG 4.32Å; K1001-E1004 WeakPolarHBondContact O-CB 3.44Å; K1001-E1004 PolarHBondContact O-N 3.45Å; K1001-V1005 PolarHBondContact O-N 3.41Å | ||
| 1002 | D | 84.4 | Confident | 86.8 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -50.9 | -37.4 | 177.2 | -75.9 | -15.5 | 0 | 0 | 0 | 112.9 | K977 S1006 | K977-D1002 WeakPolarHBondContact CE-OD2 3.07Å; K977-D1002 IonicContact NZ-OD2 3.23Å; K977-D1002 PolarHBondContact NZ-OD2 3.11Å; D1002-S1006 WeakPolarHBondContact O-CB 3.27Å; D1002-S1006 PolarHBondContact O-N 2.88Å; D1002-S1006 PolarHBondContact O-OG 3.22Å |
| 1003 | E | 85.7 | Confident | 87.1 | Confident | 150 Ų | 150 | 54.3 Ų | 54.3 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 180 | -66 | 179.7 | -178.9 | 0 | 0 | 112 | K1001 S1006 R1007 | K1001-E1003 PolarHBondContact O-N 3.24Å; K1001-E1003 VanDerWaalsContact O-N 3.09Å; E1003-S1006 PolarHBondContact O-N 3.25Å; E1003-S1006 PolarHBondContact O-OG 2.87Å; E1003-R1007 WeakPolarHBondContact O-CG 3.37Å; E1003-R1007 PolarHBondContact O-N 2.87Å; E1003-R1007 VanDerWaalsContact O-N 3.17Å |
| 1004 | E | 84.1 | Confident | 87.2 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.1 | -79.7 | 164.8 | -166.8 | 0 | 0 | 111.2 | K1001 S1006 R1007 | K1001-E1004 HydrophobicContact CB-CB 4.36Å; K1001-E1004 HydrophobicContact CB-CG 4.32Å; K1001-E1004 WeakPolarHBondContact O-CB 3.44Å; K1001-E1004 PolarHBondContact O-N 3.45Å; E1004-S1006 VanDerWaalsContact C-N 3.33Å; E1004-S1006 PolarHBondContact O-N 3.43Å; E1004-R1007 PolarHBondContact O-N 3.22Å |
| 1005 | V | 89.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | F675 P948 L980 M1000 K1001 R1007 N1008 F1009 | F675-V1005 HydrophobicContact CE1-CG1 4.34Å; F675-V1005 HydrophobicContact CE2-CG1 3.82Å; F675-V1005 HydrophobicContact CZ-CG1 3.46Å; F675-V1005 VanDerWaalsContact CZ-CG1 3.46Å; P948-V1005 HydrophobicContact CB-CB 4.36Å; P948-V1005 HydrophobicContact CB-CG1 4.2Å; P948-V1005 HydrophobicContact CB-CG2 4.04Å; P948-V1005 HydrophobicContact CG-CG2 4.05Å; L980-V1005 HydrophobicContact CD1-CB 4.37Å; L980-V1005 HydrophobicContact CD1-CG1 4.2Å; L980-V1005 HydrophobicContact CD1-CG2 4.09Å; L980-V1005 HydrophobicContact CD2-CG1 4.42Å; L980-V1005 HydrophobicContact CD2-CG2 4.5Å; L980-V1005 HydrophobicContact CG-CG1 4.35Å; M1000-V1005 HydrophobicContact CB-CG2 4.11Å; M1000-V1005 HydrophobicContact CE-CG2 4.29Å; M1000-V1005 HydrophobicContact SD-CG2 4.44Å; K1001-V1005 PolarHBondContact O-N 3.41Å; V1005-R1007 VanDerWaalsContact C-N 3.31Å; V1005-R1007 PolarHBondContact O-N 2.85Å; V1005-N1008 PolarHBondContact O-N 3.38Å; V1005-F1009 HydrophobicContact CG1-CE2 4.21Å; V1005-F1009 VanDerWaalsContact O-CD2 3.26Å; V1005-F1009 WeakPolarHBondContact O-CD2 3.45Å |
| 1006 | S | 90 | Very high | 87.2 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -27.1 | -177.9 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | R972 D1002 E1003 E1004 N1008 | R972-S1006 WeakPolarHBondContact CD-O 3.15Å; D1002-S1006 WeakPolarHBondContact O-CB 3.27Å; D1002-S1006 PolarHBondContact O-N 2.88Å; D1002-S1006 PolarHBondContact O-OG 3.22Å; E1003-S1006 PolarHBondContact O-N 3.25Å; E1003-S1006 PolarHBondContact O-OG 2.87Å; E1004-S1006 VanDerWaalsContact C-N 3.33Å; E1004-S1006 PolarHBondContact O-N 3.43Å; S1006-N1008 VanDerWaalsContact C-N 3.34Å |
| 1007 | R | 88.6 | Confident | 86.2 | Confident | 130 Ų | 130 | 60.5 Ų | 60.5 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.2 | -28.4 | -179.4 | -78.1 | -175.3 | -62.6 | -173.7 | 3.1 | 113.1 | F534 H548 E1003 E1004 V1005 F1009 | F534-R1007 VanDerWaalsContact CE1-O 3.31Å; F534-R1007 WeakPolarHBondContact CE1-O 3.46Å; H548-R1007 PolarHBondContact CE1-O 3.29Å; E1003-R1007 WeakPolarHBondContact O-CG 3.37Å; E1003-R1007 PolarHBondContact O-N 2.87Å; E1003-R1007 VanDerWaalsContact O-N 3.17Å; E1004-R1007 PolarHBondContact O-N 3.22Å; V1005-R1007 VanDerWaalsContact C-N 3.31Å; V1005-R1007 PolarHBondContact O-N 2.85Å; R1007-F1009 VanDerWaalsContact C-N 3.26Å; R1007-F1009 PolarHBondContact O-N 3.1Å |
| 1008 | N | 89.8 | Confident | 84.6 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -8.4 | -178.8 | -68.7 | -9.4 | 0 | 0 | 0 | 113.9 | F534 P948 C950 V1005 S1006 | F534-N1008 WeakPolarHBondContact CE1-O 3.35Å; P948-N1008 PolarHBondContact O-ND2 3.22Å; C950-N1008 HydrophobicContact CB-CB 4.48Å; C950-N1008 VanDerWaalsContact CB-O 3.24Å; C950-N1008 WeakPolarHBondContact CB-O 3.33Å; C950-N1008 VanDerWaalsContact SG-C 3.58Å; C950-N1008 PolarHBondContact SG-O 2.66Å; V1005-N1008 PolarHBondContact O-N 3.38Å; S1006-N1008 VanDerWaalsContact C-N 3.34Å |
| 1009 | F | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -81.1 | 139.8 | 179 | -78.2 | -113.1 | 0 | 0 | 0 | 111.4 | F675 L965 R972 A975 V1005 R1007 G1011 V1013 L1015 | F675-F1009 HydrophobicContact CB-CE1 4.45Å; F675-F1009 HydrophobicContact CB-CZ 3.98Å; F675-F1009 HydrophobicContact CD1-CE2 4.44Å; F675-F1009 AromaticContact CD1-CZ 3.95Å; F675-F1009 HydrophobicContact CD1-CZ 3.95Å; F675-F1009 AromaticContact CD2-CE2 3.77Å; F675-F1009 HydrophobicContact CD2-CE2 3.77Å; F675-F1009 AromaticContact CD2-CZ 3.96Å; F675-F1009 HydrophobicContact CD2-CZ 3.96Å; F675-F1009 HydrophobicContact CE1-CZ 4.43Å; F675-F1009 HydrophobicContact CE2-CE2 4Å; F675-F1009 HydrophobicContact CE2-CZ 4.44Å; F675-F1009 HydrophobicContact CG-CE2 4Å; F675-F1009 AromaticContact CG-CZ 3.68Å; F675-F1009 HydrophobicContact CG-CZ 3.68Å; F675-F1009 HydrophobicContact CZ-CE2 4.44Å; L965-F1009 HydrophobicContact CD1-CD1 3.99Å; L965-F1009 HydrophobicContact CD1-CE1 4.03Å; L965-F1009 HydrophobicContact CD2-CD1 4.25Å; L965-F1009 HydrophobicContact CD2-CE1 3.68Å; R972-F1009 HydrophobicContact CB-CB 3.81Å; R972-F1009 HydrophobicContact CB-CG 4.4Å; A975-F1009 HydrophobicContact CB-CE1 4.18Å; V1005-F1009 HydrophobicContact CG1-CE2 4.21Å; V1005-F1009 VanDerWaalsContact O-CD2 3.26Å; V1005-F1009 WeakPolarHBondContact O-CD2 3.45Å; R1007-F1009 VanDerWaalsContact C-N 3.26Å; R1007-F1009 PolarHBondContact O-N 3.1Å; F1009-G1011 PolarHBondContact O-N 3.22Å; F1009-V1013 HydrophobicContact CD1-CG1 4.2Å; F1009-V1013 HydrophobicContact CD1-CG2 3.77Å; F1009-V1013 HydrophobicContact CE1-CG2 4.07Å; F1009-L1015 HydrophobicContact CE1-CD2 4.42Å |
| 1010 | P | 85.3 | Confident | 80 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | trans | -70.4 | 0 | -176.2 | 30.2 | -37.2 | 0 | 0 | 0 | 114.5 | V621 L622 W626 Y673 V1013 | V621-P1010 HydrophobicContact CG1-CB 3.71Å; V621-P1010 HydrophobicContact CG1-CG 3.92Å; L622-P1010 HydrophobicContact CD2-CB 3.76Å; W626-P1010 HydrophobicContact CH2-CG 4.45Å; W626-P1010 HydrophobicContact CZ2-CG 4.04Å; Y673-P1010 HydrophobicContact CD1-CG 4.01Å; Y673-P1010 HydrophobicContact CE1-CG 4.18Å; P1010-V1013 HydrophobicContact CG-CG1 4.2Å | ||
| 1011 | G | 85.5 | Confident | 77.2 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 142.9 | -137.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1009 | F1009-G1011 PolarHBondContact O-N 3.22Š|
| 1012 | C | 89.1 | Confident | 74.6 | Confident | 57 Ų | 57 | 74 Ų | 74 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -77.3 | 132.9 | 171.3 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | W626 G968 T970 | W626-C1012 PolarHBondContact NE1-O 3.04Å; W626-C1012 VanDerWaalsContact NE1-O 3.1Å; G968-C1012 CarbonylContact O-C 3.59Å; G968-C1012 VanDerWaalsContact O-C 3.25Å; G968-C1012 WeakPolarHBondContact O-CB 3.26Å; T970-C1012 WeakPolarHBondContact O-CA 3.11Å |
| 1013 | V | 90.9 | Very high | 72.1 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 162.5 | -171.5 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | W626 L965 N966 T970 A975 F1009 P1010 | W626-V1013 HydrophobicContact CZ2-CG1 3.91Å; L965-V1013 HydrophobicContact CD2-CG2 4.35Å; N966-V1013 CarbonylContact O-C 3.52Å; N966-V1013 WeakPolarHBondContact O-CA 3.38Å; T970-V1013 WeakPolarHBondContact CB-O 3.35Å; T970-V1013 PolarHBondContact N-O 3.07Å; T970-V1013 PolarHBondContact O-N 3.16Å; A975-V1013 HydrophobicContact CB-CG2 3.42Å; A975-V1013 VanDerWaalsContact CB-CG2 3.42Å; F1009-V1013 HydrophobicContact CD1-CG1 4.2Å; F1009-V1013 HydrophobicContact CD1-CG2 3.77Å; F1009-V1013 HydrophobicContact CE1-CG2 4.07Å; P1010-V1013 HydrophobicContact CG-CG1 4.2Å |
| 1014 | K | 90.4 | Very high | 69.6 | Low | 126 Ų | 126 | 80.4 Ų | 80.4 | 55% | 0.548 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.1 | 165.5 | -178.2 | 178.6 | 178.9 | -177.4 | 0 | 108.1 | N966 | N966-K1014 PolarHBondContact N-O 3.41Å; N966-K1014 PolarHBondContact O-N 3.13Å |
| 1015 | L | 88.4 | Confident | 67.2 | Low | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.188 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.5 | 175.8 | -58 | 177.9 | 0 | 0 | 0 | 109.2 | V963 L965 A975 M978 A979 F1009 | V963-L1015 HydrophobicContact CG1-CB 4.02Å; V963-L1015 HydrophobicContact CG1-CD2 3.87Å; V963-L1015 HydrophobicContact CG1-CG 4.43Å; L965-L1015 HydrophobicContact CD2-CD2 3.37Å; A975-L1015 HydrophobicContact CB-CD2 4.4Å; A975-L1015 HydrophobicContact CB-CG 4.43Å; A975-L1015 WeakPolarHBondContact O-CD1 3.39Å; M978-L1015 HydrophobicContact CB-CD1 3.72Å; A979-L1015 HydrophobicContact CB-CD1 4.25Å; F1009-L1015 HydrophobicContact CE1-CD2 4.42Å |
| 1016 | T | 84.1 | Confident | 64.4 | Low | 52 Ų | 52 | 99.6 Ų | 99.6 | 32% | 0.319 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.7 | 172.9 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | K964 N966 S1018 | K964-T1016 PolarHBondContact N-O 3.21Å; K964-T1016 PolarHBondContact O-N 3.1Å; N966-T1016 PolarHBondContact ND2-OG1 3.14Å; T1016-S1018 PolarHBondContact O-N 3.37Å |
| 1017 | L | 66.5 | Low | 63.1 | Low | 105 Ų | 105 | 103.6 Ų | 103.6 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | trans | -75.5 | 121.4 | 176.1 | -62 | 176.2 | 0 | 0 | 0 | 108.8 | Q982 Q1019 | Q982-L1017 HydrophobicContact CG-CD2 4.42Å; L1017-Q1019 PolarHBondContact O-N 3.26Å; L1017-Q1019 VanDerWaalsContact O-N 3.1Å | ||
| 1018 | S | 54.4 | Low | 61.8 | Low | 73 Ų | 73 | 102.2 Ų | 102.2 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | trans | -72.3 | 101 | 167.2 | 177 | 0 | 0 | 0 | 0 | 107.8 | T1016 V1020 | T1016-S1018 PolarHBondContact O-N 3.37Å; S1018-V1020 PolarHBondContact O-N 3.32Å | ||
| 1019 | Q | 37.7 | Very low | 60.3 | Low | 180 Ų | 180 | 107 Ų | 107 | 84% | 0.841 | 54% | 0.542 | S | S | * | . | trans | -66.7 | 105.9 | 162.8 | -67 | -150.3 | -4.5 | 0 | 0 | 107.3 | L1017 K1021 | L1017-Q1019 PolarHBondContact O-N 3.26Å; L1017-Q1019 VanDerWaalsContact O-N 3.1Å; Q1019-K1021 PolarHBondContact O-N 2.6Å | ||
| 1020 | V | 34.5 | Very low | 58.4 | Low | 124 Ų | 124 | 113.3 Ų | 113.3 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | trans | -58.9 | 107.4 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 105.7 | S1018 P1022 | S1018-V1020 PolarHBondContact O-N 3.32Å; V1020-P1022 WeakPolarHBondContact O-CD 3.45Å; V1020-P1022 VanDerWaalsContact O-N 3.16Å | ||
| 1021 | K | 25.8 | Very low | 56.7 | Low | 187 Ų | 187 | 119.1 Ų | 119.1 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | trans | -54.1 | 123.1 | 168.3 | -79.3 | -178.6 | 177.3 | 176.4 | 0 | 106.1 | Q1019 S1023 | Q1019-K1021 PolarHBondContact O-N 2.6Å; K1021-S1023 PolarHBondContact O-N 3.29Å | ||
| 1022 | P | 29.8 | Very low | 54.8 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 74% | 0.74 | 63% | 0.629 | S | S | * | * | trans | -58.6 | 122 | 170.6 | 24.1 | -29.8 | 0 | 0 | 0 | 106.2 | V1020 R1024 | V1020-P1022 WeakPolarHBondContact O-CD 3.45Å; V1020-P1022 VanDerWaalsContact O-N 3.16Å; P1022-R1024 PolarHBondContact O-N 3.13Å | ||
| 1023 | S | 32.7 | Very low | 52.4 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | trans | -54.1 | 107.3 | 169.6 | 40.7 | 0 | 0 | 0 | 0 | 107 | K1021 K1025 | K1021-S1023 PolarHBondContact O-N 3.29Å; S1023-K1025 VanDerWaalsContact C-N 3.3Å; S1023-K1025 PolarHBondContact O-N 3.01Å | ||
| 1024 | R | 32.2 | Very low | 49.4 | Very low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 70% | 0.696 | S | S | * | * | trans | -63 | 100.1 | 166.2 | -83.3 | -178.1 | 170.8 | 174 | -3.5 | 105.5 | P1022 K1026 | P1022-R1024 PolarHBondContact O-N 3.13Å; R1024-K1026 PolarHBondContact O-N 3.17Å | ||
| 1025 | K | 33.4 | Very low | 46 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -53.5 | 110.6 | 155.9 | -76.6 | -175.6 | 174.8 | -177.4 | 0 | 106.3 | S1023 | S1023-K1025 VanDerWaalsContact C-N 3.3Å; S1023-K1025 PolarHBondContact O-N 3.01Å | ||
| 1026 | K | 32 | Very low | 42.1 | Very low | 275 Ų | 275 | 151.5 Ų | 151.5 | 100% | 1.196 | 76% | 0.755 | S | S | * | * | trans | -90.9 | 0 | 145 | -94.1 | -170.2 | 173.8 | -174.8 | 0 | 106.8 | R1024 | R1024-K1026 PolarHBondContact O-N 3.17Š|
Retrieved 1,026 of 1,026 residues in 274.3 ms
(Link to these results)