| 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 | 55.9 | Low | 89.3 | Confident | 221 Ų | 221 | 45.2 Ų | 45.2 | 100% | 1.089 | 23% | 0.234 | S | C | * | . | 0 | 146.1 | 0 | -65.7 | -179.3 | -167 | 0 | 0 | 107.5 | T3 | M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 PolarHBondContact O-OG1 3.33Å | |||
| 2 | A | 60.2 | Low | 89.9 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | trans | -64 | 121.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | T | 84.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | trans | -111.1 | 122.3 | 179.8 | -55.8 | 0 | 0 | 0 | 0 | 107.8 | M1 E219 L220 | M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 PolarHBondContact O-OG1 3.33Å; T3-E219 HydrophobicContact CG2-CB 3.58Å; T3-E219 HydrophobicContact CG2-CG 3.83Å; T3-L220 CarbonylContact C-O 3.53Å; T3-L220 WeakPolarHBondContact CA-O 3.35Å | ||
| 4 | H | 95.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 146 | 172.8 | -56 | -77.9 | 0 | 0 | 0 | 109.7 | I175 E219 L220 | H4-I175 HydrophobicContact CB-CG2 3.53Å; H4-I175 PolarHBondContact CE1-O 3.03Å; H4-I175 PolarHBondContact ND1-O 3.2Å; H4-E219 WeakPolarHBondContact O-CA 3.35Å; H4-L220 HydrophobicContact CB-CB 4.36Å; H4-L220 PolarHBondContact N-O 3.35Å; H4-L220 PolarHBondContact O-N 2.82Å |
| 5 | R | 95.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | 175.9 | -169.9 | 171.8 | 64 | -162.8 | 1.3 | 110.5 | V217 Y218 | R5-V217 HydrophobicContact CG-CG1 3.92Å; R5-Y218 WeakPolarHBondContact CA-O 3.32Å |
| 6 | L | 98 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.5 | 174.5 | 168.8 | 69.1 | 0 | 0 | 0 | 108.7 | M8 W167 I175 V181 I183 L197 Y218 L220 | L6-M8 HydrophobicContact CD1-CG 4.29Å; L6-M8 HydrophobicContact CD2-CE 4.42Å; L6-M8 HydrophobicContact CD2-CG 4.05Å; L6-M8 HydrophobicContact CD2-SD 4.09Å; L6-M8 HydrophobicContact CG-CG 4.01Å; L6-W167 HydrophobicContact CD2-CH2 3.7Å; L6-W167 HydrophobicContact CD2-CZ3 3.85Å; L6-I175 HydrophobicContact CD1-CD1 4.45Å; L6-V181 HydrophobicContact CD1-CB 3.87Å; L6-V181 HydrophobicContact CD1-CG1 3.86Å; L6-I183 HydrophobicContact CD1-CD1 3.82Å; L6-I183 HydrophobicContact CD1-CG1 4Å; L6-L197 HydrophobicContact CD2-CD1 4.13Å; L6-Y218 PolarHBondContact N-O 3.25Å; L6-Y218 PolarHBondContact O-N 3.46Å; L6-L220 HydrophobicContact CB-CD1 4.3Å; L6-L220 HydrophobicContact CD2-CD1 4.5Å |
| 7 | V | 98.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.6 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | V9 I45 M50 F52 V181 L182 I183 P215 I216 V217 | V7-V9 HydrophobicContact CG1-CG2 4.33Å; V7-I45 HydrophobicContact CG1-CD1 4.48Å; V7-M50 HydrophobicContact CG2-SD 3.84Å; V7-F52 HydrophobicContact CB-CE1 3.73Å; V7-F52 HydrophobicContact CB-CZ 4.04Å; V7-F52 HydrophobicContact CG1-CZ 4.34Å; V7-F52 HydrophobicContact CG2-CE1 3.58Å; V7-F52 HydrophobicContact CG2-CZ 3.96Å; V7-V181 PolarHBondContact N-O 2.98Å; V7-L182 HydrophobicContact CB-CD1 3.97Å; V7-L182 HydrophobicContact CG1-CD1 3.72Å; V7-L182 CarbonylContact O-C 3.55Å; V7-L182 WeakPolarHBondContact O-CA 3.32Å; V7-I183 PolarHBondContact O-N 3.17Å; V7-P215 HydrophobicContact CG1-CB 3.93Å; V7-I216 CarbonylContact C-O 3.53Å; V7-I216 VanDerWaalsContact CA-O 3.32Å; V7-I216 WeakPolarHBondContact CA-O 3.46Å; V7-V217 HydrophobicContact CG2-CG2 4.23Å |
| 8 | M | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140 | 174.5 | -59.4 | -168.9 | -71.6 | 0 | 0 | 110 | L6 I183 L190 I193 V194 L197 I216 Y218 | L6-M8 HydrophobicContact CD1-CG 4.29Å; L6-M8 HydrophobicContact CD2-CE 4.42Å; L6-M8 HydrophobicContact CD2-CG 4.05Å; L6-M8 HydrophobicContact CD2-SD 4.09Å; L6-M8 HydrophobicContact CG-CG 4.01Å; M8-I183 CarbonylContact C-O 3.59Å; M8-I183 VanDerWaalsContact CA-O 3.29Å; M8-I183 WeakPolarHBondContact CA-O 3.15Å; M8-I183 HydrophobicContact CG-CB 4.15Å; M8-I183 HydrophobicContact CG-CD1 4.19Å; M8-I183 HydrophobicContact CG-CG1 4.44Å; M8-I183 HydrophobicContact SD-CD1 4.32Å; M8-L190 HydrophobicContact CB-CD1 4.42Å; M8-L190 HydrophobicContact CB-CD2 4.05Å; M8-L190 HydrophobicContact CG-CD2 4.3Å; M8-L190 HydrophobicContact SD-CD2 3.84Å; M8-I193 HydrophobicContact CE-CG2 4.38Å; M8-I193 HydrophobicContact SD-CB 4.25Å; M8-I193 HydrophobicContact SD-CD1 4.43Å; M8-I193 HydrophobicContact SD-CG2 3.79Å; M8-V194 HydrophobicContact CE-CG2 3.81Å; M8-L197 HydrophobicContact CE-CD1 4.37Å; M8-I216 PolarHBondContact N-O 2.9Å; M8-I216 WeakPolarHBondContact O-CA 3.35Å; M8-I216 WeakPolarHBondContact O-CB 3.46Å; M8-I216 PolarHBondContact O-N 3.48Å; M8-Y218 HydrophobicContact CE-CD2 3.65Å; M8-Y218 HydrophobicContact CE-CE2 3.36Å |
| 9 | V | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.8 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | V7 T66 I70 L182 I183 A184 A185 P215 | V7-V9 HydrophobicContact CG1-CG2 4.33Å; V9-T66 HydrophobicContact CG1-CG2 4.06Å; V9-I70 HydrophobicContact CB-CD1 4.25Å; V9-I70 HydrophobicContact CG1-CD1 4.19Å; V9-I70 HydrophobicContact CG2-CD1 3.88Å; V9-L182 HydrophobicContact CG2-CD1 4.14Å; V9-I183 PolarHBondContact N-O 3.39Å; V9-A184 WeakPolarHBondContact O-CA 3.45Å; V9-A185 PolarHBondContact O-N 3.49Å; V9-P215 HydrophobicContact CG2-CB 3.82Å; V9-P215 HydrophobicContact CG2-CG 4.13Å |
| 10 | R | 98.2 | Very high | 91.1 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.3 | 163.5 | 177.4 | -174.6 | 172.3 | -172.4 | -5.8 | 107.5 | A185 L190 L210 P211 T212 G213 | R10-A185 WeakPolarHBondContact CA-O 3.42Å; R10-L190 HydrophobicContact CB-CD1 4.12Å; R10-L210 WeakPolarHBondContact CD-O 3.41Å; R10-L210 PolarHBondContact NH1-O 3.16Å; R10-P211 WeakPolarHBondContact CB-O 3.34Å; R10-T212 HydrophobicContact CG-CG2 4.41Å; R10-T212 VanDerWaalsContact CZ-CG2 3.45Å; R10-G213 WeakPolarHBondContact O-CA 3.43Å; R10-G213 PolarHBondContact O-N 3.01Å |
| 11 | H | 98.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 154 | 176.6 | 70 | 80.1 | 0 | 0 | 0 | 113.1 | L30 R62 T66 A185 H186 T212 | H11-L30 HydrophobicContact CB-CD2 4.44Å; H11-R62 WeakPolarHBondContact CE1-CD 3.39Å; H11-R62 PolarHBondContact NE2-NE 3.29Å; H11-T66 WeakPolarHBondContact CA-OG1 3.37Å; H11-T66 VanDerWaalsContact CB-OG1 3.31Å; H11-T66 WeakPolarHBondContact CB-OG1 3.38Å; H11-A185 PolarHBondContact CD2-O 2.97Å; H11-A185 PolarHBondContact N-O 3.41Å; H11-H186 AromaticContact CD2-CE1 3.6Å; H11-H186 AromaticContact CD2-CG 3.82Å; H11-H186 AromaticContact CD2-ND1 2.99Å; H11-H186 PolarHBondContact CD2-ND1 3.47Å; H11-H186 AromaticContact NE2-CE1 3.82Å; H11-H186 AromaticContact NE2-CG 3.99Å; H11-H186 AromaticContact NE2-ND1 3Å; H11-H186 PolarHBondContact NE2-ND1 3.16Å; H11-T212 WeakPolarHBondContact O-CB 3.2Å; H11-T212 WeakPolarHBondContact O-CG2 3.32Å |
| 12 | G | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 167.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S14 L30 E37 T66 | G12-S14 PolarHBondContact O-N 2.99Å; G12-L30 VanDerWaalsContact O-CD2 3.29Å; G12-L30 WeakPolarHBondContact O-CD2 3.34Å; G12-E37 WeakPolarHBondContact CA-OE2 3.48Å; G12-T66 PolarHBondContact N-OG1 3.3Å |
| 13 | E | 96.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 15% | 0.154 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 130.4 | 176.9 | -168.1 | -176.5 | -100.1 | 0 | 0 | 112.7 | N17 Q18 S31 K33 G34 E37 | E13-N17 HydrophobicContact CG-CB 3.82Å; E13-Q18 VanDerWaalsContact CD-CG 3.43Å; E13-Q18 HydrophobicContact CG-CG 3.88Å; E13-Q18 VanDerWaalsContact OE2-CD 3.28Å; E13-Q18 WeakPolarHBondContact OE2-CG 3.46Å; E13-Q18 PolarHBondContact OE2-NE2 3.43Å; E13-S31 PolarHBondContact O-N 3.06Å; E13-S31 PolarHBondContact O-OG 2.81Å; E13-S31 PolarHBondContact OE2-OG 2.92Å; E13-K33 IonicContact OE1-NZ 3.26Å; E13-K33 PolarHBondContact OE1-NZ 3.26Å; E13-K33 WeakPolarHBondContact OE2-CD 3.31Å; E13-K33 IonicContact OE2-NZ 2.62Å; E13-G34 VanDerWaalsContact O-CA 3.32Å; E13-G34 WeakPolarHBondContact O-CA 3.48Å; E13-E37 PolarHBondContact N-OE2 3.43Å |
| 14 | S | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 161 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | G12 W16 N17 Q18 E29 | G12-S14 PolarHBondContact O-N 2.99Å; S14-W16 PolarHBondContact O-N 3.29Å; S14-N17 PolarHBondContact N-OD1 3.38Å; S14-N17 WeakPolarHBondContact O-CA 3.27Å; S14-N17 WeakPolarHBondContact O-CB 3.23Å; S14-N17 PolarHBondContact O-N 3.44Å; S14-N17 PolarHBondContact OG-N 3.08Å; S14-N17 PolarHBondContact OG-OD1 3.34Å; S14-Q18 PolarHBondContact O-N 2.98Å; S14-Q18 VanDerWaalsContact O-N 3.15Å; S14-E29 VanDerWaalsContact CA-O 3.3Å; S14-E29 WeakPolarHBondContact CA-O 3.43Å; S14-E29 VanDerWaalsContact CB-O 3.29Å; S14-E29 WeakPolarHBondContact CB-O 3.5Å |
| 15 | T | 96.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -48.6 | -43.8 | 171.1 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | N17 Q18 E19 E29 | T15-N17 VanDerWaalsContact C-N 3.35Å; T15-N17 PolarHBondContact O-N 3.05Å; T15-Q18 WeakPolarHBondContact O-CB 3.46Å; T15-Q18 PolarHBondContact O-N 3.49Å; T15-E19 PolarHBondContact O-N 3.21Å; T15-E19 VanDerWaalsContact O-N 3.16Å; T15-E29 PolarHBondContact N-O 3.29Å; T15-E29 PolarHBondContact OG1-O 3.04Å |
| 16 | W | 95.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 7% | 0.068 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.3 | -18.4 | 176.8 | -80 | 24.3 | 0 | 0 | 0 | 114.8 | S14 N20 R21 F22 C23 F26 A28 T96 Y132 | S14-W16 PolarHBondContact O-N 3.29Å; W16-N20 PolarHBondContact O-N 3.24Å; W16-R21 HydrophobicContact CB-CB 4.21Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 HydrophobicContact CE3-CB 4.01Å; W16-R21 HydrophobicContact CG-CB 4.28Å; W16-R21 PolarHBondContact O-N 2.87Å; W16-F22 WeakPolarHBondContact CZ3-O 3.44Å; W16-C23 HydrophobicContact CB-CB 4.11Å; W16-C23 HydrophobicContact CE3-CB 4.05Å; W16-F26 AromaticContact CD2-CD1 3.65Å; W16-F26 HydrophobicContact CD2-CD1 3.65Å; W16-F26 AromaticContact CD2-CE1 3.94Å; W16-F26 HydrophobicContact CD2-CE1 3.94Å; W16-F26 HydrophobicContact CD2-CG 4.5Å; W16-F26 AromaticContact CE2-CD1 3.41Å; W16-F26 VanDerWaalsContact CE2-CD1 3.41Å; W16-F26 AromaticContact CE2-CE1 3.29Å; W16-F26 HydrophobicContact CE3-CB 4.35Å; W16-F26 AromaticContact CE3-CD1 3.82Å; W16-F26 HydrophobicContact CE3-CD1 3.82Å; W16-F26 HydrophobicContact CE3-CG 4.3Å; W16-F26 HydrophobicContact CG-CD1 4.4Å; W16-F26 HydrophobicContact CG-CE1 4.5Å; W16-F26 HydrophobicContact CH2-CB 3.8Å; W16-F26 AromaticContact CH2-CD1 3.42Å; W16-F26 HydrophobicContact CH2-CD1 3.42Å; W16-F26 VanDerWaalsContact CH2-CD1 3.42Å; W16-F26 AromaticContact CH2-CD2 3.78Å; W16-F26 HydrophobicContact CH2-CD2 3.78Å; W16-F26 AromaticContact CH2-CE1 3.89Å; W16-F26 HydrophobicContact CH2-CE1 3.89Å; W16-F26 HydrophobicContact CH2-CE2 4.2Å; W16-F26 AromaticContact CH2-CG 3.36Å; W16-F26 HydrophobicContact CH2-CG 3.36Å; W16-F26 HydrophobicContact CH2-CZ 4.26Å; W16-F26 AromaticContact CZ2-CD1 3.32Å; W16-F26 HydrophobicContact CZ2-CD1 3.32Å; W16-F26 HydrophobicContact CZ2-CD2 4.01Å; W16-F26 AromaticContact CZ2-CE1 3.29Å; W16-F26 HydrophobicContact CZ2-CE1 3.29Å; W16-F26 AromaticContact CZ2-CE2 3.97Å; W16-F26 HydrophobicContact CZ2-CE2 3.97Å; W16-F26 AromaticContact CZ2-CG 3.7Å; W16-F26 HydrophobicContact CZ2-CG 3.7Å; W16-F26 AromaticContact CZ2-CZ 3.62Å; W16-F26 HydrophobicContact CZ2-CZ 3.62Å; W16-F26 HydrophobicContact CZ3-CB 3.68Å; W16-F26 AromaticContact CZ3-CD1 3.67Å; W16-F26 HydrophobicContact CZ3-CD1 3.67Å; W16-F26 HydrophobicContact CZ3-CE1 4.47Å; W16-F26 AromaticContact CZ3-CG 3.7Å; W16-F26 HydrophobicContact CZ3-CG 3.7Å; W16-F26 AromaticContact NE1-CE1 3.6Å; W16-A28 HydrophobicContact CB-CB 4.34Å; W16-A28 HydrophobicContact CG-CB 4.28Å; W16-T96 HydrophobicContact CH2-CG2 4.48Å; W16-T96 HydrophobicContact CZ3-CG2 4.07Å; W16-Y132 HydrophobicContact CH2-CD1 4.2Å; W16-Y132 HydrophobicContact CH2-CD2 4.31Å; W16-Y132 AromaticContact CH2-CE1 3.73Å; W16-Y132 HydrophobicContact CH2-CE1 3.73Å; W16-Y132 AromaticContact CH2-CE2 3.86Å; W16-Y132 HydrophobicContact CH2-CE2 3.86Å; W16-Y132 HydrophobicContact CH2-CG 4.47Å; W16-Y132 AromaticContact CH2-CZ 3.54Å; W16-Y132 AromaticContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE2 4.38Å; W16-Y132 AromaticContact CZ2-CZ 3.64Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.49Å |
| 17 | N | 88.6 | Confident | 95.5 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -39.3 | 168.6 | -61 | 139.1 | 0 | 0 | 0 | 110.9 | E13 S14 T15 E19 N20 | E13-N17 HydrophobicContact CG-CB 3.82Å; S14-N17 PolarHBondContact N-OD1 3.38Å; S14-N17 WeakPolarHBondContact O-CA 3.27Å; S14-N17 WeakPolarHBondContact O-CB 3.23Å; S14-N17 PolarHBondContact O-N 3.44Å; S14-N17 PolarHBondContact OG-N 3.08Å; S14-N17 PolarHBondContact OG-OD1 3.34Å; T15-N17 VanDerWaalsContact C-N 3.35Å; T15-N17 PolarHBondContact O-N 3.05Å; N17-E19 VanDerWaalsContact C-N 3.34Å; N17-N20 PolarHBondContact O-N 2.73Å; N17-N20 VanDerWaalsContact O-N 3.11Å |
| 18 | Q | 89.3 | Confident | 95.5 | Very high | 105 Ų | 105 | 29 Ų | 29 | 49% | 0.491 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.1 | -44 | 174.7 | -65.3 | -178.1 | -37.5 | 0 | 0 | 111.7 | E13 S14 T15 N20 S31 | E13-Q18 VanDerWaalsContact CD-CG 3.43Å; E13-Q18 HydrophobicContact CG-CG 3.88Å; E13-Q18 VanDerWaalsContact OE2-CD 3.28Å; E13-Q18 WeakPolarHBondContact OE2-CG 3.46Å; E13-Q18 PolarHBondContact OE2-NE2 3.43Å; S14-Q18 PolarHBondContact O-N 2.98Å; S14-Q18 VanDerWaalsContact O-N 3.15Å; T15-Q18 WeakPolarHBondContact O-CB 3.46Å; T15-Q18 PolarHBondContact O-N 3.49Å; Q18-N20 PolarHBondContact O-N 2.85Å; Q18-S31 PolarHBondContact NE2-OG 3.44Å; Q18-S31 VanDerWaalsContact NE2-OG 3.1Å |
| 19 | E | 91.1 | Very high | 95.5 | Very high | 91 Ų | 91 | 31.6 Ų | 31.6 | 43% | 0.425 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 4.3 | 176.9 | -63.6 | 175.4 | -142.4 | 0 | 0 | 114 | T15 N17 R21 N99 | T15-E19 PolarHBondContact O-N 3.21Å; T15-E19 VanDerWaalsContact O-N 3.16Å; N17-E19 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.04Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R21 WeakPolarHBondContact OE2-CD 3.48Å; E19-R21 IonicContact OE2-CZ 2.78Å; E19-R21 IonicContact OE2-NE 3.87Å; E19-R21 PolarHBondContact OE2-NE 2.95Å; E19-R21 IonicContact OE2-NH2 3.62Å; E19-N99 PolarHBondContact O-ND2 2.81Å |
| 20 | N | 89.3 | Confident | 95.5 | Very high | 65 Ų | 65 | 32.4 Ų | 32.4 | 35% | 0.348 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.1 | -177.5 | -164.7 | 36 | 0 | 0 | 0 | 114 | W16 N17 Q18 K100 | W16-N20 PolarHBondContact O-N 3.24Å; N17-N20 PolarHBondContact O-N 2.73Å; N17-N20 VanDerWaalsContact O-N 3.11Å; Q18-N20 PolarHBondContact O-N 2.85Å; N20-K100 WeakPolarHBondContact O-CG 3.31Å; N20-K100 PolarHBondContact O-N 3.25Å; N20-K100 WeakPolarHBondContact OD1-CD 3.4Å |
| 21 | R | 93.5 | Very high | 95.5 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | B | Isolated β-bridge | trans | -94.5 | 153.7 | 178.4 | -65 | -179.3 | -172.7 | -95.3 | -0.5 | 112.6 | W16 E19 C23 G97 L98 | W16-R21 HydrophobicContact CB-CB 4.21Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 HydrophobicContact CE3-CB 4.01Å; W16-R21 HydrophobicContact CG-CB 4.28Å; W16-R21 PolarHBondContact O-N 2.87Å; E19-R21 HydrophobicContact CB-CG 4.04Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R21 WeakPolarHBondContact OE2-CD 3.48Å; E19-R21 IonicContact OE2-CZ 2.78Å; E19-R21 IonicContact OE2-NE 3.87Å; E19-R21 PolarHBondContact OE2-NE 2.95Å; E19-R21 IonicContact OE2-NH2 3.62Å; R21-C23 PolarHBondContact O-N 3.26Å; R21-G97 WeakPolarHBondContact CD-O 3.4Å; R21-G97 PolarHBondContact NH1-O 3.48Å; R21-L98 CarbonylContact C-O 3.6Å; R21-L98 VanDerWaalsContact CA-O 3.26Å; R21-L98 WeakPolarHBondContact CA-O 3.3Å |
| 22 | F | 93.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -73 | 105.9 | 167 | -72.4 | -82.8 | 0 | 0 | 0 | 110.3 | W16 Y92 L95 T96 G97 L98 K100 T103 V112 R116 | W16-F22 WeakPolarHBondContact CZ3-O 3.44Å; F22-Y92 HydrophobicContact CB-CD2 4.24Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.74Å; F22-Y92 HydrophobicContact CD1-CD1 3.74Å; F22-Y92 HydrophobicContact CD1-CD2 4.09Å; F22-Y92 AromaticContact CD1-CE1 3.97Å; F22-Y92 HydrophobicContact CD1-CE1 3.97Å; F22-Y92 HydrophobicContact CD1-CE2 4.3Å; F22-Y92 AromaticContact CD1-CG 3.82Å; F22-Y92 HydrophobicContact CD1-CG 3.82Å; F22-Y92 HydrophobicContact CE1-CD1 4.18Å; F22-Y92 HydrophobicContact CE1-CE1 4.21Å; F22-Y92 HydrophobicContact CG-CG 4.47Å; F22-L95 HydrophobicContact CB-CB 4.4Å; F22-L95 VanDerWaalsContact CB-O 3.31Å; F22-L95 WeakPolarHBondContact CB-O 3.4Å; F22-L95 HydrophobicContact CD2-CB 4.04Å; F22-L95 HydrophobicContact CE1-CD1 4.37Å; F22-L95 HydrophobicContact CE2-CB 4.4Å; F22-L95 HydrophobicContact CE2-CD1 4.45Å; F22-L95 HydrophobicContact CG-CB 4.12Å; F22-L95 HydrophobicContact CZ-CD1 4.22Å; F22-T96 WeakPolarHBondContact O-CA 3.43Å; F22-G97 PolarHBondContact O-N 2.93Å; F22-L98 HydrophobicContact CD2-CB 4.45Å; F22-L98 WeakPolarHBondContact CD2-O 3.41Å; F22-L98 PolarHBondContact N-O 3.47Å; F22-K100 HydrophobicContact CD1-CG 4.37Å; F22-K100 HydrophobicContact CD2-CG 3.78Å; F22-K100 HydrophobicContact CE1-CG 4.16Å; F22-K100 HydrophobicContact CE2-CB 4.19Å; F22-K100 HydrophobicContact CE2-CG 3.54Å; F22-K100 HydrophobicContact CG-CG 4.2Å; F22-K100 HydrophobicContact CZ-CB 4.48Å; F22-K100 HydrophobicContact CZ-CG 3.75Å; F22-T103 HydrophobicContact CE2-CG2 4.38Å; F22-V112 HydrophobicContact CZ-CG1 4.21Å; F22-R116 HydrophobicContact CE1-CG 3.63Å; F22-R116 HydrophobicContact CZ-CG 3.9Å | ||
| 23 | C | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | trans | -80.5 | -63 | -179.3 | -175.2 | 0 | 0 | 0 | 0 | 113 | W16 R21 W25 F26 A28 R62 | W16-C23 HydrophobicContact CB-CB 4.11Å; W16-C23 HydrophobicContact CE3-CB 4.05Å; R21-C23 PolarHBondContact O-N 3.26Å; C23-W25 PolarHBondContact O-N 3.21Å; C23-F26 WeakPolarHBondContact O-CB 3.35Å; C23-F26 PolarHBondContact O-N 2.81Å; C23-F26 VanDerWaalsContact O-N 3.15Å; C23-F26 PolarHBondContact SG-O 3.22Å; C23-A28 VanDerWaalsContact SG-CB 3.57Å; C23-R62 PolarHBondContact SG-NH1 3.23Å | ||
| 24 | G | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -123.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | R62 R90 | G24-R62 PolarHBondContact O-NH2 3.1Å; G24-R90 VanDerWaalsContact CA-O 3.28Å; G24-R90 WeakPolarHBondContact CA-O 3.4Å |
| 25 | W | 98.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3 | -177.1 | -75.4 | 35.6 | 0 | 0 | 0 | 114.6 | C23 D27 W85 N88 E89 H91 I136 Y142 L150 P151 | C23-W25 PolarHBondContact O-N 3.21Å; W25-D27 PolarHBondContact O-N 3.14Å; W25-W85 HydrophobicContact CH2-CD2 4.45Å; W25-W85 AromaticContact CH2-CE3 3.58Å; W25-W85 HydrophobicContact CH2-CE3 3.58Å; W25-W85 HydrophobicContact CH2-CZ3 4.08Å; W25-W85 AromaticContact CZ2-CE3 3.85Å; W25-W85 HydrophobicContact CZ2-CE3 3.85Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; W25-N88 HydrophobicContact CZ2-CB 4.23Å; W25-E89 PolarHBondContact NE1-O 2.95Å; W25-H91 AromaticContact CD1-CD2 3.91Å; W25-H91 AromaticContact CD1-CG 3.93Å; W25-H91 HydrophobicContact CD2-CB 4.38Å; W25-H91 AromaticContact CD2-CD2 3.38Å; W25-H91 AromaticContact CE2-CD2 3.78Å; W25-H91 AromaticContact CE3-CD2 3.76Å; W25-H91 HydrophobicContact CG-CB 4.18Å; W25-H91 AromaticContact CG-CD2 3.48Å; W25-H91 VanDerWaalsContact CG-CD2 3.48Å; W25-H91 AromaticContact CG-CG 3.9Å; W25-I136 HydrophobicContact CB-CG2 3.74Å; W25-I136 HydrophobicContact CE3-CG2 4.33Å; W25-Y142 AromaticContact CE3-CE1 3.84Å; W25-Y142 HydrophobicContact CE3-CE1 3.84Å; W25-Y142 HydrophobicContact CE3-CE2 4.12Å; W25-Y142 AromaticContact CE3-CZ 3.6Å; W25-Y142 HydrophobicContact CH2-CE1 4.32Å; W25-Y142 AromaticContact CZ3-CD1 3.84Å; W25-Y142 HydrophobicContact CZ3-CD1 3.84Å; W25-Y142 AromaticContact CZ3-CE1 3.48Å; W25-Y142 HydrophobicContact CZ3-CE1 3.48Å; W25-Y142 VanDerWaalsContact CZ3-CE1 3.48Å; W25-Y142 HydrophobicContact CZ3-CE2 4.34Å; W25-Y142 HydrophobicContact CZ3-CG 4.41Å; W25-Y142 AromaticContact CZ3-CZ 3.75Å; W25-L150 HydrophobicContact CE3-CD1 4.15Å; W25-L150 HydrophobicContact CH2-CD1 3.95Å; W25-L150 HydrophobicContact CZ3-CD1 3.3Å; W25-P151 HydrophobicContact CH2-CG 3.84Å; W25-P151 HydrophobicContact CZ2-CG 3.66Å |
| 26 | F | 98.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -60.8 | 133.7 | 168.3 | 179.5 | -103.4 | 0 | 0 | 0 | 109.6 | W16 C23 A28 R62 T96 Y132 I136 | W16-F26 AromaticContact CD2-CD1 3.65Å; W16-F26 HydrophobicContact CD2-CD1 3.65Å; W16-F26 AromaticContact CD2-CE1 3.94Å; W16-F26 HydrophobicContact CD2-CE1 3.94Å; W16-F26 HydrophobicContact CD2-CG 4.5Å; W16-F26 AromaticContact CE2-CD1 3.41Å; W16-F26 VanDerWaalsContact CE2-CD1 3.41Å; W16-F26 AromaticContact CE2-CE1 3.29Å; W16-F26 HydrophobicContact CE3-CB 4.35Å; W16-F26 AromaticContact CE3-CD1 3.82Å; W16-F26 HydrophobicContact CE3-CD1 3.82Å; W16-F26 HydrophobicContact CE3-CG 4.3Å; W16-F26 HydrophobicContact CG-CD1 4.4Å; W16-F26 HydrophobicContact CG-CE1 4.5Å; W16-F26 HydrophobicContact CH2-CB 3.8Å; W16-F26 AromaticContact CH2-CD1 3.42Å; W16-F26 HydrophobicContact CH2-CD1 3.42Å; W16-F26 VanDerWaalsContact CH2-CD1 3.42Å; W16-F26 AromaticContact CH2-CD2 3.78Å; W16-F26 HydrophobicContact CH2-CD2 3.78Å; W16-F26 AromaticContact CH2-CE1 3.89Å; W16-F26 HydrophobicContact CH2-CE1 3.89Å; W16-F26 HydrophobicContact CH2-CE2 4.2Å; W16-F26 AromaticContact CH2-CG 3.36Å; W16-F26 HydrophobicContact CH2-CG 3.36Å; W16-F26 HydrophobicContact CH2-CZ 4.26Å; W16-F26 AromaticContact CZ2-CD1 3.32Å; W16-F26 HydrophobicContact CZ2-CD1 3.32Å; W16-F26 HydrophobicContact CZ2-CD2 4.01Å; W16-F26 AromaticContact CZ2-CE1 3.29Å; W16-F26 HydrophobicContact CZ2-CE1 3.29Å; W16-F26 AromaticContact CZ2-CE2 3.97Å; W16-F26 HydrophobicContact CZ2-CE2 3.97Å; W16-F26 AromaticContact CZ2-CG 3.7Å; W16-F26 HydrophobicContact CZ2-CG 3.7Å; W16-F26 AromaticContact CZ2-CZ 3.62Å; W16-F26 HydrophobicContact CZ2-CZ 3.62Å; W16-F26 HydrophobicContact CZ3-CB 3.68Å; W16-F26 AromaticContact CZ3-CD1 3.67Å; W16-F26 HydrophobicContact CZ3-CD1 3.67Å; W16-F26 HydrophobicContact CZ3-CE1 4.47Å; W16-F26 AromaticContact CZ3-CG 3.7Å; W16-F26 HydrophobicContact CZ3-CG 3.7Å; W16-F26 AromaticContact NE1-CE1 3.6Å; C23-F26 WeakPolarHBondContact O-CB 3.35Å; C23-F26 PolarHBondContact O-N 2.81Å; C23-F26 VanDerWaalsContact O-N 3.15Å; C23-F26 PolarHBondContact SG-O 3.22Å; F26-A28 HydrophobicContact CD1-CB 3.77Å; F26-A28 HydrophobicContact CE1-CB 3.93Å; F26-A28 PolarHBondContact O-N 2.91Å; F26-R62 PolarHBondContact O-NH1 3.35Å; F26-T96 HydrophobicContact CB-CG2 4.11Å; F26-Y132 AromaticContact CD2-CD1 3.6Å; F26-Y132 HydrophobicContact CD2-CD1 3.6Å; F26-Y132 AromaticContact CD2-CE1 3.92Å; F26-Y132 HydrophobicContact CD2-CE1 3.92Å; F26-Y132 HydrophobicContact CD2-CG 4.43Å; F26-Y132 AromaticContact CE2-CD1 3.72Å; F26-Y132 HydrophobicContact CE2-CD1 3.72Å; F26-Y132 AromaticContact CE2-CE1 3.68Å; F26-Y132 HydrophobicContact CE2-CE1 3.68Å; F26-Y132 HydrophobicContact CZ-CE1 4.39Å; F26-I136 HydrophobicContact CB-CD1 4.14Å |
| 27 | D | 98.4 | Very high | 95.7 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | trans | -84.5 | 52.8 | -172.5 | -159.8 | 20.6 | 0 | 0 | 0 | 112 | W25 L60 K61 R141 | W25-D27 PolarHBondContact O-N 3.14Å; D27-L60 WeakPolarHBondContact OD1-CA 3.41Å; D27-K61 WeakPolarHBondContact O-CD 3.49Å; D27-K61 WeakPolarHBondContact O-CE 3.38Å; D27-K61 PolarHBondContact O-NZ 3.09Å; D27-K61 WeakPolarHBondContact OD1-CG 3.23Å; D27-K61 PolarHBondContact OD1-N 2.71Å; D27-K61 WeakPolarHBondContact OD2-CE 3.44Å; D27-K61 IonicContact OD2-NZ 2.91Å; D27-R141 VanDerWaalsContact CG-NH1 3.28Å; D27-R141 IonicContact OD1-NH1 2.7Å; D27-R141 IonicContact OD2-CZ 3.84Å; D27-R141 IonicContact OD2-NH1 2.98Å; D27-R141 PolarHBondContact OD2-NH1 3.39Å; D27-R141 IonicContact OD2-NH2 3.87Å; D27-R141 PolarHBondContact OD2-NH2 3.46Å | ||
| 28 | A | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 142.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W16 C23 F26 | W16-A28 HydrophobicContact CB-CB 4.34Å; W16-A28 HydrophobicContact CG-CB 4.28Å; C23-A28 VanDerWaalsContact SG-CB 3.57Å; F26-A28 HydrophobicContact CD1-CB 3.77Å; F26-A28 HydrophobicContact CE1-CB 3.93Å; F26-A28 PolarHBondContact O-N 2.91Å |
| 29 | E | 98.4 | Very high | 96.6 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 158.1 | 174.3 | -164.5 | 54.1 | -81.3 | 0 | 0 | 111.7 | S14 T15 K61 R65 | S14-E29 VanDerWaalsContact CA-O 3.3Å; S14-E29 WeakPolarHBondContact CA-O 3.43Å; S14-E29 VanDerWaalsContact CB-O 3.29Å; S14-E29 WeakPolarHBondContact CB-O 3.5Å; T15-E29 PolarHBondContact N-O 3.29Å; T15-E29 PolarHBondContact OG1-O 3.04Å; E29-K61 HydrophobicContact CB-CD 4.32Å; E29-K61 VanDerWaalsContact OE2-CD 3.28Å; E29-K61 WeakPolarHBondContact OE2-CD 3.21Å; E29-R65 WeakPolarHBondContact OE1-CD 3.17Å; E29-R65 IonicContact OE1-NE 2.79Å; E29-R65 PolarHBondContact OE1-NE 3.38Å; E29-R65 IonicContact OE2-CZ 2.62Å; E29-R65 VanDerWaalsContact OE2-CZ 3.23Å; E29-R65 IonicContact OE2-NE 3.14Å; E29-R65 PolarHBondContact OE2-NE 2.84Å; E29-R65 IonicContact OE2-NH2 2.72Å; E29-R65 PolarHBondContact OE2-NH2 2.87Å |
| 30 | L | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 143.6 | 163.4 | -68.3 | 174.7 | 0 | 0 | 0 | 110 | H11 G12 R62 R65 | H11-L30 HydrophobicContact CB-CD2 4.44Å; G12-L30 VanDerWaalsContact O-CD2 3.29Å; G12-L30 WeakPolarHBondContact O-CD2 3.34Å; L30-R62 HydrophobicContact CD2-CB 3.88Å; L30-R62 HydrophobicContact CG-CB 4.09Å; L30-R65 HydrophobicContact CD1-CB 3.82Å |
| 31 | S | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 171.4 | 163.5 | 66.7 | 0 | 0 | 0 | 0 | 110.5 | E13 Q18 K33 G34 A35 | E13-S31 PolarHBondContact O-N 3.06Å; E13-S31 PolarHBondContact O-OG 2.81Å; E13-S31 PolarHBondContact OE2-OG 2.92Å; Q18-S31 PolarHBondContact NE2-OG 3.44Å; Q18-S31 VanDerWaalsContact NE2-OG 3.1Å; S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact O-N 3.23Å; S31-G34 PolarHBondContact O-N 3.42Å; S31-G34 VanDerWaalsContact O-N 3.08Å; S31-G34 PolarHBondContact OG-N 3.12Å; S31-A35 PolarHBondContact O-N 2.86Å |
| 32 | E | 97.8 | Very high | 97.6 | Very high | 170 Ų | 170 | 39.7 Ų | 39.7 | 79% | 0.794 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -55.4 | -48 | 172 | -66.8 | -179.1 | 170.4 | 0 | 0 | 111 | G34 A35 E36 | E32-G34 VanDerWaalsContact C-N 3.33Å; E32-G34 PolarHBondContact O-N 3.12Å; E32-A35 WeakPolarHBondContact O-CB 3.48Å; E32-A35 PolarHBondContact O-N 3.14Å; E32-A35 VanDerWaalsContact O-N 3.14Å; E32-E36 PolarHBondContact O-N 3.39Å |
| 33 | K | 96.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.5 | -45 | 172.6 | 177.5 | 176.4 | 162.3 | -152.3 | 0 | 111.8 | E13 S31 A35 E36 E37 | E13-K33 IonicContact OE1-NZ 3.26Å; E13-K33 PolarHBondContact OE1-NZ 3.26Å; E13-K33 WeakPolarHBondContact OE2-CD 3.31Å; E13-K33 IonicContact OE2-NZ 2.62Å; S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact O-N 3.23Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 2.99Å; K33-E36 WeakPolarHBondContact O-CB 3.41Å; K33-E36 PolarHBondContact O-N 3.18Å; K33-E37 WeakPolarHBondContact CE-OE1 3.45Å; K33-E37 HydrophobicContact CG-CG 4.43Å; K33-E37 VanDerWaalsContact O-CG 3.29Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 2.88Å |
| 34 | G | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -34.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | E13 S31 E32 E37 A38 | E13-G34 VanDerWaalsContact O-CA 3.32Å; E13-G34 WeakPolarHBondContact O-CA 3.48Å; S31-G34 PolarHBondContact O-N 3.42Å; S31-G34 VanDerWaalsContact O-N 3.08Å; S31-G34 PolarHBondContact OG-N 3.12Å; E32-G34 VanDerWaalsContact C-N 3.33Å; E32-G34 PolarHBondContact O-N 3.12Å; G34-E37 PolarHBondContact O-N 3.42Å; G34-A38 PolarHBondContact O-N 3.12Å; G34-A38 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 98.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 21% | 0.207 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S31 E32 K33 A38 R39 | S31-A35 PolarHBondContact O-N 2.86Å; E32-A35 WeakPolarHBondContact O-CB 3.48Å; E32-A35 PolarHBondContact O-N 3.14Å; E32-A35 VanDerWaalsContact O-N 3.14Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 2.99Å; A35-A38 PolarHBondContact O-N 3.23Å; A35-R39 WeakPolarHBondContact O-CG 3.45Å; A35-R39 PolarHBondContact O-N 2.84Å |
| 36 | E | 97.8 | Very high | 98.1 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | 172.8 | -68.1 | 175.9 | 170.2 | 0 | 0 | 112.6 | E32 K33 A38 R39 R40 | E32-E36 PolarHBondContact O-N 3.39Å; K33-E36 WeakPolarHBondContact O-CB 3.41Å; K33-E36 PolarHBondContact O-N 3.18Å; E36-A38 VanDerWaalsContact C-N 3.29Å; E36-A38 PolarHBondContact O-N 3.12Å; E36-R39 PolarHBondContact O-N 2.7Å; E36-R40 WeakPolarHBondContact O-CB 3.27Å; E36-R40 PolarHBondContact O-N 3.09Å |
| 37 | E | 97.3 | Very high | 98 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 173.3 | -71.5 | -179.6 | 164.6 | 0 | 0 | 111.1 | G12 E13 K33 G34 R40 G41 T212 | G12-E37 WeakPolarHBondContact CA-OE2 3.48Å; E13-E37 PolarHBondContact N-OE2 3.43Å; K33-E37 WeakPolarHBondContact CE-OE1 3.45Å; K33-E37 HydrophobicContact CG-CG 4.43Å; K33-E37 VanDerWaalsContact O-CG 3.29Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 2.88Å; G34-E37 PolarHBondContact O-N 3.42Å; E37-R40 PolarHBondContact O-N 2.98Å; E37-G41 PolarHBondContact O-N 2.96Å; E37-T212 PolarHBondContact OE1-OG1 3.1Å; E37-T212 WeakPolarHBondContact OE2-CB 3.36Å; E37-T212 PolarHBondContact OE2-OG1 3.24Å; E37-T212 VanDerWaalsContact OE2-OG1 3.05Å |
| 38 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G34 A35 E36 R40 G41 A42 T66 A69 | G34-A38 PolarHBondContact O-N 3.12Å; G34-A38 VanDerWaalsContact O-N 3.08Å; A35-A38 PolarHBondContact O-N 3.23Å; E36-A38 VanDerWaalsContact C-N 3.29Å; E36-A38 PolarHBondContact O-N 3.12Å; A38-R40 VanDerWaalsContact C-N 3.35Å; A38-G41 PolarHBondContact O-N 2.88Å; A38-A42 PolarHBondContact O-N 3.42Å; A38-T66 HydrophobicContact CB-CG2 3.99Å; A38-A69 HydrophobicContact CB-CB 3.84Å |
| 39 | R | 98.4 | Very high | 98 | Very high | 157 Ų | 157 | 63 Ų | 63 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 175.2 | -68.1 | -177.9 | -161.9 | 114.6 | -1.2 | 112.2 | A35 E36 A42 K43 | A35-R39 WeakPolarHBondContact O-CG 3.45Å; A35-R39 PolarHBondContact O-N 2.84Å; E36-R39 PolarHBondContact O-N 2.7Å; R39-A42 VanDerWaalsContact O-CB 3.32Å; R39-A42 WeakPolarHBondContact O-CB 3.36Å; R39-A42 PolarHBondContact O-N 3.24Å; R39-K43 PolarHBondContact O-N 3.26Å |
| 40 | R | 97.8 | Very high | 98 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.4 | -173.7 | 174.2 | 61.7 | -112.4 | 1.9 | 111.3 | E36 E37 A38 A42 K43 A44 T238 | E36-R40 WeakPolarHBondContact O-CB 3.27Å; E36-R40 PolarHBondContact O-N 3.09Å; E37-R40 PolarHBondContact O-N 2.98Å; A38-R40 VanDerWaalsContact C-N 3.35Å; R40-A42 VanDerWaalsContact C-N 3.32Å; R40-A42 PolarHBondContact O-N 2.89Å; R40-K43 PolarHBondContact O-N 3.02Å; R40-A44 PolarHBondContact O-N 3.5Å; R40-T238 VanDerWaalsContact NE-CG2 3.33Å |
| 41 | G | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E37 A38 A44 I45 | E37-G41 PolarHBondContact O-N 2.96Å; A38-G41 PolarHBondContact O-N 2.88Å; G41-A44 PolarHBondContact O-N 2.94Å; G41-I45 WeakPolarHBondContact O-CG1 3.34Å; G41-I45 PolarHBondContact O-N 3.33Å |
| 42 | A | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A38 R39 R40 A44 I45 K46 A69 I70 T74 | A38-A42 PolarHBondContact O-N 3.42Å; R39-A42 VanDerWaalsContact O-CB 3.32Å; R39-A42 WeakPolarHBondContact O-CB 3.36Å; R39-A42 PolarHBondContact O-N 3.24Å; R40-A42 VanDerWaalsContact C-N 3.32Å; R40-A42 PolarHBondContact O-N 2.89Å; A42-A44 PolarHBondContact O-N 3.22Å; A42-I45 PolarHBondContact O-N 3.04Å; A42-K46 WeakPolarHBondContact O-CB 3.39Å; A42-K46 PolarHBondContact O-N 2.91Å; A42-A69 WeakPolarHBondContact CB-O 3.43Å; A42-I70 HydrophobicContact CB-CB 4.45Å; A42-I70 HydrophobicContact CB-CG1 4.3Å; A42-T74 WeakPolarHBondContact O-CG2 3.5Å |
| 43 | K | 98.2 | Very high | 98 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.5 | -168.4 | -167.1 | -177.9 | -50.3 | 0 | 111.4 | R39 R40 I45 K46 D47 | R39-K43 PolarHBondContact O-N 3.26Å; R40-K43 PolarHBondContact O-N 3.02Å; K43-I45 VanDerWaalsContact C-N 3.31Å; K43-I45 PolarHBondContact O-N 3.19Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 2.67Å; K43-K46 VanDerWaalsContact O-N 3.16Å; K43-D47 IonicContact NZ-OD1 2.77Å; K43-D47 PolarHBondContact NZ-OD1 3.04Å; K43-D47 IonicContact NZ-OD2 3.01Å; K43-D47 PolarHBondContact NZ-OD2 2.84Å; K43-D47 WeakPolarHBondContact O-CB 3Å; K43-D47 PolarHBondContact O-N 3.1Å |
| 44 | A | 98 | Very high | 98.1 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R40 G41 A42 A48 L233 | R40-A44 PolarHBondContact O-N 3.5Å; G41-A44 PolarHBondContact O-N 2.94Å; A42-A44 PolarHBondContact O-N 3.22Å; A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.33Å; A44-A48 PolarHBondContact O-N 3.49Å; A44-A48 VanDerWaalsContact O-N 3.08Å; A44-L233 HydrophobicContact CB-CB 4.04Å |
| 45 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 174.5 | -71.1 | 169.6 | 0 | 0 | 0 | 111 | V7 G41 A42 K43 A48 K49 M50 F52 I70 T74 P215 L233 | V7-I45 HydrophobicContact CG1-CD1 4.48Å; G41-I45 WeakPolarHBondContact O-CG1 3.34Å; G41-I45 PolarHBondContact O-N 3.33Å; A42-I45 PolarHBondContact O-N 3.04Å; K43-I45 VanDerWaalsContact C-N 3.31Å; K43-I45 PolarHBondContact O-N 3.19Å; I45-A48 CarbonylContact O-C 3.47Å; I45-A48 PolarHBondContact O-N 2.91Å; I45-K49 PolarHBondContact O-N 3.42Å; I45-M50 HydrophobicContact CG2-CB 3.9Å; I45-M50 PolarHBondContact O-N 3.48Å; I45-M50 VanDerWaalsContact O-N 3.09Å; I45-F52 HydrophobicContact CD1-CE2 4.46Å; I45-F52 HydrophobicContact CD1-CZ 4.36Å; I45-F52 HydrophobicContact CG2-CE2 3.56Å; I45-F52 HydrophobicContact CG2-CZ 3.83Å; I45-I70 HydrophobicContact CD1-CD1 4.37Å; I45-I70 HydrophobicContact CD1-CG1 4.43Å; I45-I70 HydrophobicContact CD1-CG2 3.59Å; I45-T74 HydrophobicContact CB-CG2 4.03Å; I45-T74 HydrophobicContact CG2-CG2 3.6Å; I45-P215 HydrophobicContact CD1-CB 4.07Å; I45-P215 HydrophobicContact CD1-CG 3.78Å; I45-P215 HydrophobicContact CG1-CB 4.03Å; I45-P215 HydrophobicContact CG1-CG 3.72Å; I45-L233 HydrophobicContact CG1-CD1 4.26Å |
| 46 | K | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 55% | 0.548 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 177.6 | -174.5 | -177.6 | -169.1 | 160.3 | 0 | 111.9 | A42 K43 A48 K49 G73 T74 | A42-K46 WeakPolarHBondContact O-CB 3.39Å; A42-K46 PolarHBondContact O-N 2.91Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 2.67Å; K43-K46 VanDerWaalsContact O-N 3.16Å; K46-A48 PolarHBondContact O-N 3.2Å; K46-K49 WeakPolarHBondContact O-CA 3.46Å; K46-K49 PolarHBondContact O-N 2.99Å; K46-G73 WeakPolarHBondContact CD-O 3.4Å; K46-T74 HydrophobicContact CB-CG2 4.14Å |
| 47 | D | 97.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 179.1 | -66.4 | -18.2 | 0 | 0 | 0 | 110.8 | K43 K49 | K43-D47 IonicContact NZ-OD1 2.77Å; K43-D47 PolarHBondContact NZ-OD1 3.04Å; K43-D47 IonicContact NZ-OD2 3.01Å; K43-D47 PolarHBondContact NZ-OD2 2.84Å; K43-D47 WeakPolarHBondContact O-CB 3Å; K43-D47 PolarHBondContact O-N 3.1Å; D47-K49 PolarHBondContact O-N 3.47Å |
| 48 | A | 97.4 | Very high | 98.4 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 1.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A44 I45 K46 M50 L233 | A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.33Å; A44-A48 PolarHBondContact O-N 3.49Å; A44-A48 VanDerWaalsContact O-N 3.08Å; I45-A48 CarbonylContact O-C 3.47Å; I45-A48 PolarHBondContact O-N 2.91Å; K46-A48 PolarHBondContact O-N 3.2Å; A48-M50 HydrophobicContact CB-CE 4.12Å; A48-M50 HydrophobicContact CB-CG 3.99Å; A48-M50 PolarHBondContact O-N 2.82Å; A48-L233 HydrophobicContact CB-CD1 4.4Å |
| 49 | K | 97.9 | Very high | 98.4 | Very high | 184 Ų | 184 | 49.7 Ų | 49.7 | 80% | 0.8 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.2 | -179.4 | -56.9 | 179.8 | -178.3 | 179.7 | 0 | 112.4 | I45 K46 D47 | I45-K49 PolarHBondContact O-N 3.42Å; K46-K49 WeakPolarHBondContact O-CA 3.46Å; K46-K49 PolarHBondContact O-N 2.99Å; D47-K49 PolarHBondContact O-N 3.47Å |
| 50 | M | 97.9 | Very high | 98.4 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | trans | -87.5 | 120.4 | 179.7 | -68.4 | -163.2 | -176.6 | 0 | 0 | 111 | V7 I45 A48 F52 Q76 V217 L233 | V7-M50 HydrophobicContact CG2-SD 3.84Å; I45-M50 HydrophobicContact CG2-CB 3.9Å; I45-M50 PolarHBondContact O-N 3.48Å; I45-M50 VanDerWaalsContact O-N 3.09Å; A48-M50 HydrophobicContact CB-CE 4.12Å; A48-M50 HydrophobicContact CB-CG 3.99Å; A48-M50 PolarHBondContact O-N 2.82Å; M50-F52 HydrophobicContact CB-CZ 4.21Å; M50-Q76 PolarHBondContact O-NE2 3.01Å; M50-V217 HydrophobicContact CE-CG1 4.22Å; M50-V217 HydrophobicContact CE-CG2 3.83Å; M50-V217 HydrophobicContact SD-CG2 4.27Å; M50-L233 HydrophobicContact CE-CD1 3.64Å; M50-L233 HydrophobicContact CE-CD2 4.08Å; M50-L233 HydrophobicContact CE-CG 4.43Å; M50-L233 HydrophobicContact SD-CD1 3.71Å | ||
| 51 | E | 98.3 | Very high | 98.5 | Very high | 108 Ų | 108 | 41.7 Ų | 41.7 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | trans | -102.3 | 153.7 | 171.5 | -67.4 | 172.2 | -173.1 | 0 | 0 | 110.6 | Q76 R180 | E51-Q76 VanDerWaalsContact CA-OE1 3.28Å; E51-R180 VanDerWaalsContact CB-CZ 3.42Å; E51-R180 WeakPolarHBondContact O-CB 3.45Å; E51-R180 WeakPolarHBondContact O-CD 3.29Å; E51-R180 PolarHBondContact O-NE 2.73Å; E51-R180 IonicContact OE2-CZ 2.77Å; E51-R180 IonicContact OE2-NH1 2.85Å; E51-R180 PolarHBondContact OE2-NH1 3.1Å; E51-R180 IonicContact OE2-NH2 3.51Å; E51-R180 PolarHBondContact OE2-NH2 3.33Å | ||
| 52 | F | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | trans | -129.2 | 161.4 | 179.9 | -54.3 | -70.1 | 0 | 0 | 0 | 111.1 | V7 I45 M50 L79 R180 L182 | V7-F52 HydrophobicContact CB-CE1 3.73Å; V7-F52 HydrophobicContact CB-CZ 4.04Å; V7-F52 HydrophobicContact CG1-CZ 4.34Å; V7-F52 HydrophobicContact CG2-CE1 3.58Å; V7-F52 HydrophobicContact CG2-CZ 3.96Å; I45-F52 HydrophobicContact CD1-CE2 4.46Å; I45-F52 HydrophobicContact CD1-CZ 4.36Å; I45-F52 HydrophobicContact CG2-CE2 3.56Å; I45-F52 HydrophobicContact CG2-CZ 3.83Å; M50-F52 HydrophobicContact CB-CZ 4.21Å; F52-L79 HydrophobicContact CB-CD1 3.63Å; F52-L79 WeakPolarHBondContact O-CD1 3.31Å; F52-L79 WeakPolarHBondContact O-CD2 3.32Å; F52-R180 WeakPolarHBondContact CA-O 3.41Å; F52-L182 HydrophobicContact CB-CB 4.5Å; F52-L182 HydrophobicContact CD1-CB 3.76Å; F52-L182 HydrophobicContact CD2-CB 4.19Å; F52-L182 HydrophobicContact CD2-CD2 4.08Å; F52-L182 HydrophobicContact CE1-CB 3.96Å; F52-L182 HydrophobicContact CE1-CD1 4.47Å; F52-L182 HydrophobicContact CE2-CB 4.34Å; F52-L182 HydrophobicContact CE2-CD2 3.95Å; F52-L182 HydrophobicContact CG-CB 3.88Å; F52-L182 HydrophobicContact CZ-CB 4.24Å; F52-L182 HydrophobicContact CZ-CD1 4.19Å; F52-L182 HydrophobicContact CZ-CD2 4.39Å | ||
| 53 | D | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -121.4 | -19.8 | 179.9 | -49.8 | -60.6 | 0 | 0 | 0 | 112 | P80 K179 R180 | D53-P80 WeakPolarHBondContact O-CD 3.48Å; D53-P80 WeakPolarHBondContact O-CG 3.38Å; D53-K179 HydrophobicContact CB-CB 4.02Å; D53-K179 HydrophobicContact CB-CD 4.28Å; D53-K179 HydrophobicContact CB-CG 4.17Å; D53-R180 PolarHBondContact N-O 3.11Å; D53-R180 IonicContact OD1-CZ 3.58Å; D53-R180 IonicContact OD1-NE 3.44Å; D53-R180 PolarHBondContact OD1-NE 3.5Å; D53-R180 IonicContact OD1-NH2 2.81Å; D53-R180 PolarHBondContact OD1-NH2 3.25Å; D53-R180 VanDerWaalsContact OD2-CB 3.31Å; D53-R180 WeakPolarHBondContact OD2-CB 3.47Å; D53-R180 WeakPolarHBondContact OD2-CG 3.44Å; D53-R180 IonicContact OD2-CZ 3.8Å; D53-R180 PolarHBondContact OD2-N 3.29Å; D53-R180 IonicContact OD2-NE 3.23Å; D53-R180 PolarHBondContact OD2-NE 3.3Å; D53-R180 IonicContact OD2-NH2 3.43Å |
| 54 | I | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 145 | 176 | -171.6 | 162.8 | 0 | 0 | 0 | 111.1 | Y56 P80 V82 Q174 K179 V181 L182 | I54-Y56 HydrophobicContact CD1-CE1 4.49Å; I54-Y56 HydrophobicContact CD1-CE2 4.3Å; I54-Y56 HydrophobicContact CG1-CE2 4.13Å; I54-Y56 HydrophobicContact CG2-CE2 3.97Å; I54-P80 HydrophobicContact CB-CG 4.32Å; I54-P80 HydrophobicContact CG1-CG 4.24Å; I54-V82 HydrophobicContact CD1-CG2 4.26Å; I54-Q174 HydrophobicContact CD1-CG 4.3Å; I54-Q174 HydrophobicContact CG2-CB 4.28Å; I54-Q174 HydrophobicContact CG2-CG 4.41Å; I54-K179 HydrophobicContact CG2-CB 4.44Å; I54-K179 HydrophobicContact CG2-CD 4.28Å; I54-V181 HydrophobicContact CG2-CG2 3.82Å; I54-L182 PolarHBondContact O-N 3.05Å; I54-L182 VanDerWaalsContact O-N 3.12Å |
| 55 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143 | 179.8 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | L67 P80 V81 V82 L182 | C55-L67 HydrophobicContact CB-CD1 3.84Å; C55-L67 HydrophobicContact CB-CD2 3.8Å; C55-L67 HydrophobicContact CB-CG 4.4Å; C55-P80 PolarHBondContact N-O 2.78Å; C55-V81 HydrophobicContact CB-CG2 4.21Å; C55-V81 WeakPolarHBondContact O-CA 3.44Å; C55-V82 PolarHBondContact O-N 3.47Å; C55-L182 CarbonylContact C-O 3.52Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 3.33Å |
| 56 | Y | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.9 | 175.7 | -63.7 | -82.8 | 0 | 0 | 0 | 110.7 | I54 V82 F166 E170 I171 Q174 V181 L182 I183 A184 | I54-Y56 HydrophobicContact CD1-CE1 4.49Å; I54-Y56 HydrophobicContact CD1-CE2 4.3Å; I54-Y56 HydrophobicContact CG1-CE2 4.13Å; I54-Y56 HydrophobicContact CG2-CE2 3.97Å; Y56-V82 WeakPolarHBondContact CA-O 3.31Å; Y56-V82 HydrophobicContact CD1-CB 3.64Å; Y56-V82 HydrophobicContact CD1-CG1 4.05Å; Y56-V82 HydrophobicContact CD1-CG2 4.38Å; Y56-V82 HydrophobicContact CE1-CB 3.73Å; Y56-V82 HydrophobicContact CE1-CG1 4.05Å; Y56-V82 HydrophobicContact CE1-CG2 4Å; Y56-F166 AromaticContact CD1-CE1 3.63Å; Y56-F166 HydrophobicContact CD1-CE1 3.63Å; Y56-F166 AromaticContact CD1-CZ 3.59Å; Y56-F166 HydrophobicContact CD1-CZ 3.59Å; Y56-F166 HydrophobicContact CE1-CE1 4.1Å; Y56-F166 AromaticContact CE1-CZ 3.82Å; Y56-F166 HydrophobicContact CE1-CZ 3.82Å; Y56-F166 HydrophobicContact CG-CE1 4.35Å; Y56-E170 PolarHBondContact OH-O 3.2Å; Y56-I171 HydrophobicContact CD1-CD1 4.5Å; Y56-I171 HydrophobicContact CD1-CG1 4.21Å; Y56-I171 HydrophobicContact CD2-CD1 4.19Å; Y56-I171 HydrophobicContact CD2-CG1 4.01Å; Y56-I171 HydrophobicContact CE1-CG1 4.11Å; Y56-I171 HydrophobicContact CE2-CB 4.37Å; Y56-I171 HydrophobicContact CE2-CG1 3.89Å; Y56-I171 HydrophobicContact CE2-CG2 4.22Å; Y56-I171 HydrophobicContact CG-CD1 4.15Å; Y56-I171 HydrophobicContact CG-CG1 4.16Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.37Å; Y56-V181 HydrophobicContact CD2-CG1 3.58Å; Y56-V181 HydrophobicContact CE2-CG1 3.72Å; Y56-L182 PolarHBondContact N-O 2.97Å; Y56-I183 HydrophobicContact CD2-CG1 4.46Å; Y56-I183 CarbonylContact O-C 3.58Å; Y56-I183 WeakPolarHBondContact O-CA 3.39Å; Y56-A184 PolarHBondContact O-N 2.88Å |
| 57 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170.1 | 172.1 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | A63 I64 L67 V81 V82 R83 T84 A184 | T57-A63 WeakPolarHBondContact OG1-CB 3.38Å; T57-I64 HydrophobicContact CG2-CG1 3.78Å; T57-L67 HydrophobicContact CG2-CD2 3.94Å; T57-V81 HydrophobicContact CG2-CG1 4.12Å; T57-V82 PolarHBondContact N-O 3.24Å; T57-R83 HydrophobicContact CG2-CG 3.67Å; T57-R83 WeakPolarHBondContact O-CA 3.34Å; T57-T84 PolarHBondContact O-N 2.87Å; T57-A184 VanDerWaalsContact CA-O 3.23Å; T57-A184 WeakPolarHBondContact CA-O 3.43Å; T57-A184 VanDerWaalsContact CB-O 3.27Å; T57-A184 WeakPolarHBondContact CB-O 3.07Å; T57-A184 PolarHBondContact OG1-O 3.08Å |
| 58 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -74.4 | -177.6 | 174.4 | 78.7 | 0 | 0 | 0 | 0 | 111.5 | L60 A63 T84 L87 N88 H186 | S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 PolarHBondContact OG-N 2.84Å; S58-L60 VanDerWaalsContact OG-N 3.08Å; S58-A63 WeakPolarHBondContact OG-CB 3.06Å; S58-T84 VanDerWaalsContact CA-O 3.3Å; S58-T84 WeakPolarHBondContact CA-O 3.41Å; S58-L87 VanDerWaalsContact CB-C 3.48Å; S58-L87 VanDerWaalsContact CB-O 3.3Å; S58-L87 WeakPolarHBondContact CB-O 3.31Å; S58-N88 WeakPolarHBondContact CB-OD1 3.21Å; S58-H186 WeakPolarHBondContact CB-NE2 3.16Å; S58-H186 PolarHBondContact OG-NE2 2.78Å | ||
| 59 | V | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93 | 13.7 | 169.7 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | R83 T84 W85 N88 R141 Y142 | V59-R83 HydrophobicContact CG1-CB 4.33Å; V59-T84 PolarHBondContact N-O 3.43Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; V59-N88 VanDerWaalsContact CG2-OD1 3.26Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.4Å; V59-N88 PolarHBondContact N-OD1 2.97Å; V59-N88 VanDerWaalsContact N-OD1 3.12Å; V59-R141 HydrophobicContact CG2-CG 4.25Å; V59-R141 PolarHBondContact O-NH1 3.5Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å |
| 60 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -101.9 | 129.5 | -179.9 | -57.6 | 177.4 | 0 | 0 | 0 | 110.6 | D27 S58 R62 A63 I64 N88 | D27-L60 WeakPolarHBondContact OD1-CA 3.41Å; S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 PolarHBondContact OG-N 2.84Å; S58-L60 VanDerWaalsContact OG-N 3.08Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.82Å; L60-R62 VanDerWaalsContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 2.99Å; L60-I64 PolarHBondContact O-N 3.38Å; L60-N88 HydrophobicContact CD1-CB 4.19Å |
| 61 | K | 98.8 | Very high | 98.9 | Very high | 75 Ų | 75 | 26.5 Ų | 26.5 | 33% | 0.326 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -57.3 | -35.4 | -166.7 | 73.8 | -177.1 | 67.4 | 169.9 | 0 | 113.5 | D27 E29 A63 I64 R65 | D27-K61 WeakPolarHBondContact O-CD 3.49Å; D27-K61 WeakPolarHBondContact O-CE 3.38Å; D27-K61 PolarHBondContact O-NZ 3.09Å; D27-K61 WeakPolarHBondContact OD1-CG 3.23Å; D27-K61 PolarHBondContact OD1-N 2.71Å; D27-K61 WeakPolarHBondContact OD2-CE 3.44Å; D27-K61 IonicContact OD2-NZ 2.91Å; E29-K61 HydrophobicContact CB-CD 4.32Å; E29-K61 VanDerWaalsContact OE2-CD 3.28Å; E29-K61 WeakPolarHBondContact OE2-CD 3.21Å; K61-A63 VanDerWaalsContact C-N 3.31Å; K61-A63 PolarHBondContact O-N 2.7Å; K61-I64 PolarHBondContact O-N 2.86Å; K61-R65 WeakPolarHBondContact O-CB 3.23Å; K61-R65 WeakPolarHBondContact O-CG 3.37Å; K61-R65 PolarHBondContact O-N 3.1Å |
| 62 | R | 98.8 | Very high | 98.9 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -36.4 | 178.6 | 60.3 | -170.3 | -177.8 | -91.5 | 2.4 | 114 | H11 C23 G24 F26 L30 L60 T66 H186 | H11-R62 WeakPolarHBondContact CE1-CD 3.39Å; H11-R62 PolarHBondContact NE2-NE 3.29Å; C23-R62 PolarHBondContact SG-NH1 3.23Å; G24-R62 PolarHBondContact O-NH2 3.1Å; F26-R62 PolarHBondContact O-NH1 3.35Å; L30-R62 HydrophobicContact CD2-CB 3.88Å; L30-R62 HydrophobicContact CG-CB 4.09Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 2.82Å; L60-R62 VanDerWaalsContact O-N 3.1Å; R62-T66 WeakPolarHBondContact O-CB 3.3Å; R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 VanDerWaalsContact O-N 3.16Å; R62-T66 PolarHBondContact O-OG1 3.21Å; R62-H186 PolarHBondContact NE-CE1 2.96Å; R62-H186 PolarHBondContact NE-ND1 2.89Å |
| 63 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.4 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | T57 S58 L60 K61 R65 T66 L67 | T57-A63 WeakPolarHBondContact OG1-CB 3.38Å; S58-A63 WeakPolarHBondContact OG-CB 3.06Å; L60-A63 PolarHBondContact O-N 2.99Å; K61-A63 VanDerWaalsContact C-N 3.31Å; K61-A63 PolarHBondContact O-N 2.7Å; A63-R65 PolarHBondContact O-N 3.08Å; A63-T66 PolarHBondContact O-N 3.04Å; A63-L67 PolarHBondContact O-N 3.26Å |
| 64 | I | 98.9 | Very high | 98.9 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 176 | -61.3 | 168.1 | 0 | 0 | 0 | 111 | T57 L60 K61 L67 W68 | T57-I64 HydrophobicContact CG2-CG1 3.78Å; L60-I64 PolarHBondContact O-N 3.38Å; K61-I64 PolarHBondContact O-N 2.86Å; I64-L67 WeakPolarHBondContact O-CB 3.27Å; I64-L67 PolarHBondContact O-N 3.09Å; I64-W68 HydrophobicContact CG2-CD2 3.98Å; I64-W68 HydrophobicContact CG2-CE3 4.45Å; I64-W68 HydrophobicContact CG2-CH2 4.24Å; I64-W68 HydrophobicContact CG2-CZ2 3.75Å; I64-W68 PolarHBondContact O-N 3.3Å |
| 65 | R | 98.9 | Very high | 98.9 | Very high | 113 Ų | 113 | 32.1 Ų | 32.1 | 43% | 0.426 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.9 | -34.5 | 178.4 | -72 | -162.5 | -163.8 | -89.2 | 9.4 | 112.9 | E29 L30 K61 A63 L67 W68 A69 | E29-R65 WeakPolarHBondContact OE1-CD 3.17Å; E29-R65 IonicContact OE1-NE 2.79Å; E29-R65 PolarHBondContact OE1-NE 3.38Å; E29-R65 IonicContact OE2-CZ 2.62Å; E29-R65 VanDerWaalsContact OE2-CZ 3.23Å; E29-R65 IonicContact OE2-NE 3.14Å; E29-R65 PolarHBondContact OE2-NE 2.84Å; E29-R65 IonicContact OE2-NH2 2.72Å; E29-R65 PolarHBondContact OE2-NH2 2.87Å; L30-R65 HydrophobicContact CD1-CB 3.82Å; K61-R65 WeakPolarHBondContact O-CB 3.23Å; K61-R65 WeakPolarHBondContact O-CG 3.37Å; K61-R65 PolarHBondContact O-N 3.1Å; A63-R65 PolarHBondContact O-N 3.08Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-W68 HydrophobicContact CG-CE3 4.42Å; R65-W68 PolarHBondContact O-N 3.26Å; R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.91Å |
| 66 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 170.8 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | V9 H11 G12 A38 R62 A63 W68 A69 I70 | V9-T66 HydrophobicContact CG1-CG2 4.06Å; H11-T66 WeakPolarHBondContact CA-OG1 3.37Å; H11-T66 VanDerWaalsContact CB-OG1 3.31Å; H11-T66 WeakPolarHBondContact CB-OG1 3.38Å; G12-T66 PolarHBondContact N-OG1 3.3Å; A38-T66 HydrophobicContact CB-CG2 3.99Å; R62-T66 WeakPolarHBondContact O-CB 3.3Å; R62-T66 PolarHBondContact O-N 3.09Å; R62-T66 VanDerWaalsContact O-N 3.16Å; R62-T66 PolarHBondContact O-OG1 3.21Å; A63-T66 PolarHBondContact O-N 3.04Å; T66-W68 PolarHBondContact O-N 2.88Å; T66-A69 PolarHBondContact O-N 3.19Å; T66-I70 HydrophobicContact CG2-CD1 3.99Å; T66-I70 WeakPolarHBondContact O-CG1 3.24Å; T66-I70 PolarHBondContact O-N 2.85Å; T66-I70 VanDerWaalsContact O-N 3.09Å |
| 67 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.6 | -179.4 | 57.5 | 0 | 0 | 0 | 111.6 | C55 T57 A63 I64 R65 A69 I70 L71 V81 L182 A184 | C55-L67 HydrophobicContact CB-CD1 3.84Å; C55-L67 HydrophobicContact CB-CD2 3.8Å; C55-L67 HydrophobicContact CB-CG 4.4Å; T57-L67 HydrophobicContact CG2-CD2 3.94Å; A63-L67 PolarHBondContact O-N 3.26Å; I64-L67 WeakPolarHBondContact O-CB 3.27Å; I64-L67 PolarHBondContact O-N 3.09Å; R65-L67 VanDerWaalsContact C-N 3.32Å; L67-A69 PolarHBondContact O-N 3.47Å; L67-I70 WeakPolarHBondContact O-CB 3.43Å; L67-I70 PolarHBondContact O-N 2.94Å; L67-I70 VanDerWaalsContact O-N 3.1Å; L67-L71 HydrophobicContact CD1-CD1 4.25Å; L67-L71 HydrophobicContact CD1-CD2 4.3Å; L67-L71 HydrophobicContact CD1-CG 4.03Å; L67-L71 HydrophobicContact CG-CD1 4.1Å; L67-L71 HydrophobicContact CG-CG 4.26Å; L67-L71 WeakPolarHBondContact O-CG 3.36Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-V81 HydrophobicContact CD2-CB 4.44Å; L67-V81 HydrophobicContact CD2-CG1 3.5Å; L67-V81 HydrophobicContact CD2-CG2 4.08Å; L67-L182 HydrophobicContact CD1-CD2 3.47Å; L67-L182 VanDerWaalsContact CD1-CD2 3.47Å; L67-L182 HydrophobicContact CD1-CG 4.04Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.31Å; L67-A184 HydrophobicContact CG-CB 4.47Å |
| 68 | W | 98.9 | Very high | 98.8 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 45% | 0.451 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 178.9 | -70.6 | -13.1 | 0 | 0 | 0 | 112.8 | I64 R65 T66 I70 L71 D72 | I64-W68 HydrophobicContact CG2-CD2 3.98Å; I64-W68 HydrophobicContact CG2-CE3 4.45Å; I64-W68 HydrophobicContact CG2-CH2 4.24Å; I64-W68 HydrophobicContact CG2-CZ2 3.75Å; I64-W68 PolarHBondContact O-N 3.3Å; R65-W68 HydrophobicContact CG-CE3 4.42Å; R65-W68 PolarHBondContact O-N 3.26Å; T66-W68 PolarHBondContact O-N 2.88Å; W68-I70 VanDerWaalsContact C-N 3.26Å; W68-I70 PolarHBondContact O-N 3.37Å; W68-L71 PolarHBondContact O-N 2.62Å; W68-D72 VanDerWaalsContact O-CB 3.27Å; W68-D72 WeakPolarHBondContact O-CB 3.39Å; W68-D72 PolarHBondContact O-N 3.06Å |
| 69 | A | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A38 A42 R65 T66 L67 G73 | A38-A69 HydrophobicContact CB-CB 3.84Å; A42-A69 WeakPolarHBondContact CB-O 3.43Å; R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.91Å; T66-A69 PolarHBondContact O-N 3.19Å; L67-A69 PolarHBondContact O-N 3.47Å; A69-G73 PolarHBondContact O-N 3Å |
| 70 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -48.1 | 174.5 | -67.5 | 164.8 | 0 | 0 | 0 | 111.2 | V9 A42 I45 T66 L67 W68 G73 T74 L182 | V9-I70 HydrophobicContact CB-CD1 4.25Å; V9-I70 HydrophobicContact CG1-CD1 4.19Å; V9-I70 HydrophobicContact CG2-CD1 3.88Å; A42-I70 HydrophobicContact CB-CB 4.45Å; A42-I70 HydrophobicContact CB-CG1 4.3Å; I45-I70 HydrophobicContact CD1-CD1 4.37Å; I45-I70 HydrophobicContact CD1-CG1 4.43Å; I45-I70 HydrophobicContact CD1-CG2 3.59Å; T66-I70 HydrophobicContact CG2-CD1 3.99Å; T66-I70 WeakPolarHBondContact O-CG1 3.24Å; T66-I70 PolarHBondContact O-N 2.85Å; T66-I70 VanDerWaalsContact O-N 3.09Å; L67-I70 WeakPolarHBondContact O-CB 3.43Å; L67-I70 PolarHBondContact O-N 2.94Å; L67-I70 VanDerWaalsContact O-N 3.1Å; W68-I70 VanDerWaalsContact C-N 3.26Å; W68-I70 PolarHBondContact O-N 3.37Å; I70-G73 PolarHBondContact O-N 2.9Å; I70-T74 HydrophobicContact CG2-CG2 4.48Å; I70-T74 WeakPolarHBondContact O-CB 3.34Å; I70-T74 VanDerWaalsContact O-CG2 3.27Å; I70-T74 WeakPolarHBondContact O-CG2 3.15Å; I70-T74 PolarHBondContact O-N 3.22Å; I70-T74 PolarHBondContact O-OG1 3.14Å; I70-L182 HydrophobicContact CG2-CD2 3.71Å |
| 71 | L | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | -179.2 | -64.7 | -176.8 | 0 | 0 | 0 | 112 | L67 W68 T74 D75 Q76 M77 L79 V81 L182 | L67-L71 HydrophobicContact CD1-CD1 4.25Å; L67-L71 HydrophobicContact CD1-CD2 4.3Å; L67-L71 HydrophobicContact CD1-CG 4.03Å; L67-L71 HydrophobicContact CG-CD1 4.1Å; L67-L71 HydrophobicContact CG-CG 4.26Å; L67-L71 WeakPolarHBondContact O-CG 3.36Å; L67-L71 PolarHBondContact O-N 3.08Å; W68-L71 PolarHBondContact O-N 2.62Å; L71-T74 PolarHBondContact O-N 2.72Å; L71-T74 PolarHBondContact O-OG1 2.92Å; L71-D75 PolarHBondContact O-N 3.23Å; L71-D75 VanDerWaalsContact O-N 3.1Å; L71-Q76 HydrophobicContact CD2-CB 4.12Å; L71-Q76 PolarHBondContact O-N 2.99Å; L71-M77 HydrophobicContact CB-CG 4.29Å; L71-L79 HydrophobicContact CD2-CD1 4.06Å; L71-V81 HydrophobicContact CD1-CG2 3.91Å; L71-L182 HydrophobicContact CD2-CD2 4.48Å |
| 72 | D | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 51 Ų | 51 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.7 | -53 | 174.3 | -177.2 | 22.7 | 0 | 0 | 0 | 110.9 | W68 T74 D75 M77 | W68-D72 VanDerWaalsContact O-CB 3.27Å; W68-D72 WeakPolarHBondContact O-CB 3.39Å; W68-D72 PolarHBondContact O-N 3.06Å; D72-T74 PolarHBondContact O-N 3.36Å; D72-D75 PolarHBondContact O-N 2.79Å; D72-D75 VanDerWaalsContact O-N 3.11Å; D72-M77 HydrophobicContact CB-CG 4.27Å; D72-M77 HydrophobicContact CB-SD 4.06Å |
| 73 | G | 98.6 | Very high | 98.8 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -17.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K46 A69 I70 | K46-G73 WeakPolarHBondContact CD-O 3.4Å; A69-G73 PolarHBondContact O-N 3Å; I70-G73 PolarHBondContact O-N 2.9Å |
| 74 | T | 98.7 | Very high | 98.8 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 4.1 | 179.3 | 61 | 0 | 0 | 0 | 0 | 113.8 | A42 I45 K46 I70 L71 D72 Q76 | A42-T74 WeakPolarHBondContact O-CG2 3.5Å; I45-T74 HydrophobicContact CB-CG2 4.03Å; I45-T74 HydrophobicContact CG2-CG2 3.6Å; K46-T74 HydrophobicContact CB-CG2 4.14Å; I70-T74 HydrophobicContact CG2-CG2 4.48Å; I70-T74 WeakPolarHBondContact O-CB 3.34Å; I70-T74 VanDerWaalsContact O-CG2 3.27Å; I70-T74 WeakPolarHBondContact O-CG2 3.15Å; I70-T74 PolarHBondContact O-N 3.22Å; I70-T74 PolarHBondContact O-OG1 3.14Å; L71-T74 PolarHBondContact O-N 2.72Å; L71-T74 PolarHBondContact O-OG1 2.92Å; D72-T74 PolarHBondContact O-N 3.36Å; T74-Q76 VanDerWaalsContact CB-NE2 3.34Å; T74-Q76 PolarHBondContact OG1-NE2 3.04Å |
| 75 | D | 98.8 | Very high | 98.8 | Very high | 136 Ų | 136 | 56.8 Ų | 56.8 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 43.5 | -177.5 | -163.5 | 26.4 | 0 | 0 | 0 | 114.2 | L71 D72 | L71-D75 PolarHBondContact O-N 3.23Å; L71-D75 VanDerWaalsContact O-N 3.1Å; D72-D75 PolarHBondContact O-N 2.79Å; D72-D75 VanDerWaalsContact O-N 3.11Å |
| 76 | Q | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | trans | -128.1 | 25.9 | -175.3 | -70.5 | 179.8 | 98.8 | 0 | 0 | 112.3 | M50 E51 L71 T74 W78 L79 | M50-Q76 PolarHBondContact O-NE2 3.01Å; E51-Q76 VanDerWaalsContact CA-OE1 3.28Å; L71-Q76 HydrophobicContact CD2-CB 4.12Å; L71-Q76 PolarHBondContact O-N 2.99Å; T74-Q76 VanDerWaalsContact CB-NE2 3.34Å; T74-Q76 PolarHBondContact OG1-NE2 3.04Å; Q76-W78 PolarHBondContact O-N 3.24Å; Q76-W78 VanDerWaalsContact O-N 3.12Å; Q76-L79 HydrophobicContact CB-CD1 3.73Å; Q76-L79 HydrophobicContact CB-CG 4.04Å; Q76-L79 HydrophobicContact CG-CD1 4.31Å; Q76-L79 WeakPolarHBondContact O-CB 3.48Å; Q76-L79 WeakPolarHBondContact O-CG 3.22Å; Q76-L79 PolarHBondContact O-N 3.32Å; Q76-L79 VanDerWaalsContact O-N 3.12Å | ||
| 77 | M | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 54 Ų | 54 | 62% | 0.616 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.3 | -178.2 | -68.4 | -170.3 | 73.6 | 0 | 0 | 114.4 | L71 D72 L79 | L71-M77 HydrophobicContact CB-CG 4.29Å; D72-M77 HydrophobicContact CB-CG 4.27Å; D72-M77 HydrophobicContact CB-SD 4.06Å; M77-L79 PolarHBondContact O-N 3.48Å |
| 78 | W | 98.8 | Very high | 98.8 | Very high | 195 Ų | 195 | 54 Ų | 54 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.9 | 178.9 | 60.4 | -92.4 | 0 | 0 | 0 | 113.5 | Q76 | Q76-W78 PolarHBondContact O-N 3.24Å; Q76-W78 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -64.3 | 145 | -177.8 | -71.1 | -178.6 | 0 | 0 | 0 | 112.5 | F52 L71 Q76 M77 V81 | F52-L79 HydrophobicContact CB-CD1 3.63Å; F52-L79 WeakPolarHBondContact O-CD1 3.31Å; F52-L79 WeakPolarHBondContact O-CD2 3.32Å; L71-L79 HydrophobicContact CD2-CD1 4.06Å; Q76-L79 HydrophobicContact CB-CD1 3.73Å; Q76-L79 HydrophobicContact CB-CG 4.04Å; Q76-L79 HydrophobicContact CG-CD1 4.31Å; Q76-L79 WeakPolarHBondContact O-CB 3.48Å; Q76-L79 WeakPolarHBondContact O-CG 3.22Å; Q76-L79 PolarHBondContact O-N 3.32Å; Q76-L79 VanDerWaalsContact O-N 3.12Å; M77-L79 PolarHBondContact O-N 3.48Å; L79-V81 PolarHBondContact O-N 2.74Å |
| 80 | P | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | trans | -65.3 | 132.3 | 175.1 | 26.5 | -32.4 | 0 | 0 | 0 | 110.9 | D53 I54 C55 | D53-P80 WeakPolarHBondContact O-CD 3.48Å; D53-P80 WeakPolarHBondContact O-CG 3.38Å; I54-P80 HydrophobicContact CB-CG 4.32Å; I54-P80 HydrophobicContact CG1-CG 4.24Å; C55-P80 PolarHBondContact N-O 2.78Å | ||
| 81 | V | 98.9 | Very high | 98.6 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.7 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | C55 T57 L67 L71 L79 R83 | C55-V81 HydrophobicContact CB-CG2 4.21Å; C55-V81 WeakPolarHBondContact O-CA 3.44Å; T57-V81 HydrophobicContact CG2-CG1 4.12Å; L67-V81 HydrophobicContact CD2-CB 4.44Å; L67-V81 HydrophobicContact CD2-CG1 3.5Å; L67-V81 HydrophobicContact CD2-CG2 4.08Å; L71-V81 HydrophobicContact CD1-CG2 3.91Å; L79-V81 PolarHBondContact O-N 2.74Å; V81-R83 HydrophobicContact CG1-CG 4.38Å; V81-R83 PolarHBondContact O-NH1 2.75Å |
| 82 | V | 98.9 | Very high | 98.6 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.8 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I54 C55 Y56 T57 F166 | I54-V82 HydrophobicContact CD1-CG2 4.26Å; C55-V82 PolarHBondContact O-N 3.47Å; Y56-V82 WeakPolarHBondContact CA-O 3.31Å; Y56-V82 HydrophobicContact CD1-CB 3.64Å; Y56-V82 HydrophobicContact CD1-CG1 4.05Å; Y56-V82 HydrophobicContact CD1-CG2 4.38Å; Y56-V82 HydrophobicContact CE1-CB 3.73Å; Y56-V82 HydrophobicContact CE1-CG1 4.05Å; Y56-V82 HydrophobicContact CE1-CG2 4Å; T57-V82 PolarHBondContact N-O 3.24Å; V82-F166 HydrophobicContact CG1-CE2 4.47Å; V82-F166 HydrophobicContact CG1-CZ 4.03Å |
| 83 | R | 98.9 | Very high | 98.5 | Very high | 104 Ų | 104 | 44 Ų | 44 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.3 | -179.6 | -68.3 | 168.5 | -177.2 | 78.4 | -1.1 | 109.7 | T57 V59 V81 | T57-R83 HydrophobicContact CG2-CG 3.67Å; T57-R83 WeakPolarHBondContact O-CA 3.34Å; V59-R83 HydrophobicContact CG1-CB 4.33Å; V81-R83 HydrophobicContact CG1-CG 4.38Å; V81-R83 PolarHBondContact O-NH1 2.75Å |
| 84 | T | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | trans | -147.9 | 142.4 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | T57 S58 V59 R86 L87 F166 | T57-T84 PolarHBondContact O-N 2.87Å; S58-T84 VanDerWaalsContact CA-O 3.3Å; S58-T84 WeakPolarHBondContact CA-O 3.41Å; V59-T84 PolarHBondContact N-O 3.43Å; T84-R86 HydrophobicContact CG2-CB 4.24Å; T84-R86 PolarHBondContact O-N 2.93Å; T84-R86 PolarHBondContact OG1-N 3.38Å; T84-L87 HydrophobicContact CG2-CB 3.95Å; T84-L87 HydrophobicContact CG2-CD1 3.86Å; T84-L87 HydrophobicContact CG2-CG 3.63Å; T84-L87 PolarHBondContact O-N 3.38Å; T84-F166 HydrophobicContact CG2-CD1 3.69Å; T84-F166 HydrophobicContact CG2-CD2 3.9Å; T84-F166 HydrophobicContact CG2-CE1 3.43Å; T84-F166 VanDerWaalsContact CG2-CE1 3.43Å; T84-F166 HydrophobicContact CG2-CE2 3.64Å; T84-F166 HydrophobicContact CG2-CG 3.92Å; T84-F166 HydrophobicContact CG2-CZ 3.4Å; T84-F166 VanDerWaalsContact CG2-CZ 3.4Å | ||
| 85 | W | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -64.6 | -23.9 | 172.2 | 76.4 | -91.9 | 0 | 0 | 0 | 111.8 | W25 V59 L87 N88 Y142 L145 E149 R162 | W25-W85 HydrophobicContact CH2-CD2 4.45Å; W25-W85 AromaticContact CH2-CE3 3.58Å; W25-W85 HydrophobicContact CH2-CE3 3.58Å; W25-W85 HydrophobicContact CH2-CZ3 4.08Å; W25-W85 AromaticContact CZ2-CE3 3.85Å; W25-W85 HydrophobicContact CZ2-CE3 3.85Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; W85-L87 PolarHBondContact O-N 3.49Å; W85-L87 VanDerWaalsContact O-N 3.09Å; W85-N88 WeakPolarHBondContact O-CB 3.49Å; W85-N88 VanDerWaalsContact O-CG 3.3Å; W85-N88 PolarHBondContact O-N 3.1Å; W85-Y142 HydrophobicContact CB-CD1 4.3Å; W85-Y142 HydrophobicContact CB-CE1 4.1Å; W85-L145 HydrophobicContact CD2-CD2 3.89Å; W85-L145 HydrophobicContact CD2-CG 4.45Å; W85-L145 HydrophobicContact CE3-CD2 4.42Å; W85-L145 HydrophobicContact CG-CD1 4.09Å; W85-L145 HydrophobicContact CG-CD2 4.12Å; W85-L145 HydrophobicContact CG-CG 4.43Å; W85-L145 HydrophobicContact CZ2-CD2 4.14Å; W85-L145 HydrophobicContact CZ2-CG 4.45Å; W85-E149 HydrophobicContact CH2-CB 4.47Å; W85-E149 VanDerWaalsContact CH2-O 3.24Å; W85-E149 WeakPolarHBondContact CH2-O 3.4Å; W85-E149 HydrophobicContact CZ2-CB 4.1Å; W85-R162 HydrophobicContact CH2-CB 3.8Å; W85-R162 HydrophobicContact CH2-CG 4.15Å; W85-R162 HydrophobicContact CZ3-CB 4.04Å; W85-R162 HydrophobicContact CZ3-CG 3.86Å |
| 86 | R | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -64.9 | -13.1 | 177.7 | -65.6 | -177.7 | 178.2 | -78.4 | -3.4 | 113.1 | T84 E149 R162 A163 F166 | T84-R86 HydrophobicContact CG2-CB 4.24Å; T84-R86 PolarHBondContact O-N 2.93Å; T84-R86 PolarHBondContact OG1-N 3.38Å; R86-E149 IonicContact NH2-OE1 2.95Å; R86-E149 PolarHBondContact NH2-OE1 2.85Å; R86-E149 VanDerWaalsContact NH2-OE1 3.09Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.13Å; R86-R162 WeakPolarHBondContact CD-O 3.46Å; R86-R162 WeakPolarHBondContact CG-O 3.44Å; R86-R162 PolarHBondContact NH1-O 2.87Å; R86-R162 PolarHBondContact O-NH1 2.89Å; R86-A163 WeakPolarHBondContact O-CA 3.22Å; R86-A163 WeakPolarHBondContact O-CB 3.47Å; R86-F166 HydrophobicContact CB-CB 3.84Å; R86-F166 HydrophobicContact CB-CG 4.29Å; R86-F166 HydrophobicContact CG-CB 4.42Å |
| 87 | L | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -102.3 | 4.1 | 171 | -70.5 | 179.1 | 0 | 0 | 0 | 113.5 | S58 T84 W85 F166 I183 H186 S189 I193 | S58-L87 VanDerWaalsContact CB-C 3.48Å; S58-L87 VanDerWaalsContact CB-O 3.3Å; S58-L87 WeakPolarHBondContact CB-O 3.31Å; T84-L87 HydrophobicContact CG2-CB 3.95Å; T84-L87 HydrophobicContact CG2-CD1 3.86Å; T84-L87 HydrophobicContact CG2-CG 3.63Å; T84-L87 PolarHBondContact O-N 3.38Å; W85-L87 PolarHBondContact O-N 3.49Å; W85-L87 VanDerWaalsContact O-N 3.09Å; L87-F166 HydrophobicContact CD1-CD1 4.3Å; L87-F166 HydrophobicContact CD1-CE1 3.91Å; L87-F166 HydrophobicContact CD2-CD1 4.49Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.23Å; L87-I183 HydrophobicContact CD1-CG2 4.13Å; L87-H186 PolarHBondContact O-CD2 3.19Å; L87-H186 VanDerWaalsContact O-CD2 3.28Å; L87-S189 PolarHBondContact O-OG 3.26Å; L87-I193 HydrophobicContact CD2-CD1 4.15Å |
| 88 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -58.5 | 159.1 | 174.5 | -76.7 | 1.4 | 0 | 0 | 0 | 111.8 | W25 S58 V59 L60 W85 Y142 R162 S189 | W25-N88 HydrophobicContact CZ2-CB 4.23Å; S58-N88 WeakPolarHBondContact CB-OD1 3.21Å; V59-N88 VanDerWaalsContact CG2-OD1 3.26Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.4Å; V59-N88 PolarHBondContact N-OD1 2.97Å; V59-N88 VanDerWaalsContact N-OD1 3.12Å; L60-N88 HydrophobicContact CD1-CB 4.19Å; W85-N88 WeakPolarHBondContact O-CB 3.49Å; W85-N88 VanDerWaalsContact O-CG 3.3Å; W85-N88 PolarHBondContact O-N 3.1Å; N88-Y142 PolarHBondContact ND2-OH 3.16Å; N88-R162 VanDerWaalsContact O-CZ 3.28Å; N88-R162 PolarHBondContact O-NH1 3.21Å; N88-R162 PolarHBondContact O-NH2 3.07Å; N88-S189 WeakPolarHBondContact O-CB 3.41Å |
| 89 | E | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 162.5 | 167.9 | -172.3 | 54.2 | -74.4 | 0 | 0 | 111 | W25 H91 Y92 R162 H186 G187 N188 | W25-E89 PolarHBondContact NE1-O 2.95Å; E89-H91 PolarHBondContact O-N 3.04Å; E89-Y92 HydrophobicContact CG-CE2 4.46Å; E89-R162 PolarHBondContact O-NH2 2.95Å; E89-R162 VanDerWaalsContact O-NH2 3.09Å; E89-H186 HydrophobicContact CB-CB 3.69Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 3.36Å; E89-H186 WeakPolarHBondContact OE2-CB 3.31Å; E89-G187 PolarHBondContact OE2-N 3.04Å; E89-N188 WeakPolarHBondContact OE1-CB 3.42Å; E89-N188 PolarHBondContact OE1-N 3.17Å; E89-N188 PolarHBondContact OE1-ND2 3.24Å |
| 90 | R | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 130.4 | 169 | 178.7 | 177.9 | 178.7 | 178.8 | 0.8 | 110.9 | G24 Y92 W115 I121 E154 N188 | G24-R90 VanDerWaalsContact CA-O 3.28Å; G24-R90 WeakPolarHBondContact CA-O 3.4Å; R90-Y92 HydrophobicContact CG-CE1 4.47Å; R90-Y92 PolarHBondContact O-N 3.12Å; R90-W115 VanDerWaalsContact CZ-O 3.25Å; R90-W115 PolarHBondContact NH1-O 3.45Å; R90-W115 PolarHBondContact NH2-O 3.21Å; R90-I121 PolarHBondContact NH2-O 3.21Å; R90-E154 HydrophobicContact CG-CB 4.09Å; R90-E154 WeakPolarHBondContact CG-O 3.41Å; R90-E154 PolarHBondContact NE-O 2.6Å; R90-E154 PolarHBondContact NH2-O 2.89Å; R90-N188 HydrophobicContact CB-CB 3.86Å |
| 91 | H | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -73.2 | 108 | 174 | -159.2 | -49.5 | 0 | 0 | 0 | 110.7 | W25 E89 G93 P151 C153 E154 | W25-H91 AromaticContact CD1-CD2 3.91Å; W25-H91 AromaticContact CD1-CG 3.93Å; W25-H91 HydrophobicContact CD2-CB 4.38Å; W25-H91 AromaticContact CD2-CD2 3.38Å; W25-H91 AromaticContact CE2-CD2 3.78Å; W25-H91 AromaticContact CE3-CD2 3.76Å; W25-H91 HydrophobicContact CG-CB 4.18Å; W25-H91 AromaticContact CG-CD2 3.48Å; W25-H91 VanDerWaalsContact CG-CD2 3.48Å; W25-H91 AromaticContact CG-CG 3.9Å; E89-H91 PolarHBondContact O-N 3.04Å; H91-G93 PolarHBondContact ND1-N 3.03Å; H91-G93 VanDerWaalsContact ND1-N 3.14Å; H91-G93 PolarHBondContact O-N 2.74Å; H91-P151 HydrophobicContact CB-CG 4.27Å; H91-P151 PolarHBondContact CD2-O 3.23Å; H91-P151 VanDerWaalsContact CD2-O 3.23Å; H91-P151 PolarHBondContact NE2-O 3.33Å; H91-C153 CarbonylContact O-C 3.53Å; H91-C153 WeakPolarHBondContact O-CA 3.32Å; H91-E154 HydrophobicContact CB-CB 4.22Å; H91-E154 HydrophobicContact CB-CG 3.85Å; H91-E154 PolarHBondContact N-OE2 3.03Å; H91-E154 PolarHBondContact O-N 3Å | ||
| 92 | Y | 97.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | trans | -76.2 | 12.4 | -178.3 | -73.8 | -63.1 | 0 | 0 | 0 | 115.1 | F22 E89 R90 G94 L95 N188 | F22-Y92 HydrophobicContact CB-CD2 4.24Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.74Å; F22-Y92 HydrophobicContact CD1-CD1 3.74Å; F22-Y92 HydrophobicContact CD1-CD2 4.09Å; F22-Y92 AromaticContact CD1-CE1 3.97Å; F22-Y92 HydrophobicContact CD1-CE1 3.97Å; F22-Y92 HydrophobicContact CD1-CE2 4.3Å; F22-Y92 AromaticContact CD1-CG 3.82Å; F22-Y92 HydrophobicContact CD1-CG 3.82Å; F22-Y92 HydrophobicContact CE1-CD1 4.18Å; F22-Y92 HydrophobicContact CE1-CE1 4.21Å; F22-Y92 HydrophobicContact CG-CG 4.47Å; E89-Y92 HydrophobicContact CG-CE2 4.46Å; R90-Y92 HydrophobicContact CG-CE1 4.47Å; R90-Y92 PolarHBondContact O-N 3.12Å; Y92-G94 PolarHBondContact O-N 2.71Å; Y92-L95 VanDerWaalsContact O-CB 3.31Å; Y92-L95 WeakPolarHBondContact O-CB 3.45Å; Y92-L95 PolarHBondContact O-N 2.93Å; Y92-N188 PolarHBondContact OH-ND2 2.79Å | ||
| 93 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | 40 | -127.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | H91 L95 T96 P124 M126 T152 | H91-G93 PolarHBondContact ND1-N 3.03Å; H91-G93 VanDerWaalsContact ND1-N 3.14Å; H91-G93 PolarHBondContact O-N 2.74Å; G93-L95 PolarHBondContact O-N 3.09Å; G93-L95 VanDerWaalsContact O-N 3.16Å; G93-T96 WeakPolarHBondContact O-CB 3.26Å; G93-T96 PolarHBondContact O-N 3.27Å; G93-T96 VanDerWaalsContact O-N 3.11Å; G93-T96 PolarHBondContact O-OG1 3.08Å; G93-P124 CarbonylContact C-O 3.57Å; G93-P124 WeakPolarHBondContact CA-O 3.27Å; G93-M126 WeakPolarHBondContact O-CE 3.24Å; G93-T152 WeakPolarHBondContact CA-O 3.31Å |
| 94 | G | 96.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -67.9 | -5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y92 P124 | Y92-G94 PolarHBondContact O-N 2.71Å; G94-P124 PolarHBondContact N-O 3.27Å |
| 95 | L | 95.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -83 | -14.6 | 171.1 | -54.2 | 179.8 | 0 | 0 | 0 | 112.4 | F22 Y92 G93 G97 L98 T103 W115 P123 | F22-L95 HydrophobicContact CB-CB 4.4Å; F22-L95 VanDerWaalsContact CB-O 3.31Å; F22-L95 WeakPolarHBondContact CB-O 3.4Å; F22-L95 HydrophobicContact CD2-CB 4.04Å; F22-L95 HydrophobicContact CE1-CD1 4.37Å; F22-L95 HydrophobicContact CE2-CB 4.4Å; F22-L95 HydrophobicContact CE2-CD1 4.45Å; F22-L95 HydrophobicContact CG-CB 4.12Å; F22-L95 HydrophobicContact CZ-CD1 4.22Å; Y92-L95 VanDerWaalsContact O-CB 3.31Å; Y92-L95 WeakPolarHBondContact O-CB 3.45Å; Y92-L95 PolarHBondContact O-N 2.93Å; G93-L95 PolarHBondContact O-N 3.09Å; G93-L95 VanDerWaalsContact O-N 3.16Å; L95-G97 PolarHBondContact O-N 3.16Å; L95-L98 HydrophobicContact CD2-CD1 4.17Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 WeakPolarHBondContact O-CG 3.35Å; L95-L98 PolarHBondContact O-N 3.31Å; L95-T103 HydrophobicContact CD2-CG2 4.29Å; L95-W115 HydrophobicContact CD1-CB 3.91Å; L95-W115 HydrophobicContact CD1-CD2 4.01Å; L95-W115 HydrophobicContact CD1-CE3 3.79Å; L95-W115 HydrophobicContact CD1-CG 4.11Å; L95-W115 HydrophobicContact CD2-CE3 4.07Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 3.98Å |
| 96 | T | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 123.6 | -176.6 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | W16 F22 F26 G93 M126 H130 I136 | W16-T96 HydrophobicContact CH2-CG2 4.48Å; W16-T96 HydrophobicContact CZ3-CG2 4.07Å; F22-T96 WeakPolarHBondContact O-CA 3.43Å; F26-T96 HydrophobicContact CB-CG2 4.11Å; G93-T96 WeakPolarHBondContact O-CB 3.26Å; G93-T96 PolarHBondContact O-N 3.27Å; G93-T96 VanDerWaalsContact O-N 3.11Å; G93-T96 PolarHBondContact O-OG1 3.08Å; T96-M126 HydrophobicContact CG2-CE 3.97Å; T96-H130 PolarHBondContact O-CE1 3.34Å; T96-H130 PolarHBondContact O-NE2 3.38Å; T96-I136 HydrophobicContact CG2-CD1 3.94Å |
| 97 | G | 96.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -14.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R21 F22 L95 | R21-G97 WeakPolarHBondContact CD-O 3.4Å; R21-G97 PolarHBondContact NH1-O 3.48Å; F22-G97 PolarHBondContact O-N 2.93Å; L95-G97 PolarHBondContact O-N 3.16Å |
| 98 | L | 94.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | trans | -72.3 | 143.3 | 174.8 | -56.3 | -176.1 | 0 | 0 | 0 | 110.9 | R21 F22 L95 T103 | R21-L98 CarbonylContact C-O 3.6Å; R21-L98 VanDerWaalsContact CA-O 3.26Å; R21-L98 WeakPolarHBondContact CA-O 3.3Å; F22-L98 HydrophobicContact CD2-CB 4.45Å; F22-L98 WeakPolarHBondContact CD2-O 3.41Å; F22-L98 PolarHBondContact N-O 3.47Å; L95-L98 HydrophobicContact CD2-CD1 4.17Å; L95-L98 WeakPolarHBondContact O-CB 3.36Å; L95-L98 WeakPolarHBondContact O-CG 3.35Å; L95-L98 PolarHBondContact O-N 3.31Å; L98-T103 WeakPolarHBondContact CB-OG1 3.44Å | ||
| 99 | N | 93.3 | Very high | 92 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 135.8 | 169.9 | -177.8 | -71.9 | 0 | 0 | 0 | 109.7 | E19 A101 E102 T103 | E19-N99 PolarHBondContact O-ND2 2.81Å; N99-A101 PolarHBondContact O-N 3.23Å; N99-A101 WeakPolarHBondContact OD1-CA 3.49Å; N99-A101 WeakPolarHBondContact OD1-CB 3.48Å; N99-A101 PolarHBondContact OD1-N 3.09Å; N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 3.92Å; N99-E102 WeakPolarHBondContact CB-OE2 3.27Å; N99-E102 PolarHBondContact OD1-N 2.82Å; N99-T103 WeakPolarHBondContact O-CB 3.44Å; N99-T103 PolarHBondContact O-N 2.82Å; N99-T103 PolarHBondContact O-OG1 3.08Å |
| 100 | K | 88.3 | Confident | 91.5 | Very high | 40 Ų | 40 | 50 Ų | 50 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | -175.3 | -66.4 | 174.6 | -168.8 | 161.4 | 0 | 113 | N20 F22 A104 | N20-K100 WeakPolarHBondContact O-CG 3.31Å; N20-K100 PolarHBondContact O-N 3.25Å; N20-K100 WeakPolarHBondContact OD1-CD 3.4Å; F22-K100 HydrophobicContact CD1-CG 4.37Å; F22-K100 HydrophobicContact CD2-CG 3.78Å; F22-K100 HydrophobicContact CE1-CG 4.16Å; F22-K100 HydrophobicContact CE2-CB 4.19Å; F22-K100 HydrophobicContact CE2-CG 3.54Å; F22-K100 HydrophobicContact CG-CG 4.2Å; F22-K100 HydrophobicContact CZ-CB 4.48Å; F22-K100 HydrophobicContact CZ-CG 3.75Å; K100-A104 WeakPolarHBondContact O-CB 3.38Å; K100-A104 PolarHBondContact O-N 3.16Å |
| 101 | A | 87.2 | Confident | 91 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 49% | 0.488 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.8 | -44.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N99 T103 A104 A105 | N99-A101 PolarHBondContact O-N 3.23Å; N99-A101 WeakPolarHBondContact OD1-CA 3.49Å; N99-A101 WeakPolarHBondContact OD1-CB 3.48Å; N99-A101 PolarHBondContact OD1-N 3.09Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.38Å; A101-A104 WeakPolarHBondContact O-CB 3.29Å; A101-A104 PolarHBondContact O-N 3.36Å; A101-A104 VanDerWaalsContact O-N 3.15Å; A101-A105 PolarHBondContact O-N 3.44Å |
| 102 | E | 88.8 | Confident | 90.3 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 174.6 | -63.2 | 171.9 | 174.4 | 0 | 0 | 111.7 | N99 A104 A105 K106 | N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 3.92Å; N99-E102 WeakPolarHBondContact CB-OE2 3.27Å; N99-E102 PolarHBondContact OD1-N 2.82Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 2.93Å; E102-A105 PolarHBondContact O-N 2.88Å; E102-K106 WeakPolarHBondContact O-CB 3.3Å; E102-K106 PolarHBondContact O-N 2.78Å |
| 103 | T | 89.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | F22 L95 L98 N99 A101 K106 H107 V112 W115 | F22-T103 HydrophobicContact CE2-CG2 4.38Å; L95-T103 HydrophobicContact CD2-CG2 4.29Å; L98-T103 WeakPolarHBondContact CB-OG1 3.44Å; N99-T103 WeakPolarHBondContact O-CB 3.44Å; N99-T103 PolarHBondContact O-N 2.82Å; N99-T103 PolarHBondContact O-OG1 3.08Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.38Å; T103-K106 PolarHBondContact O-N 3.15Å; T103-H107 WeakPolarHBondContact O-CB 3.35Å; T103-H107 PolarHBondContact O-CD2 3.38Å; T103-H107 PolarHBondContact O-N 3.28Å; T103-V112 HydrophobicContact CG2-CG2 3.73Å; T103-W115 HydrophobicContact CG2-CZ3 4.22Å |
| 104 | A | 88.4 | Confident | 89.1 | Confident | 18 Ų | 18 | 60 Ų | 60 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K100 A101 E102 K106 G108 E109 V112 | K100-A104 WeakPolarHBondContact O-CB 3.38Å; K100-A104 PolarHBondContact O-N 3.16Å; A101-A104 WeakPolarHBondContact O-CB 3.29Å; A101-A104 PolarHBondContact O-N 3.36Å; A101-A104 VanDerWaalsContact O-N 3.15Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 2.93Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 PolarHBondContact O-N 3.38Å; A104-G108 CarbonylContact O-C 3.35Å; A104-G108 WeakPolarHBondContact O-CA 3.41Å; A104-G108 PolarHBondContact O-N 3.04Å; A104-E109 HydrophobicContact CB-CG 4.26Å; A104-V112 HydrophobicContact CB-CB 4.32Å; A104-V112 HydrophobicContact CB-CG2 4.11Å |
| 105 | A | 85.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 77% | 0.769 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A101 E102 | A101-A105 PolarHBondContact O-N 3.44Å; E102-A105 PolarHBondContact O-N 2.88Å |
| 106 | K | 85.4 | Confident | 87.7 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -82.4 | -38.6 | -179 | -174.4 | 175.5 | 178.8 | 179.9 | 0 | 114.2 | E102 T103 A104 | E102-K106 WeakPolarHBondContact O-CB 3.3Å; E102-K106 PolarHBondContact O-N 2.78Å; T103-K106 PolarHBondContact O-N 3.15Å; A104-K106 VanDerWaalsContact C-N 3.27Å; A104-K106 PolarHBondContact O-N 3.38Å |
| 107 | H | 85.8 | Confident | 86.8 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 40% | 0.403 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -112.1 | -4 | -170.2 | -64.9 | -75.7 | 0 | 0 | 0 | 113.9 | T103 Q111 W115 | T103-H107 WeakPolarHBondContact O-CB 3.35Å; T103-H107 PolarHBondContact O-CD2 3.38Å; T103-H107 PolarHBondContact O-N 3.28Å; H107-Q111 VanDerWaalsContact O-CB 3.3Å; H107-Q111 WeakPolarHBondContact O-CB 3.46Å; H107-W115 HydrophobicContact CB-CH2 4.09Å; H107-W115 HydrophobicContact CB-CZ3 3.94Å; H107-W115 AromaticContact CG-CH2 3.96Å; H107-W115 AromaticContact CG-CZ3 3.99Å |
| 108 | G | 87.3 | Confident | 86.3 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | trans | 86.5 | 144.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A104 E110 Q111 V112 | A104-G108 CarbonylContact O-C 3.35Å; A104-G108 WeakPolarHBondContact O-CA 3.41Å; A104-G108 PolarHBondContact O-N 3.04Å; G108-E110 PolarHBondContact O-N 3.08Å; G108-Q111 PolarHBondContact O-N 3.36Å; G108-V112 PolarHBondContact O-N 3.32Å | ||
| 109 | E | 84.2 | Confident | 86.1 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | -178.9 | -68 | -169.8 | 171.6 | 0 | 0 | 112.8 | A104 Q111 V112 K113 | A104-E109 HydrophobicContact CB-CG 4.26Å; E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 2.82Å; E109-V112 PolarHBondContact O-N 2.81Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 2.84Å |
| 110 | E | 86.8 | Confident | 86.1 | Confident | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 179.2 | -70.1 | -55.6 | 130 | 0 | 0 | 111.6 | G108 K113 I114 | G108-E110 PolarHBondContact O-N 3.08Å; E110-K113 WeakPolarHBondContact O-CB 3.22Å; E110-K113 PolarHBondContact O-N 3.05Å; E110-I114 VanDerWaalsContact O-CG1 3.29Å; E110-I114 WeakPolarHBondContact O-CG1 3.3Å; E110-I114 PolarHBondContact O-N 3.14Å |
| 111 | Q | 87 | Confident | 86.3 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 177.5 | -172.6 | 59.3 | 48.6 | 0 | 0 | 111.9 | H107 G108 E109 K113 I114 W115 | H107-Q111 VanDerWaalsContact O-CB 3.3Å; H107-Q111 WeakPolarHBondContact O-CB 3.46Å; G108-Q111 PolarHBondContact O-N 3.36Å; E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 2.82Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; Q111-I114 WeakPolarHBondContact O-CB 3.27Å; Q111-I114 PolarHBondContact O-N 3.12Å; Q111-W115 HydrophobicContact CG-CD2 4.17Å; Q111-W115 HydrophobicContact CG-CE3 4.19Å; Q111-W115 HydrophobicContact CG-CH2 3.65Å; Q111-W115 HydrophobicContact CG-CZ2 3.62Å; Q111-W115 HydrophobicContact CG-CZ3 3.94Å; Q111-W115 PolarHBondContact O-N 3.12Å |
| 112 | V | 83.3 | Confident | 86.6 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | F22 T103 A104 G108 E109 W115 R116 | F22-V112 HydrophobicContact CZ-CG1 4.21Å; T103-V112 HydrophobicContact CG2-CG2 3.73Å; A104-V112 HydrophobicContact CB-CB 4.32Å; A104-V112 HydrophobicContact CB-CG2 4.11Å; G108-V112 PolarHBondContact O-N 3.32Å; E109-V112 PolarHBondContact O-N 2.81Å; V112-W115 HydrophobicContact CG2-CE3 4.24Å; V112-W115 HydrophobicContact CG2-CZ3 4.35Å; V112-W115 PolarHBondContact O-N 2.75Å; V112-R116 HydrophobicContact CG1-CG 4.25Å; V112-R116 VanDerWaalsContact O-CB 3.26Å; V112-R116 WeakPolarHBondContact O-CB 3.5Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 2.77Å |
| 113 | K | 82.6 | Confident | 86.9 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.1 | -173.3 | -179.8 | 178.3 | -174.9 | 0 | 110.7 | E109 E110 Q111 R116 R117 | E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 2.84Å; E110-K113 WeakPolarHBondContact O-CB 3.22Å; E110-K113 PolarHBondContact O-N 3.05Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; K113-R116 PolarHBondContact O-N 2.87Å; K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 2.65Å |
| 114 | I | 85.4 | Confident | 87.2 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -54.9 | 172.3 | -71.2 | 165.6 | 0 | 0 | 0 | 110.1 | E110 Q111 R116 R117 S118 I121 | E110-I114 VanDerWaalsContact O-CG1 3.29Å; E110-I114 WeakPolarHBondContact O-CG1 3.3Å; E110-I114 PolarHBondContact O-N 3.14Å; Q111-I114 WeakPolarHBondContact O-CB 3.27Å; Q111-I114 PolarHBondContact O-N 3.12Å; I114-R116 PolarHBondContact O-N 2.81Å; I114-R117 PolarHBondContact O-N 3.23Å; I114-S118 WeakPolarHBondContact O-CA 3.38Å; I114-S118 WeakPolarHBondContact O-CB 3.43Å; I114-S118 PolarHBondContact O-N 3.37Å; I114-I121 HydrophobicContact CG2-CB 4.01Å; I114-I121 HydrophobicContact CG2-CD1 3.67Å; I114-I121 HydrophobicContact CG2-CG1 4.43Å; I114-I121 HydrophobicContact CG2-CG2 3.88Å |
| 115 | W | 85.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 11% | 0.106 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -31 | 179.9 | -67.3 | -34.2 | 0 | 0 | 0 | 113.8 | R90 L95 T103 H107 Q111 V112 P123 P124 | R90-W115 VanDerWaalsContact CZ-O 3.25Å; R90-W115 PolarHBondContact NH1-O 3.45Å; R90-W115 PolarHBondContact NH2-O 3.21Å; L95-W115 HydrophobicContact CD1-CB 3.91Å; L95-W115 HydrophobicContact CD1-CD2 4.01Å; L95-W115 HydrophobicContact CD1-CE3 3.79Å; L95-W115 HydrophobicContact CD1-CG 4.11Å; L95-W115 HydrophobicContact CD2-CE3 4.07Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; T103-W115 HydrophobicContact CG2-CZ3 4.22Å; H107-W115 HydrophobicContact CB-CH2 4.09Å; H107-W115 HydrophobicContact CB-CZ3 3.94Å; H107-W115 AromaticContact CG-CH2 3.96Å; H107-W115 AromaticContact CG-CZ3 3.99Å; Q111-W115 HydrophobicContact CG-CD2 4.17Å; Q111-W115 HydrophobicContact CG-CE3 4.19Å; Q111-W115 HydrophobicContact CG-CH2 3.65Å; Q111-W115 HydrophobicContact CG-CZ2 3.62Å; Q111-W115 HydrophobicContact CG-CZ3 3.94Å; Q111-W115 PolarHBondContact O-N 3.12Å; V112-W115 HydrophobicContact CG2-CE3 4.24Å; V112-W115 HydrophobicContact CG2-CZ3 4.35Å; V112-W115 PolarHBondContact O-N 2.75Å; W115-P123 HydrophobicContact CG-CB 4.46Å; W115-P124 HydrophobicContact CZ2-CG 4.13Å |
| 116 | R | 79.5 | Confident | 88.2 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -79.6 | -36 | 179.6 | -77.7 | 178.5 | 66.2 | -154.5 | -3.1 | 113.5 | F22 V112 K113 I114 | F22-R116 HydrophobicContact CE1-CG 3.63Å; F22-R116 HydrophobicContact CZ-CG 3.9Å; V112-R116 HydrophobicContact CG1-CG 4.25Å; V112-R116 VanDerWaalsContact O-CB 3.26Å; V112-R116 WeakPolarHBondContact O-CB 3.5Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 2.77Å; K113-R116 PolarHBondContact O-N 2.87Å; I114-R116 PolarHBondContact O-N 2.81Å |
| 117 | R | 79 | Confident | 88.7 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -122.7 | -26.3 | -165.2 | -64 | -168.1 | 170.7 | -153.6 | -7.2 | 114.4 | K113 I114 F119 M206 E207 | K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 2.65Å; I114-R117 PolarHBondContact O-N 3.23Å; R117-F119 PolarHBondContact O-N 3.49Å; R117-M206 WeakPolarHBondContact O-CG 3.38Å; R117-E207 IonicContact NH1-OE1 3.04Å; R117-E207 IonicContact NH1-OE2 3.33Å; R117-E207 PolarHBondContact NH1-OE2 3Å; R117-E207 VanDerWaalsContact NH1-OE2 3.12Å |
| 118 | S | 85.5 | Confident | 89.3 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | trans | -52.5 | 135.8 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | I114 D120 I121 | I114-S118 WeakPolarHBondContact O-CA 3.38Å; I114-S118 WeakPolarHBondContact O-CB 3.43Å; I114-S118 PolarHBondContact O-N 3.37Å; S118-D120 PolarHBondContact OG-N 3.48Å; S118-D120 PolarHBondContact OG-OD1 3.39Å; S118-I121 VanDerWaalsContact OG-CB 3.3Å; S118-I121 WeakPolarHBondContact OG-CB 3.26Å; S118-I121 WeakPolarHBondContact OG-CG1 3.36Å; S118-I121 PolarHBondContact OG-N 2.79Å | ||
| 119 | F | 89.5 | Confident | 89.8 | Confident | 23 Ų | 23 | 69 Ų | 69 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -65.1 | -47.2 | 178.8 | -179.5 | -110.3 | 0 | 0 | 0 | 111.1 | R117 S155 L156 K157 I160 K195 D202 I205 M206 | R117-F119 PolarHBondContact O-N 3.49Å; F119-S155 WeakPolarHBondContact O-CB 3.37Å; F119-L156 HydrophobicContact CD2-CB 4.38Å; F119-L156 HydrophobicContact CD2-CD2 4.09Å; F119-L156 HydrophobicContact CD2-CG 4.2Å; F119-L156 CarbonylContact O-C 3.59Å; F119-L156 PolarHBondContact O-N 3Å; F119-L156 VanDerWaalsContact O-N 3.12Å; F119-K157 HydrophobicContact CD1-CB 4.13Å; F119-K157 HydrophobicContact CD1-CD 4.5Å; F119-K157 HydrophobicContact CE1-CB 3.77Å; F119-K157 HydrophobicContact CE1-CD 3.95Å; F119-K157 HydrophobicContact CE1-CG 3.83Å; F119-K157 HydrophobicContact CE2-CB 4.32Å; F119-K157 HydrophobicContact CZ-CB 3.87Å; F119-K157 HydrophobicContact CZ-CG 4Å; F119-K157 WeakPolarHBondContact O-CB 3.28Å; F119-K157 PolarHBondContact O-N 2.99Å; F119-I160 HydrophobicContact CE2-CD1 3.72Å; F119-I160 HydrophobicContact CZ-CD1 4.46Å; F119-K195 HydrophobicContact CE2-CD 3.94Å; F119-K195 VanDerWaalsContact CE2-CE 3.48Å; F119-D202 HydrophobicContact CB-CB 4.23Å; F119-D202 HydrophobicContact CD1-CB 3.92Å; F119-D202 VanDerWaalsContact CD1-CG 3.47Å; F119-D202 WeakPolarHBondContact CD1-OD2 3.49Å; F119-D202 HydrophobicContact CD2-CB 4.29Å; F119-D202 HydrophobicContact CE1-CB 4.36Å; F119-D202 VanDerWaalsContact CE1-CG 3.44Å; F119-D202 VanDerWaalsContact CE1-OD2 3.27Å; F119-D202 WeakPolarHBondContact CE1-OD2 3.2Å; F119-D202 HydrophobicContact CG-CB 3.88Å; F119-I205 HydrophobicContact CD2-CG2 4.13Å; F119-M206 HydrophobicContact CB-SD 4.38Å |
| 120 | D | 93.2 | Very high | 90.4 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -117.2 | -9.8 | -166.2 | 62.3 | -15 | 0 | 0 | 0 | 114.7 | S118 P122 K157 | S118-D120 PolarHBondContact OG-N 3.48Å; S118-D120 PolarHBondContact OG-OD1 3.39Å; D120-P122 VanDerWaalsContact O-CD 3.24Å; D120-P122 WeakPolarHBondContact O-CD 3.36Å; D120-K157 HydrophobicContact CB-CD 4.24Å |
| 121 | I | 92.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 64 Ų | 64 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | trans | -88.7 | 112.3 | 177.4 | -59.1 | 170.1 | 0 | 0 | 0 | 109.7 | R90 I114 S118 | R90-I121 PolarHBondContact NH2-O 3.21Å; I114-I121 HydrophobicContact CG2-CB 4.01Å; I114-I121 HydrophobicContact CG2-CD1 3.67Å; I114-I121 HydrophobicContact CG2-CG1 4.43Å; I114-I121 HydrophobicContact CG2-CG2 3.88Å; S118-I121 VanDerWaalsContact OG-CB 3.3Å; S118-I121 WeakPolarHBondContact OG-CB 3.26Å; S118-I121 WeakPolarHBondContact OG-CG1 3.36Å; S118-I121 PolarHBondContact OG-N 2.79Å | ||
| 122 | P | 94.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 156.6 | 175.2 | 32.5 | -35.4 | 0 | 0 | 0 | 111.2 | D120 | D120-P122 VanDerWaalsContact O-CD 3.24Å; D120-P122 WeakPolarHBondContact O-CD 3.36Å |
| 123 | P | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -71 | 169.5 | 167 | 32.1 | -31.9 | 0 | 0 | 0 | 110.7 | L95 W115 C153 E154 | L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 3.98Å; W115-P123 HydrophobicContact CG-CB 4.46Å; P123-C153 HydrophobicContact CG-CB 3.99Å; P123-C153 PolarHBondContact O-SG 3.25Å; P123-C153 VanDerWaalsContact O-SG 3.33Å; P123-E154 WeakPolarHBondContact CD-O 3.12Å |
| 124 | P | 95.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 140.7 | 172.3 | -26.3 | 35.1 | 0 | 0 | 0 | 111.8 | G93 G94 W115 | G93-P124 CarbonylContact C-O 3.57Å; G93-P124 WeakPolarHBondContact CA-O 3.27Å; G94-P124 PolarHBondContact N-O 3.27Å; W115-P124 HydrophobicContact CZ2-CG 4.13Å |
| 125 | P | 97.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 66 Ų | 66 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 147.5 | -179.5 | 27.6 | -34.4 | 0 | 0 | 0 | 112.3 | N127 | P125-N127 PolarHBondContact O-N 2.83Š|
| 126 | M | 98.1 | Very high | 94 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 119.2 | 169.6 | -171.9 | 176.2 | -71.1 | 0 | 0 | 109.8 | G93 T96 H130 Y133 I136 T152 | G93-M126 WeakPolarHBondContact O-CE 3.24Å; T96-M126 HydrophobicContact CG2-CE 3.97Å; M126-H130 HydrophobicContact CG-CB 3.64Å; M126-H130 HydrophobicContact SD-CB 4.47Å; M126-Y133 HydrophobicContact CG-CD2 4.2Å; M126-Y133 HydrophobicContact SD-CD2 4.46Å; M126-I136 HydrophobicContact CE-CD1 3.97Å; M126-I136 HydrophobicContact SD-CD1 4.43Å; M126-T152 WeakPolarHBondContact CB-O 3.38Å; M126-T152 PolarHBondContact N-O 2.92Å |
| 127 | N | 96.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 62 Ų | 62 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 171.3 | 175.2 | 66.7 | 47.8 | 0 | 0 | 0 | 111.9 | P125 K129 H130 Y133 | P125-N127 PolarHBondContact O-N 2.83Å; N127-K129 PolarHBondContact O-N 2.57Å; N127-K129 WeakPolarHBondContact OD1-CA 3.27Å; N127-K129 WeakPolarHBondContact OD1-CB 3.33Å; N127-K129 PolarHBondContact OD1-N 3.48Å; N127-H130 WeakPolarHBondContact O-CB 3.4Å; N127-H130 PolarHBondContact O-N 3.13Å; N127-H130 PolarHBondContact OD1-N 3.25Å; N127-Y133 WeakPolarHBondContact O-CB 3.32Å; N127-Y133 WeakPolarHBondContact O-CD2 3.32Å |
| 128 | E | 96.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 67.1 Ų | 67.1 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.8 | -177.1 | -54.1 | -166.6 | 156.1 | 0 | 0 | 114.5 | H130 Y133 | E128-H130 VanDerWaalsContact C-N 3.31Å; E128-Y133 HydrophobicContact CB-CD1 4.23Å; E128-Y133 HydrophobicContact CB-CE1 4.06Å; E128-Y133 HydrophobicContact CG-CE1 3.89Å; E128-Y133 HydrophobicContact CG-CE2 4.13Å |
| 129 | K | 97.4 | Very high | 96.2 | Very high | 200 Ų | 200 | 68.5 Ų | 68.5 | 87% | 0.87 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.4 | 177.4 | -57.9 | -178.7 | 179.1 | -179.5 | 0 | 112.5 | N127 | N127-K129 PolarHBondContact O-N 2.57Å; N127-K129 WeakPolarHBondContact OD1-CA 3.27Å; N127-K129 WeakPolarHBondContact OD1-CB 3.33Å; N127-K129 PolarHBondContact OD1-N 3.48Å |
| 130 | H | 98.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 77.4 Ų | 77.4 | 13% | 0.13 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -67.5 | 136.5 | -178.7 | -173 | -91 | 0 | 0 | 0 | 110.6 | T96 M126 N127 E128 Y132 Y133 | T96-H130 PolarHBondContact O-CE1 3.34Å; T96-H130 PolarHBondContact O-NE2 3.38Å; M126-H130 HydrophobicContact CG-CB 3.64Å; M126-H130 HydrophobicContact SD-CB 4.47Å; N127-H130 WeakPolarHBondContact O-CB 3.4Å; N127-H130 PolarHBondContact O-N 3.13Å; N127-H130 PolarHBondContact OD1-N 3.25Å; E128-H130 VanDerWaalsContact C-N 3.31Å; H130-Y132 AromaticContact CE1-CD2 3.69Å; H130-Y132 PolarHBondContact ND1-N 2.77Å; H130-Y132 PolarHBondContact O-N 2.85Å; H130-Y133 VanDerWaalsContact O-CB 3.32Å; H130-Y133 WeakPolarHBondContact O-CB 3.39Å; H130-Y133 PolarHBondContact O-N 2.74Å |
| 131 | P | 98 | Very high | 96.8 | Very high | 113 Ų | 113 | 76.7 Ų | 76.7 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.9 | -174.2 | -27.8 | 34.8 | 0 | 0 | 0 | 114.7 | ||
| 132 | Y | 98 | Very high | 97.1 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6 | -179.6 | -59.7 | -81.1 | 0 | 0 | 0 | 114.2 | W16 F26 H130 N134 S135 I136 | W16-Y132 HydrophobicContact CH2-CD1 4.2Å; W16-Y132 HydrophobicContact CH2-CD2 4.31Å; W16-Y132 AromaticContact CH2-CE1 3.73Å; W16-Y132 HydrophobicContact CH2-CE1 3.73Å; W16-Y132 AromaticContact CH2-CE2 3.86Å; W16-Y132 HydrophobicContact CH2-CE2 3.86Å; W16-Y132 HydrophobicContact CH2-CG 4.47Å; W16-Y132 AromaticContact CH2-CZ 3.54Å; W16-Y132 AromaticContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE2 4.38Å; W16-Y132 AromaticContact CZ2-CZ 3.64Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.49Å; F26-Y132 AromaticContact CD2-CD1 3.6Å; F26-Y132 HydrophobicContact CD2-CD1 3.6Å; F26-Y132 AromaticContact CD2-CE1 3.92Å; F26-Y132 HydrophobicContact CD2-CE1 3.92Å; F26-Y132 HydrophobicContact CD2-CG 4.43Å; F26-Y132 AromaticContact CE2-CD1 3.72Å; F26-Y132 HydrophobicContact CE2-CD1 3.72Å; F26-Y132 AromaticContact CE2-CE1 3.68Å; F26-Y132 HydrophobicContact CE2-CE1 3.68Å; F26-Y132 HydrophobicContact CZ-CE1 4.39Å; H130-Y132 AromaticContact CE1-CD2 3.69Å; H130-Y132 PolarHBondContact ND1-N 2.77Å; H130-Y132 PolarHBondContact O-N 2.85Å; Y132-N134 PolarHBondContact O-N 3.46Å; Y132-S135 PolarHBondContact O-N 3.49Å; Y132-S135 PolarHBondContact O-OG 2.95Å; Y132-I136 WeakPolarHBondContact O-CB 2.97Å; Y132-I136 WeakPolarHBondContact O-CG1 3.23Å; Y132-I136 PolarHBondContact O-N 3.17Å |
| 133 | Y | 98.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 74.9 Ų | 74.9 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | -177.6 | 176.4 | -95 | 0 | 0 | 0 | 111.7 | M126 N127 E128 H130 S135 I136 S137 K138 | M126-Y133 HydrophobicContact CG-CD2 4.2Å; M126-Y133 HydrophobicContact SD-CD2 4.46Å; N127-Y133 WeakPolarHBondContact O-CB 3.32Å; N127-Y133 WeakPolarHBondContact O-CD2 3.32Å; E128-Y133 HydrophobicContact CB-CD1 4.23Å; E128-Y133 HydrophobicContact CB-CE1 4.06Å; E128-Y133 HydrophobicContact CG-CE1 3.89Å; E128-Y133 HydrophobicContact CG-CE2 4.13Å; H130-Y133 VanDerWaalsContact O-CB 3.32Å; H130-Y133 WeakPolarHBondContact O-CB 3.39Å; H130-Y133 PolarHBondContact O-N 2.74Å; Y133-S135 PolarHBondContact O-N 3.29Å; Y133-I136 PolarHBondContact O-N 3.44Å; Y133-S137 WeakPolarHBondContact CD2-OG 3.44Å; Y133-S137 WeakPolarHBondContact O-CA 2.99Å; Y133-S137 VanDerWaalsContact O-CB 3.32Å; Y133-S137 WeakPolarHBondContact O-CB 3.32Å; Y133-S137 PolarHBondContact O-N 3.38Å; Y133-K138 HydrophobicContact CE1-CD 4.4Å; Y133-K138 HydrophobicContact CE1-CG 4.2Å; Y133-K138 WeakPolarHBondContact OH-CE 3.49Å; Y133-K138 PolarHBondContact OH-NZ 2.76Å |
| 134 | N | 97.3 | Very high | 97.3 | Very high | 116 Ų | 116 | 78.4 Ų | 78.4 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | -177.8 | -72.7 | -24.2 | 0 | 0 | 0 | 112.7 | Y132 I136 K138 | Y132-N134 PolarHBondContact O-N 3.46Å; N134-I136 VanDerWaalsContact C-N 3.28Å; N134-I136 PolarHBondContact O-N 3.42Å; N134-K138 WeakPolarHBondContact O-CB 3.1Å |
| 135 | S | 97.3 | Very high | 97.3 | Very high | 67 Ų | 67 | 77.3 Ų | 77.3 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77 | -12 | 179.9 | 57 | 0 | 0 | 0 | 0 | 114.1 | Y132 Y133 | Y132-S135 PolarHBondContact O-N 3.49Å; Y132-S135 PolarHBondContact O-OG 2.95Å; Y133-S135 PolarHBondContact O-N 3.29Å |
| 136 | I | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.015 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -111.3 | -66 | 177.9 | -63 | 170.1 | 0 | 0 | 0 | 110.1 | W25 F26 T96 M126 Y132 Y133 N134 K138 E139 Y142 | W25-I136 HydrophobicContact CB-CG2 3.74Å; W25-I136 HydrophobicContact CE3-CG2 4.33Å; F26-I136 HydrophobicContact CB-CD1 4.14Å; T96-I136 HydrophobicContact CG2-CD1 3.94Å; M126-I136 HydrophobicContact CE-CD1 3.97Å; M126-I136 HydrophobicContact SD-CD1 4.43Å; Y132-I136 WeakPolarHBondContact O-CB 2.97Å; Y132-I136 WeakPolarHBondContact O-CG1 3.23Å; Y132-I136 PolarHBondContact O-N 3.17Å; Y133-I136 PolarHBondContact O-N 3.44Å; N134-I136 VanDerWaalsContact C-N 3.28Å; N134-I136 PolarHBondContact O-N 3.42Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 3.1Å; I136-E139 WeakPolarHBondContact O-CB 3.43Å; I136-E139 PolarHBondContact O-N 3.34Å; I136-Y142 WeakPolarHBondContact O-CD2 3.41Å; I136-Y142 WeakPolarHBondContact O-CE2 3.45Å |
| 137 | S | 94.8 | Very high | 97 | Very high | 16 Ų | 16 | 87.1 Ų | 87.1 | 11% | 0.112 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -74.1 | -16.2 | -169.7 | -52.3 | 0 | 0 | 0 | 0 | 114.3 | Y133 | Y133-S137 WeakPolarHBondContact CD2-OG 3.44Å; Y133-S137 WeakPolarHBondContact O-CA 2.99Å; Y133-S137 VanDerWaalsContact O-CB 3.32Å; Y133-S137 WeakPolarHBondContact O-CB 3.32Å; Y133-S137 PolarHBondContact O-N 3.38Å |
| 138 | K | 96.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 86.7 Ų | 86.7 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 9.8 | 175 | -55.3 | -64.1 | -176 | -177.1 | 0 | 112.9 | Y133 N134 I136 | Y133-K138 HydrophobicContact CE1-CD 4.4Å; Y133-K138 HydrophobicContact CE1-CG 4.2Å; Y133-K138 WeakPolarHBondContact OH-CE 3.49Å; Y133-K138 PolarHBondContact OH-NZ 2.76Å; N134-K138 WeakPolarHBondContact O-CB 3.1Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 3.1Å |
| 139 | E | 97.9 | Very high | 96.7 | Very high | 46 Ų | 46 | 82.5 Ų | 82.5 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | trans | -74.6 | 133.5 | -178.1 | -143.8 | -80.2 | -169.8 | 0 | 0 | 111.2 | I136 R141 Y142 | I136-E139 WeakPolarHBondContact O-CB 3.43Å; I136-E139 PolarHBondContact O-N 3.34Å; E139-R141 PolarHBondContact O-N 3.21Å; E139-R141 VanDerWaalsContact O-N 3.1Å; E139-R141 IonicContact OE1-CZ 3.85Å; E139-R141 IonicContact OE1-NE 3.92Å; E139-R141 PolarHBondContact OE1-NE 3.2Å; E139-R141 IonicContact OE1-NH2 3.26Å; E139-R141 PolarHBondContact OE1-NH2 3.2Å; E139-R141 WeakPolarHBondContact OE2-CB 3.42Å; E139-R141 WeakPolarHBondContact OE2-CG 3.14Å; E139-R141 PolarHBondContact OE2-N 2.72Å; E139-R141 IonicContact OE2-NE 3.12Å; E139-R141 PolarHBondContact OE2-NE 3.3Å; E139-R141 VanDerWaalsContact OE2-NE 3.14Å; E139-Y142 HydrophobicContact CB-CD2 3.99Å; E139-Y142 HydrophobicContact CB-CE2 4.2Å; E139-Y142 PolarHBondContact O-N 2.86Å | ||
| 140 | R | 98.2 | Very high | 96.7 | Very high | 210 Ų | 210 | 75.5 Ų | 75.5 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -54.9 | -28.1 | -174.9 | 67.5 | 177.9 | -178.6 | 83 | 0.1 | 115.4 | Y142 A143 | R140-Y142 PolarHBondContact O-N 2.8Å; R140-A143 VanDerWaalsContact O-CB 3.23Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.15Å |
| 141 | R | 98.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 75.2 Ų | 75.2 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -65.4 | -16.7 | 178.1 | 79.3 | -173.4 | 65.9 | 177.4 | 9.2 | 112.1 | D27 V59 E139 | D27-R141 VanDerWaalsContact CG-NH1 3.28Å; D27-R141 IonicContact OD1-NH1 2.7Å; D27-R141 IonicContact OD2-CZ 3.84Å; D27-R141 IonicContact OD2-NH1 2.98Å; D27-R141 PolarHBondContact OD2-NH1 3.39Å; D27-R141 IonicContact OD2-NH2 3.87Å; D27-R141 PolarHBondContact OD2-NH2 3.46Å; V59-R141 HydrophobicContact CG2-CG 4.25Å; V59-R141 PolarHBondContact O-NH1 3.5Å; E139-R141 PolarHBondContact O-N 3.21Å; E139-R141 VanDerWaalsContact O-N 3.1Å; E139-R141 IonicContact OE1-CZ 3.85Å; E139-R141 IonicContact OE1-NE 3.92Å; E139-R141 PolarHBondContact OE1-NE 3.2Å; E139-R141 IonicContact OE1-NH2 3.26Å; E139-R141 PolarHBondContact OE1-NH2 3.2Å; E139-R141 WeakPolarHBondContact OE2-CB 3.42Å; E139-R141 WeakPolarHBondContact OE2-CG 3.14Å; E139-R141 PolarHBondContact OE2-N 2.72Å; E139-R141 IonicContact OE2-NE 3.12Å; E139-R141 PolarHBondContact OE2-NE 3.3Å; E139-R141 VanDerWaalsContact OE2-NE 3.14Å |
| 142 | Y | 98.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 73.1 Ų | 73.1 | 5% | 0.047 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -103.3 | -1.9 | 174.5 | -52.3 | -60.5 | 0 | 0 | 0 | 113.3 | W25 V59 W85 N88 I136 E139 R140 G144 L145 L150 | W25-Y142 AromaticContact CE3-CE1 3.84Å; W25-Y142 HydrophobicContact CE3-CE1 3.84Å; W25-Y142 HydrophobicContact CE3-CE2 4.12Å; W25-Y142 AromaticContact CE3-CZ 3.6Å; W25-Y142 HydrophobicContact CH2-CE1 4.32Å; W25-Y142 AromaticContact CZ3-CD1 3.84Å; W25-Y142 HydrophobicContact CZ3-CD1 3.84Å; W25-Y142 AromaticContact CZ3-CE1 3.48Å; W25-Y142 HydrophobicContact CZ3-CE1 3.48Å; W25-Y142 VanDerWaalsContact CZ3-CE1 3.48Å; W25-Y142 HydrophobicContact CZ3-CE2 4.34Å; W25-Y142 HydrophobicContact CZ3-CG 4.41Å; W25-Y142 AromaticContact CZ3-CZ 3.75Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å; W85-Y142 HydrophobicContact CB-CD1 4.3Å; W85-Y142 HydrophobicContact CB-CE1 4.1Å; N88-Y142 PolarHBondContact ND2-OH 3.16Å; I136-Y142 WeakPolarHBondContact O-CD2 3.41Å; I136-Y142 WeakPolarHBondContact O-CE2 3.45Å; E139-Y142 HydrophobicContact CB-CD2 3.99Å; E139-Y142 HydrophobicContact CB-CE2 4.2Å; E139-Y142 PolarHBondContact O-N 2.86Å; R140-Y142 PolarHBondContact O-N 2.8Å; Y142-G144 PolarHBondContact O-N 3.44Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-L145 WeakPolarHBondContact O-CB 3.39Å; Y142-L145 PolarHBondContact O-N 2.93Å; Y142-L145 VanDerWaalsContact O-N 3.12Å; Y142-L150 HydrophobicContact CD1-CD1 4.46Å; Y142-L150 HydrophobicContact CG-CD1 4.19Å |
| 143 | A | 97 | Very high | 96.6 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R140 | R140-A143 VanDerWaalsContact O-CB 3.23Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.15Å |
| 144 | G | 96.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 70 Ų | 70 | 78% | 0.784 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y142 | Y142-G144 PolarHBondContact O-N 3.44Å; Y142-G144 VanDerWaalsContact O-N 3.14Å |
| 145 | L | 95.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -70.9 | 144.1 | 176.5 | -87.4 | 61.5 | 0 | 0 | 0 | 110 | W85 Y142 E149 L150 | W85-L145 HydrophobicContact CD2-CD2 3.89Å; W85-L145 HydrophobicContact CD2-CG 4.45Å; W85-L145 HydrophobicContact CE3-CD2 4.42Å; W85-L145 HydrophobicContact CG-CD1 4.09Å; W85-L145 HydrophobicContact CG-CD2 4.12Å; W85-L145 HydrophobicContact CG-CG 4.43Å; W85-L145 HydrophobicContact CZ2-CD2 4.14Å; W85-L145 HydrophobicContact CZ2-CG 4.45Å; Y142-L145 WeakPolarHBondContact O-CB 3.39Å; Y142-L145 PolarHBondContact O-N 2.93Å; Y142-L145 VanDerWaalsContact O-N 3.12Å; L145-E149 HydrophobicContact CB-CB 4.13Å; L145-E149 HydrophobicContact CD2-CB 4.23Å; L145-E149 HydrophobicContact CG-CB 4.21Å; L145-L150 HydrophobicContact CD2-CB 4Å; L145-L150 HydrophobicContact CD2-CD1 4.24Å |
| 146 | K | 95.8 | Very high | 96.3 | Very high | 149 Ų | 149 | 61.5 Ų | 61.5 | 65% | 0.648 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 154.1 | 174.1 | -61.7 | 174.7 | -178.1 | 174.9 | 0 | 110 | G148 E149 | K146-G148 PolarHBondContact O-N 3.28Å; K146-E149 HydrophobicContact CB-CG 3.98Å; K146-E149 WeakPolarHBondContact CB-OE2 3.33Å; K146-E149 PolarHBondContact N-OE2 3.47Å; K146-E149 WeakPolarHBondContact O-CB 3.44Å; K146-E149 PolarHBondContact O-N 3.36Å |
| 147 | P | 92.6 | Very high | 96.2 | Very high | 138 Ų | 138 | 66.7 Ų | 66.7 | 90% | 0.896 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 128.8 | 170.5 | -26.5 | 35.2 | 0 | 0 | 0 | 111.1 | ||
| 148 | G | 92.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 69.2 Ų | 69.2 | 87% | 0.866 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -10 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | K146 | K146-G148 PolarHBondContact O-N 3.28Š|
| 149 | E | 95.5 | Very high | 96.4 | Very high | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -27.5 | 177.1 | -72.6 | -172.2 | 138 | 0 | 0 | 113.5 | W85 R86 L145 K146 P151 | W85-E149 HydrophobicContact CH2-CB 4.47Å; W85-E149 VanDerWaalsContact CH2-O 3.24Å; W85-E149 WeakPolarHBondContact CH2-O 3.4Å; W85-E149 HydrophobicContact CZ2-CB 4.1Å; R86-E149 IonicContact NH2-OE1 2.95Å; R86-E149 PolarHBondContact NH2-OE1 2.85Å; R86-E149 VanDerWaalsContact NH2-OE1 3.09Å; L145-E149 HydrophobicContact CB-CB 4.13Å; L145-E149 HydrophobicContact CD2-CB 4.23Å; L145-E149 HydrophobicContact CG-CB 4.21Å; K146-E149 HydrophobicContact CB-CG 3.98Å; K146-E149 WeakPolarHBondContact CB-OE2 3.33Å; K146-E149 PolarHBondContact N-OE2 3.47Å; K146-E149 WeakPolarHBondContact O-CB 3.44Å; K146-E149 PolarHBondContact O-N 3.36Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å |
| 150 | L | 96.9 | Very high | 96.2 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -79.4 | 108 | 178.3 | 179.6 | 62.3 | 0 | 0 | 0 | 109.7 | W25 Y142 L145 | W25-L150 HydrophobicContact CE3-CD1 4.15Å; W25-L150 HydrophobicContact CH2-CD1 3.95Å; W25-L150 HydrophobicContact CZ3-CD1 3.3Å; Y142-L150 HydrophobicContact CD1-CD1 4.46Å; Y142-L150 HydrophobicContact CG-CD1 4.19Å; L145-L150 HydrophobicContact CD2-CB 4Å; L145-L150 HydrophobicContact CD2-CD1 4.24Å |
| 151 | P | 97.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -75.6 | 145.2 | -177.5 | 31.6 | -35.3 | 0 | 0 | 0 | 111.5 | W25 H91 E149 E154 | W25-P151 HydrophobicContact CH2-CG 3.84Å; W25-P151 HydrophobicContact CZ2-CG 3.66Å; H91-P151 HydrophobicContact CB-CG 4.27Å; H91-P151 PolarHBondContact CD2-O 3.23Å; H91-P151 VanDerWaalsContact CD2-O 3.23Å; H91-P151 PolarHBondContact NE2-O 3.33Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-E154 HydrophobicContact CB-CG 3.69Å; P151-E154 HydrophobicContact CG-CG 3.74Å | ||
| 152 | T | 97.8 | Very high | 96.1 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -86.2 | -20 | 167.6 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | G93 M126 | G93-T152 WeakPolarHBondContact CA-O 3.31Å; M126-T152 WeakPolarHBondContact CB-O 3.38Å; M126-T152 PolarHBondContact N-O 2.92Å |
| 153 | C | 97.4 | Very high | 96 | Very high | 25 Ų | 25 | 51 Ų | 51 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -162.6 | 161.2 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | H91 P123 | H91-C153 CarbonylContact O-C 3.53Å; H91-C153 WeakPolarHBondContact O-CA 3.32Å; P123-C153 HydrophobicContact CG-CB 3.99Å; P123-C153 PolarHBondContact O-SG 3.25Å; P123-C153 VanDerWaalsContact O-SG 3.33Å |
| 154 | E | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | trans | -135.1 | 139.6 | 176.7 | -68.6 | 178.9 | 117.7 | 0 | 0 | 110.3 | R90 H91 P123 P151 D158 R162 | R90-E154 HydrophobicContact CG-CB 4.09Å; R90-E154 WeakPolarHBondContact CG-O 3.41Å; R90-E154 PolarHBondContact NE-O 2.6Å; R90-E154 PolarHBondContact NH2-O 2.89Å; H91-E154 HydrophobicContact CB-CB 4.22Å; H91-E154 HydrophobicContact CB-CG 3.85Å; H91-E154 PolarHBondContact N-OE2 3.03Å; H91-E154 PolarHBondContact O-N 3Å; P123-E154 WeakPolarHBondContact CD-O 3.12Å; P151-E154 HydrophobicContact CB-CG 3.69Å; P151-E154 HydrophobicContact CG-CG 3.74Å; E154-D158 HydrophobicContact CB-CB 4.07Å; E154-D158 HydrophobicContact CG-CB 4.27Å; E154-R162 WeakPolarHBondContact OE1-CG 3.24Å; E154-R162 IonicContact OE1-CZ 3.42Å; E154-R162 IonicContact OE1-NE 3.78Å; E154-R162 PolarHBondContact OE1-NE 3.14Å; E154-R162 IonicContact OE1-NH2 3.09Å; E154-R162 PolarHBondContact OE1-NH2 2.71Å; E154-R162 IonicContact OE2-CZ 3.69Å; E154-R162 IonicContact OE2-NE 2.82Å; E154-R162 IonicContact OE2-NH2 3.69Å; E154-R162 PolarHBondContact OE2-NH2 3.23Å; E154-R162 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 155 | S | 95.4 | Very high | 96 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | trans | -73.7 | 174.4 | 153.7 | 68.8 | 0 | 0 | 0 | 0 | 111 | F119 K157 D158 T159 | F119-S155 WeakPolarHBondContact O-CB 3.37Å; S155-K157 VanDerWaalsContact C-N 3.28Å; S155-K157 WeakPolarHBondContact OG-CB 3.4Å; S155-K157 PolarHBondContact OG-N 3.22Å; S155-D158 VanDerWaalsContact CB-OD2 3.3Å; S155-D158 WeakPolarHBondContact CB-OD2 3.44Å; S155-D158 PolarHBondContact N-OD2 2.73Å; S155-D158 PolarHBondContact O-N 3.03Å; S155-D158 PolarHBondContact OG-N 2.84Å; S155-D158 PolarHBondContact OG-OD2 3.29Å; S155-T159 PolarHBondContact O-N 2.89Å; S155-T159 VanDerWaalsContact O-N 3.12Å; S155-T159 PolarHBondContact O-OG1 3.01Å | ||
| 156 | L | 92.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 169.5 | 177.9 | 60.2 | 0 | 0 | 0 | 110.2 | F119 D158 T159 I160 N188 I205 | F119-L156 HydrophobicContact CD2-CB 4.38Å; F119-L156 HydrophobicContact CD2-CD2 4.09Å; F119-L156 HydrophobicContact CD2-CG 4.2Å; F119-L156 CarbonylContact O-C 3.59Å; F119-L156 PolarHBondContact O-N 3Å; F119-L156 VanDerWaalsContact O-N 3.12Å; L156-D158 PolarHBondContact O-N 3.31Å; L156-T159 WeakPolarHBondContact O-CB 3.47Å; L156-T159 PolarHBondContact O-N 3.2Å; L156-I160 HydrophobicContact CD1-CD1 4.21Å; L156-I160 HydrophobicContact CD1-CG1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.94Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 2.99Å; L156-N188 HydrophobicContact CD1-CB 3.94Å; L156-I205 HydrophobicContact CD2-CG1 4.18Å; L156-I205 HydrophobicContact CD2-CG2 4.05Å |
| 157 | K | 95.5 | Very high | 96.2 | Very high | 112 Ų | 112 | 39.3 Ų | 39.3 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 174.4 | -176 | -177.9 | -179.8 | 180 | 0 | 111.8 | F119 D120 S155 I160 A161 | F119-K157 HydrophobicContact CD1-CB 4.13Å; F119-K157 HydrophobicContact CD1-CD 4.5Å; F119-K157 HydrophobicContact CE1-CB 3.77Å; F119-K157 HydrophobicContact CE1-CD 3.95Å; F119-K157 HydrophobicContact CE1-CG 3.83Å; F119-K157 HydrophobicContact CE2-CB 4.32Å; F119-K157 HydrophobicContact CZ-CB 3.87Å; F119-K157 HydrophobicContact CZ-CG 4Å; F119-K157 WeakPolarHBondContact O-CB 3.28Å; F119-K157 PolarHBondContact O-N 2.99Å; D120-K157 HydrophobicContact CB-CD 4.24Å; S155-K157 VanDerWaalsContact C-N 3.28Å; S155-K157 WeakPolarHBondContact OG-CB 3.4Å; S155-K157 PolarHBondContact OG-N 3.22Å; K157-I160 WeakPolarHBondContact O-CB 3.49Å; K157-I160 PolarHBondContact O-N 3.36Å; K157-A161 WeakPolarHBondContact O-CB 3.12Å; K157-A161 PolarHBondContact O-N 2.96Å |
| 158 | D | 97.2 | Very high | 96.4 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 178.2 | -57 | -41.2 | 0 | 0 | 0 | 111.1 | E154 S155 L156 I160 A161 R162 | E154-D158 HydrophobicContact CB-CB 4.07Å; E154-D158 HydrophobicContact CG-CB 4.27Å; S155-D158 VanDerWaalsContact CB-OD2 3.3Å; S155-D158 WeakPolarHBondContact CB-OD2 3.44Å; S155-D158 PolarHBondContact N-OD2 2.73Å; S155-D158 PolarHBondContact O-N 3.03Å; S155-D158 PolarHBondContact OG-N 2.84Å; S155-D158 PolarHBondContact OG-OD2 3.29Å; L156-D158 PolarHBondContact O-N 3.31Å; D158-I160 VanDerWaalsContact C-N 3.25Å; D158-I160 PolarHBondContact O-N 2.95Å; D158-A161 WeakPolarHBondContact O-CB 3.49Å; D158-A161 PolarHBondContact O-N 3.33Å; D158-A161 VanDerWaalsContact O-N 3.09Å; D158-R162 WeakPolarHBondContact O-CG 3.43Å; D158-R162 PolarHBondContact O-N 3.12Å |
| 159 | T | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.9 | -44.3 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | S155 L156 R162 A163 N188 | S155-T159 PolarHBondContact O-N 2.89Å; S155-T159 VanDerWaalsContact O-N 3.12Å; S155-T159 PolarHBondContact O-OG1 3.01Å; L156-T159 WeakPolarHBondContact O-CB 3.47Å; L156-T159 PolarHBondContact O-N 3.2Å; T159-R162 VanDerWaalsContact O-CD 3.31Å; T159-R162 WeakPolarHBondContact O-CD 3.48Å; T159-R162 WeakPolarHBondContact O-CG 3.33Å; T159-R162 PolarHBondContact O-NE 2.84Å; T159-A163 VanDerWaalsContact O-CB 3.22Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 2.68Å; T159-A163 VanDerWaalsContact O-N 3.1Å; T159-N188 HydrophobicContact CG2-CB 4.46Å |
| 160 | I | 95 | Very high | 96.8 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.5 | -69.5 | 169.8 | 0 | 0 | 0 | 111 | F119 L156 K157 D158 R162 A163 L164 K195 | F119-I160 HydrophobicContact CE2-CD1 3.72Å; F119-I160 HydrophobicContact CZ-CD1 4.46Å; L156-I160 HydrophobicContact CD1-CD1 4.21Å; L156-I160 HydrophobicContact CD1-CG1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.94Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 2.99Å; K157-I160 WeakPolarHBondContact O-CB 3.49Å; K157-I160 PolarHBondContact O-N 3.36Å; D158-I160 VanDerWaalsContact C-N 3.25Å; D158-I160 PolarHBondContact O-N 2.95Å; I160-R162 PolarHBondContact O-N 2.99Å; I160-A163 PolarHBondContact O-N 3.04Å; I160-A163 VanDerWaalsContact O-N 3.08Å; I160-L164 HydrophobicContact CG2-CD1 3.5Å; I160-L164 VanDerWaalsContact CG2-CD1 3.5Å; I160-L164 HydrophobicContact CG2-CG 3.81Å; I160-L164 WeakPolarHBondContact O-CG 3.35Å; I160-L164 PolarHBondContact O-N 3.26Å; I160-K195 HydrophobicContact CD1-CD 3.78Å |
| 161 | A | 96.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 38 Ų | 38 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -34.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K157 D158 P165 | K157-A161 WeakPolarHBondContact O-CB 3.12Å; K157-A161 PolarHBondContact O-N 2.96Å; D158-A161 WeakPolarHBondContact O-CB 3.49Å; D158-A161 PolarHBondContact O-N 3.33Å; D158-A161 VanDerWaalsContact O-N 3.09Å; A161-P165 WeakPolarHBondContact O-CD 3.15Å; A161-P165 WeakPolarHBondContact O-CG 3.46Å |
| 162 | R | 97.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 6% | 0.06 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.7 | -22 | 174.3 | 60.6 | 75.5 | 174.6 | 162.2 | -3.1 | 114.8 | W85 R86 N88 E89 E154 D158 T159 I160 | W85-R162 HydrophobicContact CH2-CB 3.8Å; W85-R162 HydrophobicContact CH2-CG 4.15Å; W85-R162 HydrophobicContact CZ3-CB 4.04Å; W85-R162 HydrophobicContact CZ3-CG 3.86Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.13Å; R86-R162 WeakPolarHBondContact CD-O 3.46Å; R86-R162 WeakPolarHBondContact CG-O 3.44Å; R86-R162 PolarHBondContact NH1-O 2.87Å; R86-R162 PolarHBondContact O-NH1 2.89Å; N88-R162 VanDerWaalsContact O-CZ 3.28Å; N88-R162 PolarHBondContact O-NH1 3.21Å; N88-R162 PolarHBondContact O-NH2 3.07Å; E89-R162 PolarHBondContact O-NH2 2.95Å; E89-R162 VanDerWaalsContact O-NH2 3.09Å; E154-R162 WeakPolarHBondContact OE1-CG 3.24Å; E154-R162 IonicContact OE1-CZ 3.42Å; E154-R162 IonicContact OE1-NE 3.78Å; E154-R162 PolarHBondContact OE1-NE 3.14Å; E154-R162 IonicContact OE1-NH2 3.09Å; E154-R162 PolarHBondContact OE1-NH2 2.71Å; E154-R162 IonicContact OE2-CZ 3.69Å; E154-R162 IonicContact OE2-NE 2.82Å; E154-R162 IonicContact OE2-NH2 3.69Å; E154-R162 PolarHBondContact OE2-NH2 3.23Å; E154-R162 VanDerWaalsContact OE2-NH2 3.08Å; D158-R162 WeakPolarHBondContact O-CG 3.43Å; D158-R162 PolarHBondContact O-N 3.12Å; T159-R162 VanDerWaalsContact O-CD 3.31Å; T159-R162 WeakPolarHBondContact O-CD 3.48Å; T159-R162 WeakPolarHBondContact O-CG 3.33Å; T159-R162 PolarHBondContact O-NE 2.84Å; I160-R162 PolarHBondContact O-N 2.99Å |
| 163 | A | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -83.6 | -38.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R86 T159 I160 F166 W167 | R86-A163 WeakPolarHBondContact O-CA 3.22Å; R86-A163 WeakPolarHBondContact O-CB 3.47Å; T159-A163 VanDerWaalsContact O-CB 3.22Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 2.68Å; T159-A163 VanDerWaalsContact O-N 3.1Å; I160-A163 PolarHBondContact O-N 3.04Å; I160-A163 VanDerWaalsContact O-N 3.08Å; A163-F166 PolarHBondContact O-N 3.39Å; A163-W167 PolarHBondContact O-N 3.48Å |
| 164 | L | 95.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | -177.1 | -74.5 | -178.7 | 0 | 0 | 0 | 114.9 | I160 F166 W167 N168 H196 | I160-L164 HydrophobicContact CG2-CD1 3.5Å; I160-L164 VanDerWaalsContact CG2-CD1 3.5Å; I160-L164 HydrophobicContact CG2-CG 3.81Å; I160-L164 WeakPolarHBondContact O-CG 3.35Å; I160-L164 PolarHBondContact O-N 3.26Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.28Å; L164-W167 WeakPolarHBondContact O-CB 3.39Å; L164-W167 PolarHBondContact O-N 3.4Å; L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 PolarHBondContact O-N 3.31Å; L164-N168 PolarHBondContact O-ND2 3.42Å; L164-H196 HydrophobicContact CD2-CB 3.65Å |
| 165 | P | 96.9 | Very high | 97 | Very high | 37 Ų | 37 | 38 Ų | 38 | 24% | 0.24 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.7 | -47.1 | 172.2 | -28.6 | 36.3 | 0 | 0 | 0 | 111.8 | A161 W167 N168 E169 | A161-P165 WeakPolarHBondContact O-CD 3.15Å; A161-P165 WeakPolarHBondContact O-CG 3.46Å; P165-W167 PolarHBondContact O-N 3.35Å; P165-N168 PolarHBondContact O-N 3.41Å; P165-E169 VanDerWaalsContact O-CB 3.23Å; P165-E169 WeakPolarHBondContact O-CB 3.49Å; P165-E169 VanDerWaalsContact O-CG 3.27Å; P165-E169 WeakPolarHBondContact O-CG 3.29Å; P165-E169 PolarHBondContact O-N 3.28Å |
| 166 | F | 98 | Very high | 97 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.6 | -172.9 | -102 | 0 | 0 | 0 | 112.8 | Y56 V82 T84 R86 L87 A163 L164 E170 I171 | Y56-F166 AromaticContact CD1-CE1 3.63Å; Y56-F166 HydrophobicContact CD1-CE1 3.63Å; Y56-F166 AromaticContact CD1-CZ 3.59Å; Y56-F166 HydrophobicContact CD1-CZ 3.59Å; Y56-F166 HydrophobicContact CE1-CE1 4.1Å; Y56-F166 AromaticContact CE1-CZ 3.82Å; Y56-F166 HydrophobicContact CE1-CZ 3.82Å; Y56-F166 HydrophobicContact CG-CE1 4.35Å; V82-F166 HydrophobicContact CG1-CE2 4.47Å; V82-F166 HydrophobicContact CG1-CZ 4.03Å; T84-F166 HydrophobicContact CG2-CD1 3.69Å; T84-F166 HydrophobicContact CG2-CD2 3.9Å; T84-F166 HydrophobicContact CG2-CE1 3.43Å; T84-F166 VanDerWaalsContact CG2-CE1 3.43Å; T84-F166 HydrophobicContact CG2-CE2 3.64Å; T84-F166 HydrophobicContact CG2-CG 3.92Å; T84-F166 HydrophobicContact CG2-CZ 3.4Å; T84-F166 VanDerWaalsContact CG2-CZ 3.4Å; R86-F166 HydrophobicContact CB-CB 3.84Å; R86-F166 HydrophobicContact CB-CG 4.29Å; R86-F166 HydrophobicContact CG-CB 4.42Å; L87-F166 HydrophobicContact CD1-CD1 4.3Å; L87-F166 HydrophobicContact CD1-CE1 3.91Å; L87-F166 HydrophobicContact CD2-CD1 4.49Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.23Å; A163-F166 PolarHBondContact O-N 3.39Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.28Å; F166-E170 HydrophobicContact CD2-CB 4.06Å; F166-E170 HydrophobicContact CD2-CG 3.7Å; F166-E170 HydrophobicContact CE1-CB 4.5Å; F166-E170 HydrophobicContact CE2-CB 3.84Å; F166-E170 HydrophobicContact CE2-CG 3.59Å; F166-E170 HydrophobicContact CZ-CB 4.06Å; F166-E170 HydrophobicContact CZ-CG 4.31Å; F166-E170 WeakPolarHBondContact O-CB 3.3Å; F166-E170 PolarHBondContact O-N 2.92Å; F166-I171 HydrophobicContact CD1-CD1 3.9Å; F166-I171 HydrophobicContact CD1-CG1 4.09Å; F166-I171 HydrophobicContact CE1-CD1 3.82Å; F166-I171 HydrophobicContact CE1-CG1 3.88Å; F166-I171 PolarHBondContact O-N 3Å |
| 167 | W | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -57.5 | -49.7 | 174.2 | 166.7 | -95.8 | 0 | 0 | 0 | 111.5 | L6 A163 L164 P165 I171 V172 I175 I183 I193 H196 L197 | L6-W167 HydrophobicContact CD2-CH2 3.7Å; L6-W167 HydrophobicContact CD2-CZ3 3.85Å; A163-W167 PolarHBondContact O-N 3.48Å; L164-W167 WeakPolarHBondContact O-CB 3.39Å; L164-W167 PolarHBondContact O-N 3.4Å; P165-W167 PolarHBondContact O-N 3.35Å; W167-I171 HydrophobicContact CE3-CB 4.04Å; W167-I171 HydrophobicContact CE3-CD1 4.05Å; W167-I171 HydrophobicContact CE3-CG2 3.84Å; W167-I171 HydrophobicContact CZ3-CB 4.44Å; W167-I171 HydrophobicContact CZ3-CG2 3.74Å; W167-I171 WeakPolarHBondContact O-CB 3.3Å; W167-I171 PolarHBondContact O-N 3.24Å; W167-V172 HydrophobicContact CD2-CG2 4.26Å; W167-V172 HydrophobicContact CG-CG2 4.36Å; W167-V172 HydrophobicContact CZ2-CG2 4.02Å; W167-V172 WeakPolarHBondContact O-CB 3.05Å; W167-V172 VanDerWaalsContact O-CG2 3.31Å; W167-V172 WeakPolarHBondContact O-CG2 3.29Å; W167-V172 PolarHBondContact O-N 3.15Å; W167-I175 HydrophobicContact CH2-CD1 3.68Å; W167-I175 HydrophobicContact CZ2-CD1 4.36Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; W167-I183 HydrophobicContact CE3-CD1 4.39Å; W167-I183 HydrophobicContact CZ3-CD1 4.04Å; W167-I193 HydrophobicContact CD2-CG2 4.12Å; W167-I193 HydrophobicContact CE3-CD1 4.21Å; W167-I193 HydrophobicContact CE3-CG1 4.37Å; W167-I193 HydrophobicContact CE3-CG2 3.67Å; W167-I193 HydrophobicContact CH2-CG2 4.17Å; W167-I193 HydrophobicContact CZ3-CG2 3.69Å; W167-H196 AromaticContact CD1-CD2 3.89Å; W167-H196 AromaticContact NE1-CD2 3.53Å; W167-H196 AromaticContact NE1-NE2 3.76Å; W167-L197 HydrophobicContact CH2-CD1 4.26Å; W167-L197 HydrophobicContact CH2-CD2 4.04Å; W167-L197 HydrophobicContact CH2-CG 4.45Å; W167-L197 HydrophobicContact CZ2-CD2 3.6Å; W167-L197 HydrophobicContact CZ2-CG 4.23Å |
| 168 | N | 97.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -72.5 | -38.7 | -176.1 | -72.1 | -33.5 | 0 | 0 | 0 | 113.6 | L164 P165 P173 | L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 PolarHBondContact O-N 3.31Å; L164-N168 PolarHBondContact O-ND2 3.42Å; P165-N168 PolarHBondContact O-N 3.41Å; N168-P173 WeakPolarHBondContact O-CD 3.38Å |
| 169 | E | 98.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 62% | 0.621 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -87 | -34.3 | -172.5 | -66.6 | 165.9 | -159.8 | 0 | 0 | 112.2 | P165 P173 | P165-E169 VanDerWaalsContact O-CB 3.23Å; P165-E169 WeakPolarHBondContact O-CB 3.49Å; P165-E169 VanDerWaalsContact O-CG 3.27Å; P165-E169 WeakPolarHBondContact O-CG 3.29Å; P165-E169 PolarHBondContact O-N 3.28Å; E169-P173 WeakPolarHBondContact O-CG 3.44Å |
| 170 | E | 98.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -110.8 | -48.4 | -174 | -61.3 | -62.7 | 151.5 | 0 | 0 | 112.7 | Y56 F166 Q174 | Y56-E170 PolarHBondContact OH-O 3.2Å; F166-E170 HydrophobicContact CD2-CB 4.06Å; F166-E170 HydrophobicContact CD2-CG 3.7Å; F166-E170 HydrophobicContact CE1-CB 4.5Å; F166-E170 HydrophobicContact CE2-CB 3.84Å; F166-E170 HydrophobicContact CE2-CG 3.59Å; F166-E170 HydrophobicContact CZ-CB 4.06Å; F166-E170 HydrophobicContact CZ-CG 4.31Å; F166-E170 WeakPolarHBondContact O-CB 3.3Å; F166-E170 PolarHBondContact O-N 2.92Å; E170-Q174 WeakPolarHBondContact O-CG 3.41Å |
| 171 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -80.3 | -48.6 | -171 | -55.4 | -176.3 | 0 | 0 | 0 | 111.5 | Y56 F166 W167 Q174 I175 V181 I183 | Y56-I171 HydrophobicContact CD1-CD1 4.5Å; Y56-I171 HydrophobicContact CD1-CG1 4.21Å; Y56-I171 HydrophobicContact CD2-CD1 4.19Å; Y56-I171 HydrophobicContact CD2-CG1 4.01Å; Y56-I171 HydrophobicContact CE1-CG1 4.11Å; Y56-I171 HydrophobicContact CE2-CB 4.37Å; Y56-I171 HydrophobicContact CE2-CG1 3.89Å; Y56-I171 HydrophobicContact CE2-CG2 4.22Å; Y56-I171 HydrophobicContact CG-CD1 4.15Å; Y56-I171 HydrophobicContact CG-CG1 4.16Å; F166-I171 HydrophobicContact CD1-CD1 3.9Å; F166-I171 HydrophobicContact CD1-CG1 4.09Å; F166-I171 HydrophobicContact CE1-CD1 3.82Å; F166-I171 HydrophobicContact CE1-CG1 3.88Å; F166-I171 PolarHBondContact O-N 3Å; W167-I171 HydrophobicContact CE3-CB 4.04Å; W167-I171 HydrophobicContact CE3-CD1 4.05Å; W167-I171 HydrophobicContact CE3-CG2 3.84Å; W167-I171 HydrophobicContact CZ3-CB 4.44Å; W167-I171 HydrophobicContact CZ3-CG2 3.74Å; W167-I171 WeakPolarHBondContact O-CB 3.3Å; W167-I171 PolarHBondContact O-N 3.24Å; I171-Q174 WeakPolarHBondContact O-CB 3.45Å; I171-Q174 PolarHBondContact O-N 3.08Å; I171-Q174 VanDerWaalsContact O-N 3.08Å; I171-I175 HydrophobicContact CG2-CD1 3.86Å; I171-I175 HydrophobicContact CG2-CG1 4.27Å; I171-I175 PolarHBondContact O-N 2.92Å; I171-I175 VanDerWaalsContact O-N 3.1Å; I171-V181 HydrophobicContact CG2-CG1 4.15Å; I171-I183 HydrophobicContact CD1-CD1 3.75Å; I171-I183 HydrophobicContact CD1-CG1 4.44Å; I171-I183 HydrophobicContact CG2-CD1 4.3Å |
| 172 | V | 97.7 | Very high | 97.7 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55 | -45.4 | -178 | 158.4 | 0 | 0 | 0 | 0 | 112.7 | W167 Q174 I175 K176 L224 | W167-V172 HydrophobicContact CD2-CG2 4.26Å; W167-V172 HydrophobicContact CG-CG2 4.36Å; W167-V172 HydrophobicContact CZ2-CG2 4.02Å; W167-V172 WeakPolarHBondContact O-CB 3.05Å; W167-V172 VanDerWaalsContact O-CG2 3.31Å; W167-V172 WeakPolarHBondContact O-CG2 3.29Å; W167-V172 PolarHBondContact O-N 3.15Å; V172-Q174 VanDerWaalsContact C-N 3.31Å; V172-Q174 PolarHBondContact O-N 3.43Å; V172-I175 PolarHBondContact O-N 3.33Å; V172-K176 HydrophobicContact CG1-CD 4.13Å; V172-K176 PolarHBondContact O-N 3.01Å; V172-L224 HydrophobicContact CB-CD1 4.03Å; V172-L224 HydrophobicContact CG1-CD1 3.63Å; V172-L224 HydrophobicContact CG2-CD1 3.68Å |
| 173 | P | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 176.5 | -27 | 37.5 | 0 | 0 | 0 | 113.2 | N168 E169 K176 A177 | N168-P173 WeakPolarHBondContact O-CD 3.38Å; E169-P173 WeakPolarHBondContact O-CG 3.44Å; P173-K176 PolarHBondContact O-N 2.94Å; P173-A177 VanDerWaalsContact O-CB 3.32Å; P173-A177 WeakPolarHBondContact O-CB 3.2Å; P173-A177 PolarHBondContact O-N 3.18Å |
| 174 | Q | 98.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.9 | -56.1 | -55 | -40.8 | 0 | 0 | 111.5 | I54 Y56 E170 I171 V172 A177 G178 K179 V181 | I54-Q174 HydrophobicContact CD1-CG 4.3Å; I54-Q174 HydrophobicContact CG2-CB 4.28Å; I54-Q174 HydrophobicContact CG2-CG 4.41Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.37Å; E170-Q174 WeakPolarHBondContact O-CG 3.41Å; I171-Q174 WeakPolarHBondContact O-CB 3.45Å; I171-Q174 PolarHBondContact O-N 3.08Å; I171-Q174 VanDerWaalsContact O-N 3.08Å; V172-Q174 VanDerWaalsContact C-N 3.31Å; V172-Q174 PolarHBondContact O-N 3.43Å; Q174-A177 PolarHBondContact O-N 2.89Å; Q174-G178 PolarHBondContact O-N 3.32Å; Q174-K179 HydrophobicContact CB-CB 4.3Å; Q174-K179 HydrophobicContact CB-CD 4.26Å; Q174-K179 WeakPolarHBondContact O-CB 3.33Å; Q174-K179 PolarHBondContact O-N 3.03Å; Q174-V181 HydrophobicContact CB-CG2 4.32Å |
| 175 | I | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.4 | -60.7 | 174 | 0 | 0 | 0 | 109.8 | H4 L6 W167 I171 V172 A177 G178 V181 L224 | H4-I175 HydrophobicContact CB-CG2 3.53Å; H4-I175 PolarHBondContact CE1-O 3.03Å; H4-I175 PolarHBondContact ND1-O 3.2Å; L6-I175 HydrophobicContact CD1-CD1 4.45Å; W167-I175 HydrophobicContact CH2-CD1 3.68Å; W167-I175 HydrophobicContact CZ2-CD1 4.36Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; I171-I175 HydrophobicContact CG2-CD1 3.86Å; I171-I175 HydrophobicContact CG2-CG1 4.27Å; I171-I175 PolarHBondContact O-N 2.92Å; I171-I175 VanDerWaalsContact O-N 3.1Å; V172-I175 PolarHBondContact O-N 3.33Å; I175-A177 VanDerWaalsContact C-N 3.25Å; I175-A177 PolarHBondContact O-N 3.2Å; I175-G178 WeakPolarHBondContact O-CA 3.21Å; I175-G178 PolarHBondContact O-N 3.14Å; I175-V181 HydrophobicContact CG1-CB 4.35Å; I175-V181 HydrophobicContact CG1-CG2 3.69Å; I175-L224 HydrophobicContact CB-CD2 4.31Å; I175-L224 HydrophobicContact CG2-CD2 3.54Å |
| 176 | K | 96.4 | Very high | 98 | Very high | 126 Ų | 126 | 40 Ų | 40 | 55% | 0.548 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -29.8 | 178 | -74.6 | -175.7 | 173.7 | -179 | 0 | 113.2 | V172 P173 G178 L224 | V172-K176 HydrophobicContact CG1-CD 4.13Å; V172-K176 PolarHBondContact O-N 3.01Å; P173-K176 PolarHBondContact O-N 2.94Å; K176-G178 PolarHBondContact O-N 2.96Å; K176-L224 HydrophobicContact CG-CD1 4.27Å; K176-L224 HydrophobicContact CG-CD2 4.4Å; K176-L224 HydrophobicContact CG-CG 4.48Å |
| 177 | A | 96.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 62% | 0.62 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P173 Q174 I175 | P173-A177 VanDerWaalsContact O-CB 3.32Å; P173-A177 WeakPolarHBondContact O-CB 3.2Å; P173-A177 PolarHBondContact O-N 3.18Å; Q174-A177 PolarHBondContact O-N 2.89Å; I175-A177 VanDerWaalsContact C-N 3.25Å; I175-A177 PolarHBondContact O-N 3.2Å |
| 178 | G | 96.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 50% | 0.495 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 4.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q174 I175 K176 | Q174-G178 PolarHBondContact O-N 3.32Å; I175-G178 WeakPolarHBondContact O-CA 3.21Å; I175-G178 PolarHBondContact O-N 3.14Å; K176-G178 PolarHBondContact O-N 2.96Å |
| 179 | K | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | trans | -71.3 | 140.7 | 177.7 | -63.7 | -166.9 | -173.5 | 173.1 | 0 | 111.4 | D53 I54 Q174 | D53-K179 HydrophobicContact CB-CB 4.02Å; D53-K179 HydrophobicContact CB-CD 4.28Å; D53-K179 HydrophobicContact CB-CG 4.17Å; I54-K179 HydrophobicContact CG2-CB 4.44Å; I54-K179 HydrophobicContact CG2-CD 4.28Å; Q174-K179 HydrophobicContact CB-CB 4.3Å; Q174-K179 HydrophobicContact CB-CD 4.26Å; Q174-K179 WeakPolarHBondContact O-CB 3.33Å; Q174-K179 PolarHBondContact O-N 3.03Å | ||
| 180 | R | 98.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 28% | 0.275 | 17% | 0.165 | S | C | . | . | trans | -85.7 | 111.5 | 173.5 | -59.5 | 165.1 | -63.7 | 178 | 13.6 | 108 | E51 F52 D53 | E51-R180 VanDerWaalsContact CB-CZ 3.42Å; E51-R180 WeakPolarHBondContact O-CB 3.45Å; E51-R180 WeakPolarHBondContact O-CD 3.29Å; E51-R180 PolarHBondContact O-NE 2.73Å; E51-R180 IonicContact OE2-CZ 2.77Å; E51-R180 IonicContact OE2-NH1 2.85Å; E51-R180 PolarHBondContact OE2-NH1 3.1Å; E51-R180 IonicContact OE2-NH2 3.51Å; E51-R180 PolarHBondContact OE2-NH2 3.33Å; F52-R180 WeakPolarHBondContact CA-O 3.41Å; D53-R180 PolarHBondContact N-O 3.11Å; D53-R180 IonicContact OD1-CZ 3.58Å; D53-R180 IonicContact OD1-NE 3.44Å; D53-R180 PolarHBondContact OD1-NE 3.5Å; D53-R180 IonicContact OD1-NH2 2.81Å; D53-R180 PolarHBondContact OD1-NH2 3.25Å; D53-R180 VanDerWaalsContact OD2-CB 3.31Å; D53-R180 WeakPolarHBondContact OD2-CB 3.47Å; D53-R180 WeakPolarHBondContact OD2-CG 3.44Å; D53-R180 IonicContact OD2-CZ 3.8Å; D53-R180 PolarHBondContact OD2-N 3.29Å; D53-R180 IonicContact OD2-NE 3.23Å; D53-R180 PolarHBondContact OD2-NE 3.3Å; D53-R180 IonicContact OD2-NH2 3.43Å | ||
| 181 | V | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.3 | -170.2 | 179 | 0 | 0 | 0 | 0 | 111 | L6 V7 I54 Y56 I171 Q174 I175 I183 | L6-V181 HydrophobicContact CD1-CB 3.87Å; L6-V181 HydrophobicContact CD1-CG1 3.86Å; V7-V181 PolarHBondContact N-O 2.98Å; I54-V181 HydrophobicContact CG2-CG2 3.82Å; Y56-V181 HydrophobicContact CD2-CG1 3.58Å; Y56-V181 HydrophobicContact CE2-CG1 3.72Å; I171-V181 HydrophobicContact CG2-CG1 4.15Å; Q174-V181 HydrophobicContact CB-CG2 4.32Å; I175-V181 HydrophobicContact CG1-CB 4.35Å; I175-V181 HydrophobicContact CG1-CG2 3.69Å; V181-I183 HydrophobicContact CG1-CG1 3.98Å |
| 182 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.6 | 167.4 | 176 | 61.3 | 0 | 0 | 0 | 110.6 | V7 V9 F52 I54 C55 Y56 L67 I70 L71 | V7-L182 HydrophobicContact CB-CD1 3.97Å; V7-L182 HydrophobicContact CG1-CD1 3.72Å; V7-L182 CarbonylContact O-C 3.55Å; V7-L182 WeakPolarHBondContact O-CA 3.32Å; V9-L182 HydrophobicContact CG2-CD1 4.14Å; F52-L182 HydrophobicContact CB-CB 4.5Å; F52-L182 HydrophobicContact CD1-CB 3.76Å; F52-L182 HydrophobicContact CD2-CB 4.19Å; F52-L182 HydrophobicContact CD2-CD2 4.08Å; F52-L182 HydrophobicContact CE1-CB 3.96Å; F52-L182 HydrophobicContact CE1-CD1 4.47Å; F52-L182 HydrophobicContact CE2-CB 4.34Å; F52-L182 HydrophobicContact CE2-CD2 3.95Å; F52-L182 HydrophobicContact CG-CB 3.88Å; F52-L182 HydrophobicContact CZ-CB 4.24Å; F52-L182 HydrophobicContact CZ-CD1 4.19Å; F52-L182 HydrophobicContact CZ-CD2 4.39Å; I54-L182 PolarHBondContact O-N 3.05Å; I54-L182 VanDerWaalsContact O-N 3.12Å; C55-L182 CarbonylContact C-O 3.52Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 3.33Å; Y56-L182 PolarHBondContact N-O 2.97Å; L67-L182 HydrophobicContact CD1-CD2 3.47Å; L67-L182 VanDerWaalsContact CD1-CD2 3.47Å; L67-L182 HydrophobicContact CD1-CG 4.04Å; I70-L182 HydrophobicContact CG2-CD2 3.71Å; L71-L182 HydrophobicContact CD2-CD2 4.48Å |
| 183 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.6 | 174.5 | -50.5 | 177.6 | 0 | 0 | 0 | 109.5 | L6 V7 M8 V9 Y56 L87 W167 I171 V181 A185 L190 I193 | L6-I183 HydrophobicContact CD1-CD1 3.82Å; L6-I183 HydrophobicContact CD1-CG1 4Å; V7-I183 PolarHBondContact O-N 3.17Å; M8-I183 CarbonylContact C-O 3.59Å; M8-I183 VanDerWaalsContact CA-O 3.29Å; M8-I183 WeakPolarHBondContact CA-O 3.15Å; M8-I183 HydrophobicContact CG-CB 4.15Å; M8-I183 HydrophobicContact CG-CD1 4.19Å; M8-I183 HydrophobicContact CG-CG1 4.44Å; M8-I183 HydrophobicContact SD-CD1 4.32Å; V9-I183 PolarHBondContact N-O 3.39Å; Y56-I183 HydrophobicContact CD2-CG1 4.46Å; Y56-I183 CarbonylContact O-C 3.58Å; Y56-I183 WeakPolarHBondContact O-CA 3.39Å; L87-I183 HydrophobicContact CD1-CG2 4.13Å; W167-I183 HydrophobicContact CE3-CD1 4.39Å; W167-I183 HydrophobicContact CZ3-CD1 4.04Å; I171-I183 HydrophobicContact CD1-CD1 3.75Å; I171-I183 HydrophobicContact CD1-CG1 4.44Å; I171-I183 HydrophobicContact CG2-CD1 4.3Å; V181-I183 HydrophobicContact CG1-CG1 3.98Å; I183-A185 HydrophobicContact CG2-CB 4.2Å; I183-L190 HydrophobicContact CG2-CD2 4.08Å; I183-I193 HydrophobicContact CD1-CD1 4.26Å |
| 184 | A | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 110.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V9 Y56 T57 L67 | V9-A184 WeakPolarHBondContact O-CA 3.45Å; Y56-A184 PolarHBondContact O-N 2.88Å; T57-A184 VanDerWaalsContact CA-O 3.23Å; T57-A184 WeakPolarHBondContact CA-O 3.43Å; T57-A184 VanDerWaalsContact CB-O 3.27Å; T57-A184 WeakPolarHBondContact CB-O 3.07Å; T57-A184 PolarHBondContact OG1-O 3.08Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.31Å; L67-A184 HydrophobicContact CG-CB 4.47Å |
| 185 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -147 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | V9 R10 H11 I183 L190 | V9-A185 PolarHBondContact O-N 3.49Å; R10-A185 WeakPolarHBondContact CA-O 3.42Å; H11-A185 PolarHBondContact CD2-O 2.97Å; H11-A185 PolarHBondContact N-O 3.41Å; I183-A185 HydrophobicContact CG2-CB 4.2Å; A185-L190 HydrophobicContact CB-CD1 4.43Å; A185-L190 HydrophobicContact CB-CD2 3.86Å; A185-L190 HydrophobicContact CB-CG 3.95Å |
| 186 | H | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -121.3 | 171.9 | -170.1 | -53.1 | -88.2 | 0 | 0 | 0 | 112.4 | H11 S58 R62 L87 E89 S189 L190 | H11-H186 AromaticContact CD2-CE1 3.6Å; H11-H186 AromaticContact CD2-CG 3.82Å; H11-H186 AromaticContact CD2-ND1 2.99Å; H11-H186 PolarHBondContact CD2-ND1 3.47Å; H11-H186 AromaticContact NE2-CE1 3.82Å; H11-H186 AromaticContact NE2-CG 3.99Å; H11-H186 AromaticContact NE2-ND1 3Å; H11-H186 PolarHBondContact NE2-ND1 3.16Å; S58-H186 WeakPolarHBondContact CB-NE2 3.16Å; S58-H186 PolarHBondContact OG-NE2 2.78Å; R62-H186 PolarHBondContact NE-CE1 2.96Å; R62-H186 PolarHBondContact NE-ND1 2.89Å; L87-H186 PolarHBondContact O-CD2 3.19Å; L87-H186 VanDerWaalsContact O-CD2 3.28Å; E89-H186 HydrophobicContact CB-CB 3.69Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 3.36Å; E89-H186 WeakPolarHBondContact OE2-CB 3.31Å; H186-S189 PolarHBondContact N-OG 2.85Å; H186-S189 VanDerWaalsContact N-OG 3.16Å; H186-S189 PolarHBondContact O-OG 2.8Å; H186-S189 VanDerWaalsContact O-OG 3.14Å; H186-L190 VanDerWaalsContact O-CB 3.27Å; H186-L190 WeakPolarHBondContact O-CB 3.33Å; H186-L190 WeakPolarHBondContact O-CG 3.28Å; H186-L190 PolarHBondContact O-N 2.97Å | ||
| 187 | G | 93.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.1 | -55 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E89 R191 | E89-G187 PolarHBondContact OE2-N 3.04Å; G187-R191 WeakPolarHBondContact O-CB 3.39Å; G187-R191 VanDerWaalsContact O-CG 3.24Å; G187-R191 WeakPolarHBondContact O-CG 3Å; G187-R191 PolarHBondContact O-N 3.37Å |
| 188 | N | 92.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -79.1 | -30.5 | -173.4 | -57 | -67.8 | 0 | 0 | 0 | 113.3 | E89 R90 Y92 L156 T159 R191 G192 | E89-N188 WeakPolarHBondContact OE1-CB 3.42Å; E89-N188 PolarHBondContact OE1-N 3.17Å; E89-N188 PolarHBondContact OE1-ND2 3.24Å; R90-N188 HydrophobicContact CB-CB 3.86Å; Y92-N188 PolarHBondContact OH-ND2 2.79Å; L156-N188 HydrophobicContact CD1-CB 3.94Å; T159-N188 HydrophobicContact CG2-CB 4.46Å; N188-R191 PolarHBondContact OD1-NH1 2.66Å; N188-G192 PolarHBondContact O-N 3.11Å; N188-G192 VanDerWaalsContact O-N 3.12Å |
| 189 | S | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 173.5 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | L87 N88 H186 G192 I193 | L87-S189 PolarHBondContact O-OG 3.26Å; N88-S189 WeakPolarHBondContact O-CB 3.41Å; H186-S189 PolarHBondContact N-OG 2.85Å; H186-S189 VanDerWaalsContact N-OG 3.16Å; H186-S189 PolarHBondContact O-OG 2.8Å; H186-S189 VanDerWaalsContact O-OG 3.14Å; S189-G192 PolarHBondContact O-N 3.05Å; S189-I193 PolarHBondContact O-N 3.36Å |
| 190 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71 | -38.7 | 177.7 | -68.4 | -179.7 | 0 | 0 | 0 | 112.2 | M8 R10 I183 A185 H186 G192 I193 V194 L210 | M8-L190 HydrophobicContact CB-CD1 4.42Å; M8-L190 HydrophobicContact CB-CD2 4.05Å; M8-L190 HydrophobicContact CG-CD2 4.3Å; M8-L190 HydrophobicContact SD-CD2 3.84Å; R10-L190 HydrophobicContact CB-CD1 4.12Å; I183-L190 HydrophobicContact CG2-CD2 4.08Å; A185-L190 HydrophobicContact CB-CD1 4.43Å; A185-L190 HydrophobicContact CB-CD2 3.86Å; A185-L190 HydrophobicContact CB-CG 3.95Å; H186-L190 VanDerWaalsContact O-CB 3.27Å; H186-L190 WeakPolarHBondContact O-CB 3.33Å; H186-L190 WeakPolarHBondContact O-CG 3.28Å; H186-L190 PolarHBondContact O-N 2.97Å; L190-G192 PolarHBondContact O-N 3.06Å; L190-I193 HydrophobicContact CD2-CD1 4.29Å; L190-I193 PolarHBondContact O-N 3.18Å; L190-I193 VanDerWaalsContact O-N 3.08Å; L190-V194 WeakPolarHBondContact O-CG2 3.22Å; L190-V194 PolarHBondContact O-N 2.89Å; L190-L210 HydrophobicContact CB-CD1 3.53Å |
| 191 | R | 92.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -51.5 | -39.6 | 169 | -82.1 | 171.6 | 174.6 | 168.7 | -8.3 | 111.7 | G187 N188 V194 K195 I205 L208 N209 L210 | G187-R191 WeakPolarHBondContact O-CB 3.39Å; G187-R191 VanDerWaalsContact O-CG 3.24Å; G187-R191 WeakPolarHBondContact O-CG 3Å; G187-R191 PolarHBondContact O-N 3.37Å; N188-R191 PolarHBondContact OD1-NH1 2.66Å; R191-V194 PolarHBondContact O-N 3.25Å; R191-K195 WeakPolarHBondContact O-CB 3.26Å; R191-K195 PolarHBondContact O-N 3.5Å; R191-I205 HydrophobicContact CB-CD1 3.85Å; R191-I205 HydrophobicContact CB-CG1 4.17Å; R191-I205 HydrophobicContact CG-CD1 4.15Å; R191-I205 VanDerWaalsContact O-CD1 3.26Å; R191-I205 WeakPolarHBondContact O-CD1 3.22Å; R191-L208 HydrophobicContact CG-CD2 4.36Å; R191-L208 PolarHBondContact NE-O 3.04Å; R191-L208 PolarHBondContact NH2-O 3.15Å; R191-N209 VanDerWaalsContact NH2-CG 3.29Å; R191-N209 PolarHBondContact NH2-OD1 3.21Å; R191-L210 HydrophobicContact CG-CD1 4.3Å; R191-L210 HydrophobicContact CG-CG 4.44Å |
| 192 | G | 91.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N188 S189 L190 H196 | N188-G192 PolarHBondContact O-N 3.11Å; N188-G192 VanDerWaalsContact O-N 3.12Å; S189-G192 PolarHBondContact O-N 3.05Å; L190-G192 PolarHBondContact O-N 3.06Å; G192-H196 PolarHBondContact O-N 2.81Å |
| 193 | I | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 175.8 | -61.3 | 172.6 | 0 | 0 | 0 | 110.2 | M8 L87 W167 I183 S189 L190 K195 H196 L197 | M8-I193 HydrophobicContact CE-CG2 4.38Å; M8-I193 HydrophobicContact SD-CB 4.25Å; M8-I193 HydrophobicContact SD-CD1 4.43Å; M8-I193 HydrophobicContact SD-CG2 3.79Å; L87-I193 HydrophobicContact CD2-CD1 4.15Å; W167-I193 HydrophobicContact CD2-CG2 4.12Å; W167-I193 HydrophobicContact CE3-CD1 4.21Å; W167-I193 HydrophobicContact CE3-CG1 4.37Å; W167-I193 HydrophobicContact CE3-CG2 3.67Å; W167-I193 HydrophobicContact CH2-CG2 4.17Å; W167-I193 HydrophobicContact CZ3-CG2 3.69Å; I183-I193 HydrophobicContact CD1-CD1 4.26Å; S189-I193 PolarHBondContact O-N 3.36Å; L190-I193 HydrophobicContact CD2-CD1 4.29Å; L190-I193 PolarHBondContact O-N 3.18Å; L190-I193 VanDerWaalsContact O-N 3.08Å; I193-K195 PolarHBondContact O-N 3.4Å; I193-H196 PolarHBondContact O-N 3.19Å; I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.25Å; I193-L197 WeakPolarHBondContact O-CG 3.29Å; I193-L197 PolarHBondContact O-N 3.2Å |
| 194 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | M8 L190 R191 H196 L197 E198 M200 L208 Y218 M230 | M8-V194 HydrophobicContact CE-CG2 3.81Å; L190-V194 WeakPolarHBondContact O-CG2 3.22Å; L190-V194 PolarHBondContact O-N 2.89Å; R191-V194 PolarHBondContact O-N 3.25Å; V194-H196 PolarHBondContact O-N 2.8Å; V194-L197 PolarHBondContact O-N 2.9Å; V194-E198 WeakPolarHBondContact O-CB 3.49Å; V194-E198 PolarHBondContact O-N 3.39Å; V194-M200 HydrophobicContact CG1-SD 3.9Å; V194-L208 HydrophobicContact CB-CD2 4.13Å; V194-L208 HydrophobicContact CG1-CD2 3.53Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.46Å; V194-Y218 HydrophobicContact CG2-CE2 4.32Å; V194-M230 HydrophobicContact CG1-CE 3.88Å |
| 195 | K | 94.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.9 | -42.7 | 177 | -169.5 | -169.2 | -166.6 | -67.4 | 0 | 111.4 | F119 I160 R191 I193 G199 M200 D202 I205 | F119-K195 HydrophobicContact CE2-CD 3.94Å; F119-K195 VanDerWaalsContact CE2-CE 3.48Å; I160-K195 HydrophobicContact CD1-CD 3.78Å; R191-K195 WeakPolarHBondContact O-CB 3.26Å; R191-K195 PolarHBondContact O-N 3.5Å; I193-K195 PolarHBondContact O-N 3.4Å; K195-G199 WeakPolarHBondContact O-CA 3.44Å; K195-G199 PolarHBondContact O-N 3.41Å; K195-M200 HydrophobicContact CG-CB 4.02Å; K195-M200 WeakPolarHBondContact CG-O 3.27Å; K195-M200 PolarHBondContact NZ-O 2.77Å; K195-M200 PolarHBondContact O-N 2.96Å; K195-D202 WeakPolarHBondContact CE-OD1 3.47Å; K195-D202 IonicContact NZ-OD1 2.81Å; K195-D202 PolarHBondContact NZ-OD1 3.3Å; K195-I205 HydrophobicContact CB-CB 4.37Å; K195-I205 HydrophobicContact CB-CD1 3.91Å; K195-I205 HydrophobicContact CB-CG1 3.95Å; K195-I205 HydrophobicContact CD-CB 4.24Å; K195-I205 HydrophobicContact CD-CG1 4.34Å; K195-I205 HydrophobicContact CD-CG2 3.94Å; K195-I205 HydrophobicContact CG-CB 4.11Å; K195-I205 HydrophobicContact CG-CG1 4.2Å; K195-I205 HydrophobicContact CG-CG2 4.34Å |
| 196 | H | 92.6 | Very high | 92.8 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.3 | -46.4 | -180 | 178.2 | 71.6 | 0 | 0 | 0 | 112.4 | L164 W167 G192 I193 V194 E198 G199 | L164-H196 HydrophobicContact CD2-CB 3.65Å; W167-H196 AromaticContact CD1-CD2 3.89Å; W167-H196 AromaticContact NE1-CD2 3.53Å; W167-H196 AromaticContact NE1-NE2 3.76Å; G192-H196 PolarHBondContact O-N 2.81Å; I193-H196 PolarHBondContact O-N 3.19Å; V194-H196 PolarHBondContact O-N 2.8Å; H196-E198 PolarHBondContact O-N 2.72Å; H196-G199 PolarHBondContact O-N 3.22Å |
| 197 | L | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.8 | -75.2 | 175.4 | 0 | 0 | 0 | 112.4 | L6 M8 W167 I193 V194 Y218 L220 L224 P226 | L6-L197 HydrophobicContact CD2-CD1 4.13Å; M8-L197 HydrophobicContact CE-CD1 4.37Å; W167-L197 HydrophobicContact CH2-CD1 4.26Å; W167-L197 HydrophobicContact CH2-CD2 4.04Å; W167-L197 HydrophobicContact CH2-CG 4.45Å; W167-L197 HydrophobicContact CZ2-CD2 3.6Å; W167-L197 HydrophobicContact CZ2-CG 4.23Å; I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.25Å; I193-L197 WeakPolarHBondContact O-CG 3.29Å; I193-L197 PolarHBondContact O-N 3.2Å; V194-L197 PolarHBondContact O-N 2.9Å; L197-Y218 HydrophobicContact CD1-CD2 4.42Å; L197-Y218 HydrophobicContact CD1-CE2 4.45Å; L197-Y218 HydrophobicContact CD1-CG 4.45Å; L197-L220 HydrophobicContact CD2-CD1 4.34Å; L197-L220 HydrophobicContact CD2-CD2 4.15Å; L197-L224 WeakPolarHBondContact CD2-O 3.33Å; L197-P226 HydrophobicContact CB-CG 4.17Å; L197-P226 WeakPolarHBondContact O-CD 3.22Å |
| 198 | E | 93.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -92.6 | -2.3 | -175.3 | -69.9 | -172.2 | -162.3 | 0 | 0 | 113.8 | V194 H196 M200 Y218 P226 M230 | V194-E198 WeakPolarHBondContact O-CB 3.49Å; V194-E198 PolarHBondContact O-N 3.39Å; H196-E198 PolarHBondContact O-N 2.72Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.76Å; E198-M200 HydrophobicContact CB-SD 4.47Å; E198-M200 PolarHBondContact O-N 2.92Å; E198-Y218 HydrophobicContact CG-CE1 4.19Å; E198-Y218 VanDerWaalsContact OE1-CE1 3.31Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.45Å; E198-Y218 PolarHBondContact OE1-OH 2.86Å; E198-P226 HydrophobicContact CG-CG 4.09Å; E198-M230 VanDerWaalsContact OE1-CE 3.32Å; E198-M230 WeakPolarHBondContact OE1-CE 3.45Å |
| 199 | G | 92.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 35.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K195 H196 | K195-G199 WeakPolarHBondContact O-CA 3.44Å; K195-G199 PolarHBondContact O-N 3.41Å; H196-G199 PolarHBondContact O-N 3.22Å |
| 200 | M | 93.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 17% | 0.167 | 24% | 0.235 | C | C | . | . | trans | -69.7 | 144.3 | -174.8 | -59.1 | 178.5 | 77.8 | 0 | 0 | 112.1 | V194 K195 E198 A204 I205 L208 | V194-M200 HydrophobicContact CG1-SD 3.9Å; K195-M200 HydrophobicContact CG-CB 4.02Å; K195-M200 WeakPolarHBondContact CG-O 3.27Å; K195-M200 PolarHBondContact NZ-O 2.77Å; K195-M200 PolarHBondContact O-N 2.96Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.76Å; E198-M200 HydrophobicContact CB-SD 4.47Å; E198-M200 PolarHBondContact O-N 2.92Å; M200-A204 HydrophobicContact CB-CB 4.34Å; M200-A204 HydrophobicContact CE-CB 3.76Å; M200-I205 HydrophobicContact CE-CD1 4.47Å; M200-I205 HydrophobicContact SD-CD1 3.88Å; M200-L208 HydrophobicContact CE-CB 4.3Å; M200-L208 HydrophobicContact SD-CD2 4.25Å | ||
| 201 | S | 94.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | trans | -65.9 | 160.7 | 168.8 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | Q203 A204 I205 | S201-Q203 PolarHBondContact O-N 3.19Å; S201-A204 PolarHBondContact O-N 2.89Å; S201-A204 WeakPolarHBondContact OG-CB 3.43Å; S201-A204 PolarHBondContact OG-N 3.12Å; S201-A204 VanDerWaalsContact OG-N 3.13Å; S201-I205 PolarHBondContact O-N 3.39Å; S201-I205 VanDerWaalsContact O-N 3.15Å | ||
| 202 | D | 91.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 43 Ų | 43 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -34.2 | 177.2 | -62.9 | -6.9 | 0 | 0 | 0 | 110.9 | F119 K195 I205 M206 | F119-D202 HydrophobicContact CB-CB 4.23Å; F119-D202 HydrophobicContact CD1-CB 3.92Å; F119-D202 VanDerWaalsContact CD1-CG 3.47Å; F119-D202 WeakPolarHBondContact CD1-OD2 3.49Å; F119-D202 HydrophobicContact CD2-CB 4.29Å; F119-D202 HydrophobicContact CE1-CB 4.36Å; F119-D202 VanDerWaalsContact CE1-CG 3.44Å; F119-D202 VanDerWaalsContact CE1-OD2 3.27Å; F119-D202 WeakPolarHBondContact CE1-OD2 3.2Å; F119-D202 HydrophobicContact CG-CB 3.88Å; K195-D202 WeakPolarHBondContact CE-OD1 3.47Å; K195-D202 IonicContact NZ-OD1 2.81Å; K195-D202 PolarHBondContact NZ-OD1 3.3Å; D202-I205 VanDerWaalsContact O-CG2 3.23Å; D202-I205 WeakPolarHBondContact O-CG2 3.43Å; D202-M206 VanDerWaalsContact O-CG 3.29Å; D202-M206 WeakPolarHBondContact O-CG 3.37Å |
| 203 | Q | 88.5 | Confident | 91.4 | Very high | 149 Ų | 149 | 43 Ų | 43 | 70% | 0.696 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.2 | -45.2 | 174.8 | -170.2 | 177.3 | 4.3 | 0 | 0 | 112.6 | S201 I205 M206 | S201-Q203 PolarHBondContact O-N 3.19Å; Q203-I205 VanDerWaalsContact C-N 3.32Å; Q203-I205 PolarHBondContact O-N 3.14Å; Q203-M206 HydrophobicContact CB-CE 4.47Å; Q203-M206 PolarHBondContact O-N 2.86Å |
| 204 | A | 89.2 | Confident | 91.5 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -37.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M200 S201 M206 E207 L208 | M200-A204 HydrophobicContact CB-CB 4.34Å; M200-A204 HydrophobicContact CE-CB 3.76Å; S201-A204 PolarHBondContact O-N 2.89Å; S201-A204 WeakPolarHBondContact OG-CB 3.43Å; S201-A204 PolarHBondContact OG-N 3.12Å; S201-A204 VanDerWaalsContact OG-N 3.13Å; A204-M206 VanDerWaalsContact C-N 3.29Å; A204-M206 PolarHBondContact O-N 3.22Å; A204-E207 PolarHBondContact O-N 2.85Å; A204-L208 PolarHBondContact O-N 3.01Å |
| 205 | I | 89.1 | Confident | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.8 | -26.3 | -179.4 | -166.6 | 61.9 | 0 | 0 | 0 | 113.2 | F119 L156 R191 K195 M200 S201 D202 Q203 E207 L208 | F119-I205 HydrophobicContact CD2-CG2 4.13Å; L156-I205 HydrophobicContact CD2-CG1 4.18Å; L156-I205 HydrophobicContact CD2-CG2 4.05Å; R191-I205 HydrophobicContact CB-CD1 3.85Å; R191-I205 HydrophobicContact CB-CG1 4.17Å; R191-I205 HydrophobicContact CG-CD1 4.15Å; R191-I205 VanDerWaalsContact O-CD1 3.26Å; R191-I205 WeakPolarHBondContact O-CD1 3.22Å; K195-I205 HydrophobicContact CB-CB 4.37Å; K195-I205 HydrophobicContact CB-CD1 3.91Å; K195-I205 HydrophobicContact CB-CG1 3.95Å; K195-I205 HydrophobicContact CD-CB 4.24Å; K195-I205 HydrophobicContact CD-CG1 4.34Å; K195-I205 HydrophobicContact CD-CG2 3.94Å; K195-I205 HydrophobicContact CG-CB 4.11Å; K195-I205 HydrophobicContact CG-CG1 4.2Å; K195-I205 HydrophobicContact CG-CG2 4.34Å; M200-I205 HydrophobicContact CE-CD1 4.47Å; M200-I205 HydrophobicContact SD-CD1 3.88Å; S201-I205 PolarHBondContact O-N 3.39Å; S201-I205 VanDerWaalsContact O-N 3.15Å; D202-I205 VanDerWaalsContact O-CG2 3.23Å; D202-I205 WeakPolarHBondContact O-CG2 3.43Å; Q203-I205 VanDerWaalsContact C-N 3.32Å; Q203-I205 PolarHBondContact O-N 3.14Å; I205-E207 PolarHBondContact O-N 3.23Å; I205-L208 HydrophobicContact CD1-CB 4.2Å; I205-L208 HydrophobicContact CD1-CD2 3.69Å; I205-L208 PolarHBondContact O-N 3Å |
| 206 | M | 85.6 | Confident | 91.8 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.4 | -27.2 | 176.6 | -66 | -167.9 | -72.9 | 0 | 0 | 112.6 | R117 F119 D202 Q203 A204 | R117-M206 WeakPolarHBondContact O-CG 3.38Å; F119-M206 HydrophobicContact CB-SD 4.38Å; D202-M206 VanDerWaalsContact O-CG 3.29Å; D202-M206 WeakPolarHBondContact O-CG 3.37Å; Q203-M206 HydrophobicContact CB-CE 4.47Å; Q203-M206 PolarHBondContact O-N 2.86Å; A204-M206 VanDerWaalsContact C-N 3.29Å; A204-M206 PolarHBondContact O-N 3.22Å |
| 207 | E | 85.6 | Confident | 92.1 | Very high | 117 Ų | 117 | 37.4 Ų | 37.4 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -90.8 | -22.6 | 179.9 | -63.3 | -52.6 | 143.8 | 0 | 0 | 113.3 | R117 A204 I205 N209 | R117-E207 IonicContact NH1-OE1 3.04Å; R117-E207 IonicContact NH1-OE2 3.33Å; R117-E207 PolarHBondContact NH1-OE2 3Å; R117-E207 VanDerWaalsContact NH1-OE2 3.12Å; A204-E207 PolarHBondContact O-N 2.85Å; I205-E207 PolarHBondContact O-N 3.23Å; E207-N209 PolarHBondContact O-N 3.42Å; E207-N209 PolarHBondContact O-ND2 2.87Å |
| 208 | L | 87.3 | Confident | 92.3 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | trans | -64.3 | 120.1 | 176.7 | 179.1 | 67.6 | 0 | 0 | 0 | 110.2 | R191 V194 M200 A204 I205 L210 M230 | R191-L208 HydrophobicContact CG-CD2 4.36Å; R191-L208 PolarHBondContact NE-O 3.04Å; R191-L208 PolarHBondContact NH2-O 3.15Å; V194-L208 HydrophobicContact CB-CD2 4.13Å; V194-L208 HydrophobicContact CG1-CD2 3.53Å; M200-L208 HydrophobicContact CE-CB 4.3Å; M200-L208 HydrophobicContact SD-CD2 4.25Å; A204-L208 PolarHBondContact O-N 3.01Å; I205-L208 HydrophobicContact CD1-CB 4.2Å; I205-L208 HydrophobicContact CD1-CD2 3.69Å; I205-L208 PolarHBondContact O-N 3Å; L208-L210 HydrophobicContact CD1-CD2 4.22Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CG-CD2 4.14Å; L208-M230 HydrophobicContact CD1-CE 4.22Å | ||
| 209 | N | 85.1 | Confident | 92.4 | Very high | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | trans | -114 | 131 | 169.9 | -69.8 | -82.9 | 0 | 0 | 0 | 108.5 | R191 E207 V246 | R191-N209 VanDerWaalsContact NH2-CG 3.29Å; R191-N209 PolarHBondContact NH2-OD1 3.21Å; E207-N209 PolarHBondContact O-N 3.42Å; E207-N209 PolarHBondContact O-ND2 2.87Å; N209-V246 HydrophobicContact CB-CB 4.19Å; N209-V246 HydrophobicContact CB-CG1 3.35Å; N209-V246 HydrophobicContact CB-CG2 4.32Å; N209-V246 WeakPolarHBondContact O-CG1 2.97Å | ||
| 210 | L | 90.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 126.3 | 178.6 | -61.9 | 179.4 | 0 | 0 | 0 | 109.4 | R10 L190 R191 L208 I216 M230 | R10-L210 WeakPolarHBondContact CD-O 3.41Å; R10-L210 PolarHBondContact NH1-O 3.16Å; L190-L210 HydrophobicContact CB-CD1 3.53Å; R191-L210 HydrophobicContact CG-CD1 4.3Å; R191-L210 HydrophobicContact CG-CG 4.44Å; L208-L210 HydrophobicContact CD1-CD2 4.22Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CG-CD2 4.14Å; L210-I216 HydrophobicContact CB-CD1 4.44Å; L210-I216 HydrophobicContact CD1-CD1 4.26Å; L210-I216 HydrophobicContact CD2-CD1 3.81Å; L210-I216 HydrophobicContact CG-CD1 4.39Å; L210-M230 HydrophobicContact CD2-SD 4.36Å |
| 211 | P | 92.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 153.1 | 178.7 | 26.9 | -34.2 | 0 | 0 | 0 | 111.8 | R10 I214 F232 A242 V246 | R10-P211 WeakPolarHBondContact CB-O 3.34Å; P211-I214 HydrophobicContact CB-CB 4.34Å; P211-I214 HydrophobicContact CB-CD1 4.04Å; P211-I214 HydrophobicContact CB-CG1 4.33Å; P211-I214 HydrophobicContact CG-CB 4.01Å; P211-I214 HydrophobicContact CG-CD1 4.22Å; P211-I214 HydrophobicContact CG-CG1 4.46Å; P211-I214 HydrophobicContact CG-CG2 4.43Å; P211-F232 HydrophobicContact CG-CD1 4.01Å; P211-F232 HydrophobicContact CG-CE1 3.72Å; P211-F232 HydrophobicContact CG-CZ 4.4Å; P211-A242 HydrophobicContact CB-CB 3.82Å; P211-V246 HydrophobicContact CB-CG2 3.94Å |
| 212 | T | 94.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 36 Ų | 36 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.8 | 138.9 | 175.9 | 48.1 | 0 | 0 | 0 | 0 | 111 | R10 H11 E37 I214 | R10-T212 HydrophobicContact CG-CG2 4.41Å; R10-T212 VanDerWaalsContact CZ-CG2 3.45Å; H11-T212 WeakPolarHBondContact O-CB 3.2Å; H11-T212 WeakPolarHBondContact O-CG2 3.32Å; E37-T212 PolarHBondContact OE1-OG1 3.1Å; E37-T212 WeakPolarHBondContact OE2-CB 3.36Å; E37-T212 PolarHBondContact OE2-OG1 3.24Å; E37-T212 VanDerWaalsContact OE2-OG1 3.05Å; T212-I214 PolarHBondContact O-N 2.77Å |
| 213 | G | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 67.7 | 0 | 173 | 0 | 0 | 0 | 0 | 0 | 116.8 | R10 | R10-G213 WeakPolarHBondContact O-CA 3.43Å; R10-G213 PolarHBondContact O-N 3.01Å |
| 214 | I | 97.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -93.4 | 122.2 | 177.1 | -63.3 | -171 | 0 | 0 | 0 | 109.6 | P211 T212 F232 T238 A242 | P211-I214 HydrophobicContact CB-CB 4.34Å; P211-I214 HydrophobicContact CB-CD1 4.04Å; P211-I214 HydrophobicContact CB-CG1 4.33Å; P211-I214 HydrophobicContact CG-CB 4.01Å; P211-I214 HydrophobicContact CG-CD1 4.22Å; P211-I214 HydrophobicContact CG-CG1 4.46Å; P211-I214 HydrophobicContact CG-CG2 4.43Å; T212-I214 PolarHBondContact O-N 2.77Å; I214-F232 HydrophobicContact CG2-CB 3.75Å; I214-F232 HydrophobicContact CG2-CD1 3.82Å; I214-F232 HydrophobicContact CG2-CG 4.18Å; I214-T238 HydrophobicContact CD1-CG2 4.15Å; I214-A242 HydrophobicContact CD1-CB 3.18Å; I214-A242 HydrophobicContact CG1-CB 4.38Å | ||
| 215 | P | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134.3 | 172.9 | -15.7 | 27.9 | 0 | 0 | 0 | 112.4 | V7 V9 I45 F232 L233 | V7-P215 HydrophobicContact CG1-CB 3.93Å; V9-P215 HydrophobicContact CG2-CB 3.82Å; V9-P215 HydrophobicContact CG2-CG 4.13Å; I45-P215 HydrophobicContact CD1-CB 4.07Å; I45-P215 HydrophobicContact CD1-CG 3.78Å; I45-P215 HydrophobicContact CG1-CB 4.03Å; I45-P215 HydrophobicContact CG1-CG 3.72Å; P215-F232 WeakPolarHBondContact O-CA 3.46Å; P215-L233 HydrophobicContact CB-CB 4.09Å; P215-L233 HydrophobicContact CB-CD1 4.11Å; P215-L233 HydrophobicContact CB-CG 4.36Å; P215-L233 HydrophobicContact CG-CB 4.24Å; P215-L233 PolarHBondContact O-N 2.95Å |
| 216 | I | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.4 | 179.2 | -51.3 | 170.2 | 0 | 0 | 0 | 107.5 | V7 M8 L210 Y218 M230 Q231 F232 | V7-I216 CarbonylContact C-O 3.53Å; V7-I216 VanDerWaalsContact CA-O 3.32Å; V7-I216 WeakPolarHBondContact CA-O 3.46Å; M8-I216 PolarHBondContact N-O 2.9Å; M8-I216 WeakPolarHBondContact O-CA 3.35Å; M8-I216 WeakPolarHBondContact O-CB 3.46Å; M8-I216 PolarHBondContact O-N 3.48Å; L210-I216 HydrophobicContact CB-CD1 4.44Å; L210-I216 HydrophobicContact CD1-CD1 4.26Å; L210-I216 HydrophobicContact CD2-CD1 3.81Å; L210-I216 HydrophobicContact CG-CD1 4.39Å; I216-Y218 HydrophobicContact CG2-CD2 4.31Å; I216-Y218 HydrophobicContact CG2-CE2 3.95Å; I216-M230 HydrophobicContact CG2-CB 3.8Å; I216-M230 HydrophobicContact CG2-CG 4.04Å; I216-M230 HydrophobicContact CG2-SD 3.78Å; I216-Q231 CarbonylContact C-O 3.58Å; I216-Q231 WeakPolarHBondContact CA-O 3.29Å; I216-F232 HydrophobicContact CD1-CE1 4.17Å; I216-F232 HydrophobicContact CG1-CD1 3.9Å; I216-F232 HydrophobicContact CG1-CE1 3.75Å |
| 217 | V | 97.8 | Very high | 94 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.8 | -177 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | R5 V7 M50 Q231 L233 | R5-V217 HydrophobicContact CG-CG1 3.92Å; V7-V217 HydrophobicContact CG2-CG2 4.23Å; M50-V217 HydrophobicContact CE-CG1 4.22Å; M50-V217 HydrophobicContact CE-CG2 3.83Å; M50-V217 HydrophobicContact SD-CG2 4.27Å; V217-Q231 HydrophobicContact CB-CB 4.39Å; V217-Q231 PolarHBondContact N-O 3.03Å; V217-Q231 PolarHBondContact O-N 3.21Å; V217-L233 HydrophobicContact CG2-CD1 3.57Å; V217-L233 HydrophobicContact CG2-CD2 3.87Å; V217-L233 HydrophobicContact CG2-CG 3.49Å; V217-L233 VanDerWaalsContact CG2-CG 3.49Å |
| 218 | Y | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.9 | 167.4 | -82.8 | -86.6 | 0 | 0 | 0 | 110.5 | R5 L6 M8 V194 L197 E198 I216 L220 P226 M230 | R5-Y218 WeakPolarHBondContact CA-O 3.32Å; L6-Y218 PolarHBondContact N-O 3.25Å; L6-Y218 PolarHBondContact O-N 3.46Å; M8-Y218 HydrophobicContact CE-CD2 3.65Å; M8-Y218 HydrophobicContact CE-CE2 3.36Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.46Å; V194-Y218 HydrophobicContact CG2-CE2 4.32Å; L197-Y218 HydrophobicContact CD1-CD2 4.42Å; L197-Y218 HydrophobicContact CD1-CE2 4.45Å; L197-Y218 HydrophobicContact CD1-CG 4.45Å; E198-Y218 HydrophobicContact CG-CE1 4.19Å; E198-Y218 VanDerWaalsContact OE1-CE1 3.31Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.45Å; E198-Y218 PolarHBondContact OE1-OH 2.86Å; I216-Y218 HydrophobicContact CG2-CD2 4.31Å; I216-Y218 HydrophobicContact CG2-CE2 3.95Å; Y218-L220 HydrophobicContact CD1-CD2 4.21Å; Y218-L220 HydrophobicContact CG-CD2 4.4Å; Y218-P226 HydrophobicContact CD1-CB 3.99Å; Y218-P226 HydrophobicContact CD1-CG 3.78Å; Y218-P226 HydrophobicContact CE1-CB 4.17Å; Y218-P226 HydrophobicContact CE1-CG 3.78Å; Y218-M230 HydrophobicContact CD1-CB 4.5Å; Y218-M230 HydrophobicContact CD2-CB 4.43Å; Y218-M230 HydrophobicContact CE1-CB 3.89Å; Y218-M230 HydrophobicContact CE2-CB 3.81Å; Y218-M230 VanDerWaalsContact OH-CE 3.24Å; Y218-M230 WeakPolarHBondContact OH-CE 3.26Å |
| 219 | E | 96.4 | Very high | 94.6 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.8 | 161.3 | -80.4 | -179.6 | -162 | 0 | 0 | 108.5 | T3 H4 P226 T227 K228 | T3-E219 HydrophobicContact CG2-CB 3.58Å; T3-E219 HydrophobicContact CG2-CG 3.83Å; H4-E219 WeakPolarHBondContact O-CA 3.35Å; E219-P226 CarbonylContact O-C 3.57Å; E219-P226 VanDerWaalsContact O-CA 3.31Å; E219-P226 WeakPolarHBondContact O-CA 3.21Å; E219-T227 WeakPolarHBondContact CB-OG1 3.46Å; E219-T227 PolarHBondContact O-N 3.34Å; E219-T227 PolarHBondContact O-OG1 2.9Å; E219-K228 HydrophobicContact CB-CG 4.36Å; E219-K228 WeakPolarHBondContact OE1-CE 3.31Å; E219-K228 IonicContact OE1-NZ 2.6Å; E219-K228 PolarHBondContact OE1-NZ 3.11Å; E219-K228 WeakPolarHBondContact OE2-CE 3.38Å; E219-K228 IonicContact OE2-NZ 3Å; E219-K228 PolarHBondContact OE2-NZ 3.33Å |
| 220 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139 | -172.3 | -53.8 | 177.5 | 0 | 0 | 0 | 110.1 | T3 H4 L6 L197 Y218 L224 K225 P226 | T3-L220 CarbonylContact C-O 3.53Å; T3-L220 WeakPolarHBondContact CA-O 3.35Å; H4-L220 HydrophobicContact CB-CB 4.36Å; H4-L220 PolarHBondContact N-O 3.35Å; H4-L220 PolarHBondContact O-N 2.82Å; L6-L220 HydrophobicContact CB-CD1 4.3Å; L6-L220 HydrophobicContact CD2-CD1 4.5Å; L197-L220 HydrophobicContact CD2-CD1 4.34Å; L197-L220 HydrophobicContact CD2-CD2 4.15Å; Y218-L220 HydrophobicContact CD1-CD2 4.21Å; Y218-L220 HydrophobicContact CG-CD2 4.4Å; L220-L224 HydrophobicContact CB-CD2 4.49Å; L220-L224 HydrophobicContact CD1-CD2 4.4Å; L220-K225 CarbonylContact C-O 3.53Å; L220-K225 WeakPolarHBondContact CA-O 3.48Å; L220-P226 HydrophobicContact CD2-CB 4.43Å; L220-P226 HydrophobicContact CD2-CG 4.01Å |
| 221 | N | 95.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | trans | -75.7 | -176.2 | 170.8 | 71.8 | 5.2 | 0 | 0 | 0 | 111.5 | E223 L224 K225 T227 | N221-E223 PolarHBondContact ND2-OE2 3.3Å; N221-E223 PolarHBondContact O-N 3.31Å; N221-E223 WeakPolarHBondContact OD1-CA 3.37Å; N221-E223 PolarHBondContact OD1-N 3.17Å; N221-E223 PolarHBondContact OD1-OE2 3.28Å; N221-L224 WeakPolarHBondContact O-CA 3.4Å; N221-L224 PolarHBondContact O-N 3.12Å; N221-L224 PolarHBondContact OD1-N 3.48Å; N221-L224 VanDerWaalsContact OD1-N 3.14Å; N221-K225 PolarHBondContact N-O 3.32Å; N221-K225 PolarHBondContact OD1-N 3.42Å; N221-K225 PolarHBondContact OD1-O 2.89Å; N221-T227 HydrophobicContact CB-CG2 3.86Å | ||
| 222 | K | 93.3 | Very high | 95.3 | Very high | 133 Ų | 133 | 47.4 Ų | 47.4 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.3 | -179.7 | -68.3 | -178.6 | 176.3 | -175.6 | 0 | 113.3 | L224 | K222-L224 PolarHBondContact O-N 2.79Š|
| 223 | E | 92.6 | Very high | 95.4 | Very high | 126 Ų | 126 | 47.5 Ų | 47.5 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 6.9 | 175.6 | -57.7 | 70.6 | -145.5 | 0 | 0 | 112.4 | N221 K225 | N221-E223 PolarHBondContact ND2-OE2 3.3Å; N221-E223 PolarHBondContact O-N 3.31Å; N221-E223 WeakPolarHBondContact OD1-CA 3.37Å; N221-E223 PolarHBondContact OD1-N 3.17Å; N221-E223 PolarHBondContact OD1-OE2 3.28Å; E223-K225 HydrophobicContact CB-CG 4.47Å; E223-K225 PolarHBondContact O-N 3.26Å |
| 224 | L | 94 | Very high | 95.1 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 60.6 | 26.9 | -177.4 | -54.1 | -174 | 0 | 0 | 0 | 114.6 | V172 I175 K176 L197 L220 N221 K222 | V172-L224 HydrophobicContact CB-CD1 4.03Å; V172-L224 HydrophobicContact CG1-CD1 3.63Å; V172-L224 HydrophobicContact CG2-CD1 3.68Å; I175-L224 HydrophobicContact CB-CD2 4.31Å; I175-L224 HydrophobicContact CG2-CD2 3.54Å; K176-L224 HydrophobicContact CG-CD1 4.27Å; K176-L224 HydrophobicContact CG-CD2 4.4Å; K176-L224 HydrophobicContact CG-CG 4.48Å; L197-L224 WeakPolarHBondContact CD2-O 3.33Å; L220-L224 HydrophobicContact CB-CD2 4.49Å; L220-L224 HydrophobicContact CD1-CD2 4.4Å; N221-L224 WeakPolarHBondContact O-CA 3.4Å; N221-L224 PolarHBondContact O-N 3.12Å; N221-L224 PolarHBondContact OD1-N 3.48Å; N221-L224 VanDerWaalsContact OD1-N 3.14Å; K222-L224 PolarHBondContact O-N 2.79Å |
| 225 | K | 94.7 | Very high | 94.7 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | trans | -89.9 | 137.7 | 172 | -63.9 | -171.9 | 176.8 | -176.5 | 0 | 110.7 | L220 N221 E223 T227 | L220-K225 CarbonylContact C-O 3.53Å; L220-K225 WeakPolarHBondContact CA-O 3.48Å; N221-K225 PolarHBondContact N-O 3.32Å; N221-K225 PolarHBondContact OD1-N 3.42Å; N221-K225 PolarHBondContact OD1-O 2.89Å; E223-K225 HydrophobicContact CB-CG 4.47Å; E223-K225 PolarHBondContact O-N 3.26Å; K225-T227 PolarHBondContact O-N 3.44Å | ||
| 226 | P | 95.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -54.4 | 128.2 | 172.3 | -26.5 | 35.9 | 0 | 0 | 0 | 111.9 | L197 E198 Y218 E219 L220 | L197-P226 HydrophobicContact CB-CG 4.17Å; L197-P226 WeakPolarHBondContact O-CD 3.22Å; E198-P226 HydrophobicContact CG-CG 4.09Å; Y218-P226 HydrophobicContact CD1-CB 3.99Å; Y218-P226 HydrophobicContact CD1-CG 3.78Å; Y218-P226 HydrophobicContact CE1-CB 4.17Å; Y218-P226 HydrophobicContact CE1-CG 3.78Å; E219-P226 CarbonylContact O-C 3.57Å; E219-P226 VanDerWaalsContact O-CA 3.31Å; E219-P226 WeakPolarHBondContact O-CA 3.21Å; L220-P226 HydrophobicContact CD2-CB 4.43Å; L220-P226 HydrophobicContact CD2-CG 4.01Å |
| 227 | T | 95.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -87.7 | -15.4 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | E219 N221 K225 | E219-T227 WeakPolarHBondContact CB-OG1 3.46Å; E219-T227 PolarHBondContact O-N 3.34Å; E219-T227 PolarHBondContact O-OG1 2.9Å; N221-T227 HydrophobicContact CB-CG2 3.86Å; K225-T227 PolarHBondContact O-N 3.44Å |
| 228 | K | 94.3 | Very high | 93.1 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -152.4 | 165.5 | 178 | 63.7 | -175.9 | -177.9 | -169 | 0 | 110 | E219 Q231 | E219-K228 HydrophobicContact CB-CG 4.36Å; E219-K228 WeakPolarHBondContact OE1-CE 3.31Å; E219-K228 IonicContact OE1-NZ 2.6Å; E219-K228 PolarHBondContact OE1-NZ 3.11Å; E219-K228 WeakPolarHBondContact OE2-CE 3.38Å; E219-K228 IonicContact OE2-NZ 3Å; E219-K228 PolarHBondContact OE2-NZ 3.33Å; K228-Q231 VanDerWaalsContact CE-CD 3.5Å; K228-Q231 VanDerWaalsContact NZ-OE1 3.14Å |
| 229 | P | 92.1 | Very high | 92.5 | Very high | 105 Ų | 105 | 68.5 Ų | 68.5 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | trans | -56.5 | 150.5 | 173.9 | -24.4 | 35 | 0 | 0 | 0 | 112.1 | Q231 | P229-Q231 PolarHBondContact O-N 3.23Š| ||
| 230 | M | 93.6 | Very high | 92.1 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 15% | 0.153 | 36% | 0.36 | C | S | . | . | trans | -55.4 | 140 | 174.3 | 79.8 | 178.6 | 83.8 | 0 | 0 | 110.7 | V194 E198 L208 L210 I216 Y218 F232 | V194-M230 HydrophobicContact CG1-CE 3.88Å; E198-M230 VanDerWaalsContact OE1-CE 3.32Å; E198-M230 WeakPolarHBondContact OE1-CE 3.45Å; L208-M230 HydrophobicContact CD1-CE 4.22Å; L210-M230 HydrophobicContact CD2-SD 4.36Å; I216-M230 HydrophobicContact CG2-CB 3.8Å; I216-M230 HydrophobicContact CG2-CG 4.04Å; I216-M230 HydrophobicContact CG2-SD 3.78Å; Y218-M230 HydrophobicContact CD1-CB 4.5Å; Y218-M230 HydrophobicContact CD2-CB 4.43Å; Y218-M230 HydrophobicContact CE1-CB 3.89Å; Y218-M230 HydrophobicContact CE2-CB 3.81Å; Y218-M230 VanDerWaalsContact OH-CE 3.24Å; Y218-M230 WeakPolarHBondContact OH-CE 3.26Å; M230-F232 HydrophobicContact CG-CZ 4.34Å; M230-F232 HydrophobicContact SD-CE1 4.37Å; M230-F232 HydrophobicContact SD-CZ 3.97Å | ||
| 231 | Q | 94.3 | Very high | 91.6 | Very high | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | -178.5 | -58.1 | -175.4 | -52.9 | 0 | 0 | 110.2 | I216 V217 K228 P229 | I216-Q231 CarbonylContact C-O 3.58Å; I216-Q231 WeakPolarHBondContact CA-O 3.29Å; V217-Q231 HydrophobicContact CB-CB 4.39Å; V217-Q231 PolarHBondContact N-O 3.03Å; V217-Q231 PolarHBondContact O-N 3.21Å; K228-Q231 VanDerWaalsContact CE-CD 3.5Å; K228-Q231 VanDerWaalsContact NZ-OE1 3.14Å; P229-Q231 PolarHBondContact O-N 3.23Å |
| 232 | F | 95.1 | Very high | 90.9 | Very high | 51 Ų | 51 | 75.8 Ų | 75.8 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.4 | 175.4 | -63.5 | -68.7 | 0 | 0 | 0 | 110 | P211 I214 P215 I216 M230 V239 M243 | P211-F232 HydrophobicContact CG-CD1 4.01Å; P211-F232 HydrophobicContact CG-CE1 3.72Å; P211-F232 HydrophobicContact CG-CZ 4.4Å; I214-F232 HydrophobicContact CG2-CB 3.75Å; I214-F232 HydrophobicContact CG2-CD1 3.82Å; I214-F232 HydrophobicContact CG2-CG 4.18Å; P215-F232 WeakPolarHBondContact O-CA 3.46Å; I216-F232 HydrophobicContact CD1-CE1 4.17Å; I216-F232 HydrophobicContact CG1-CD1 3.9Å; I216-F232 HydrophobicContact CG1-CE1 3.75Å; M230-F232 HydrophobicContact CG-CZ 4.34Å; M230-F232 HydrophobicContact SD-CE1 4.37Å; M230-F232 HydrophobicContact SD-CZ 3.97Å; F232-V239 HydrophobicContact CB-CG1 3.72Å; F232-V239 HydrophobicContact CB-CG2 4.04Å; F232-V239 HydrophobicContact CD2-CG1 4.24Å; F232-V239 HydrophobicContact CG-CG1 4.29Å; F232-M243 HydrophobicContact CD2-SD 4.07Å; F232-M243 HydrophobicContact CE2-CE 4.19Å; F232-M243 HydrophobicContact CE2-SD 3.49Å; F232-M243 WeakPolarHBondContact CE2-SD 3.42Å; F232-M243 HydrophobicContact CZ-SD 3.83Å |
| 233 | L | 94.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | trans | -90.3 | 132.5 | 174.4 | -61.7 | -179.3 | 0 | 0 | 0 | 111.2 | A44 I45 A48 M50 P215 V217 | A44-L233 HydrophobicContact CB-CB 4.04Å; I45-L233 HydrophobicContact CG1-CD1 4.26Å; A48-L233 HydrophobicContact CB-CD1 4.4Å; M50-L233 HydrophobicContact CE-CD1 3.64Å; M50-L233 HydrophobicContact CE-CD2 4.08Å; M50-L233 HydrophobicContact CE-CG 4.43Å; M50-L233 HydrophobicContact SD-CD1 3.71Å; P215-L233 HydrophobicContact CB-CB 4.09Å; P215-L233 HydrophobicContact CB-CD1 4.11Å; P215-L233 HydrophobicContact CB-CG 4.36Å; P215-L233 HydrophobicContact CG-CB 4.24Å; P215-L233 PolarHBondContact O-N 2.95Å; V217-L233 HydrophobicContact CG2-CD1 3.57Å; V217-L233 HydrophobicContact CG2-CD2 3.87Å; V217-L233 HydrophobicContact CG2-CG 3.49Å; V217-L233 VanDerWaalsContact CG2-CG 3.49Å | ||
| 234 | G | 91.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 155.6 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 235 | D | 88 | Confident | 89 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | trans | -64.7 | 150.3 | 166.2 | 63.8 | 94.6 | 0 | 0 | 0 | 110.3 | E237 T238 V239 | D235-E237 PolarHBondContact O-N 2.93Å; D235-E237 PolarHBondContact OD1-N 3.46Å; D235-T238 PolarHBondContact O-N 3.43Å; D235-T238 WeakPolarHBondContact OD1-CB 3.45Å; D235-T238 PolarHBondContact OD1-N 2.89Å; D235-T238 PolarHBondContact OD1-OG1 3.38Å; D235-T238 VanDerWaalsContact OD1-OG1 3.06Å; D235-T238 WeakPolarHBondContact OD2-CB 3.41Å; D235-T238 PolarHBondContact OD2-OG1 2.77Å; D235-V239 PolarHBondContact O-N 2.66Å | ||
| 236 | E | 85.3 | Confident | 87.9 | Confident | 177 Ų | 177 | 67.7 Ų | 67.7 | 83% | 0.827 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.1 | -37.6 | -174.7 | -67.8 | -174.7 | 166.5 | 0 | 0 | 112.4 | R240 | E236-R240 VanDerWaalsContact O-CB 3.22Å; E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 PolarHBondContact O-N 2.93Å |
| 237 | E | 88.6 | Confident | 86.6 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | -179.1 | -168.3 | -177.6 | 172.9 | 0 | 0 | 111.6 | D235 R240 K241 | D235-E237 PolarHBondContact O-N 2.93Å; D235-E237 PolarHBondContact OD1-N 3.46Å; E237-R240 PolarHBondContact O-N 3.46Å; E237-K241 HydrophobicContact CG-CD 4.26Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 WeakPolarHBondContact O-CG 3.28Å; E237-K241 PolarHBondContact O-N 2.89Å; E237-K241 WeakPolarHBondContact OE1-CE 3.35Å; E237-K241 IonicContact OE1-NZ 3.94Å; E237-K241 PolarHBondContact OE1-NZ 2.86Å |
| 238 | T | 85.8 | Confident | 85.5 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.172 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 174.7 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | R40 I214 D235 K241 A242 | R40-T238 VanDerWaalsContact NE-CG2 3.33Å; I214-T238 HydrophobicContact CD1-CG2 4.15Å; D235-T238 PolarHBondContact O-N 3.43Å; D235-T238 WeakPolarHBondContact OD1-CB 3.45Å; D235-T238 PolarHBondContact OD1-N 2.89Å; D235-T238 PolarHBondContact OD1-OG1 3.38Å; D235-T238 VanDerWaalsContact OD1-OG1 3.06Å; D235-T238 WeakPolarHBondContact OD2-CB 3.41Å; D235-T238 PolarHBondContact OD2-OG1 2.77Å; T238-K241 PolarHBondContact O-N 2.88Å; T238-A242 VanDerWaalsContact O-CB 3.28Å; T238-A242 WeakPolarHBondContact O-CB 3.37Å; T238-A242 PolarHBondContact O-N 3.42Å |
| 239 | V | 85.7 | Confident | 83.9 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 110 | F232 D235 A242 M243 | F232-V239 HydrophobicContact CB-CG1 3.72Å; F232-V239 HydrophobicContact CB-CG2 4.04Å; F232-V239 HydrophobicContact CD2-CG1 4.24Å; F232-V239 HydrophobicContact CG-CG1 4.29Å; D235-V239 PolarHBondContact O-N 2.66Å; V239-A242 PolarHBondContact O-N 3.26Å; V239-M243 HydrophobicContact CG1-CG 4.35Å; V239-M243 WeakPolarHBondContact O-CB 3.5Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.37Å; V239-M243 PolarHBondContact O-N 3.44Å |
| 240 | R | 87.1 | Confident | 81.8 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -52.2 | 177.4 | -175.1 | -174.6 | 66.4 | 90.5 | -2.8 | 111.9 | E236 E237 A242 M243 E244 | E236-R240 VanDerWaalsContact O-CB 3.22Å; E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 PolarHBondContact O-N 2.93Å; E237-R240 PolarHBondContact O-N 3.46Å; R240-A242 VanDerWaalsContact C-N 3.29Å; R240-A242 PolarHBondContact O-N 2.99Å; R240-M243 PolarHBondContact O-N 3.44Å; R240-E244 IonicContact CZ-OE1 3.35Å; R240-E244 VanDerWaalsContact NH1-CD 3.33Å; R240-E244 IonicContact NH1-OE1 3.08Å; R240-E244 PolarHBondContact NH1-OE1 3.49Å; R240-E244 IonicContact NH1-OE2 2.67Å; R240-E244 PolarHBondContact NH1-OE2 3.36Å; R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 3.15Å |
| 241 | K | 86.9 | Confident | 79.4 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 47% | 0.47 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 179.6 | -76.9 | 179.3 | -178.6 | 168.1 | 0 | 112 | E237 T238 E244 A245 | E237-K241 HydrophobicContact CG-CD 4.26Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 WeakPolarHBondContact O-CG 3.28Å; E237-K241 PolarHBondContact O-N 2.89Å; E237-K241 WeakPolarHBondContact OE1-CE 3.35Å; E237-K241 IonicContact OE1-NZ 3.94Å; E237-K241 PolarHBondContact OE1-NZ 2.86Å; T238-K241 PolarHBondContact O-N 2.88Å; K241-E244 PolarHBondContact O-N 2.98Å; K241-A245 WeakPolarHBondContact O-CB 3.05Å; K241-A245 PolarHBondContact O-N 2.89Å |
| 242 | A | 79.9 | Confident | 76.9 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 17% | 0.174 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | P211 I214 T238 V239 R240 A245 V246 | P211-A242 HydrophobicContact CB-CB 3.82Å; I214-A242 HydrophobicContact CD1-CB 3.18Å; I214-A242 HydrophobicContact CG1-CB 4.38Å; T238-A242 VanDerWaalsContact O-CB 3.28Å; T238-A242 WeakPolarHBondContact O-CB 3.37Å; T238-A242 PolarHBondContact O-N 3.42Å; V239-A242 PolarHBondContact O-N 3.26Å; R240-A242 VanDerWaalsContact C-N 3.29Å; R240-A242 PolarHBondContact O-N 2.99Å; A242-A245 PolarHBondContact O-N 2.85Å; A242-V246 VanDerWaalsContact O-CB 3.22Å; A242-V246 WeakPolarHBondContact O-CB 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.48Å; A242-V246 PolarHBondContact O-N 3.18Å |
| 243 | M | 78.4 | Confident | 74.1 | Confident | 76 Ų | 76 | 83 Ų | 83 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 173.5 | -70.6 | -56.3 | -63 | 0 | 0 | 112.1 | F232 V239 R240 V246 A247 | F232-M243 HydrophobicContact CD2-SD 4.07Å; F232-M243 HydrophobicContact CE2-CE 4.19Å; F232-M243 HydrophobicContact CE2-SD 3.49Å; F232-M243 WeakPolarHBondContact CE2-SD 3.42Å; F232-M243 HydrophobicContact CZ-SD 3.83Å; V239-M243 HydrophobicContact CG1-CG 4.35Å; V239-M243 WeakPolarHBondContact O-CB 3.5Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.37Å; V239-M243 PolarHBondContact O-N 3.44Å; R240-M243 PolarHBondContact O-N 3.44Å; M243-V246 WeakPolarHBondContact O-CB 3.17Å; M243-V246 PolarHBondContact O-N 3.44Å; M243-A247 WeakPolarHBondContact O-CB 3.33Å; M243-A247 PolarHBondContact O-N 2.82Å |
| 244 | E | 82.4 | Confident | 73.1 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 173.3 | -74 | 171.8 | -176.4 | 0 | 0 | 112 | R240 K241 V246 A247 A248 | R240-E244 IonicContact CZ-OE1 3.35Å; R240-E244 VanDerWaalsContact NH1-CD 3.33Å; R240-E244 IonicContact NH1-OE1 3.08Å; R240-E244 PolarHBondContact NH1-OE1 3.49Å; R240-E244 IonicContact NH1-OE2 2.67Å; R240-E244 PolarHBondContact NH1-OE2 3.36Å; R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 3.15Å; K241-E244 PolarHBondContact O-N 2.98Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 2.62Å; E244-A247 PolarHBondContact O-N 3.47Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 3.37Å |
| 245 | A | 79.1 | Confident | 72.1 | Confident | 54 Ų | 54 | 88.1 Ų | 88.1 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K241 A242 A248 Q249 | K241-A245 WeakPolarHBondContact O-CB 3.05Å; K241-A245 PolarHBondContact O-N 2.89Å; A242-A245 PolarHBondContact O-N 2.85Å; A245-A248 PolarHBondContact O-N 3.09Å; A245-Q249 WeakPolarHBondContact O-CG 3.48Å; A245-Q249 PolarHBondContact O-N 3.36Å; A245-Q249 VanDerWaalsContact O-N 3.12Å |
| 246 | V | 71.7 | Confident | 71.3 | Confident | 12 Ų | 12 | 88.6 Ų | 88.6 | 7% | 0.073 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 172 | 149.8 | 0 | 0 | 0 | 0 | 110.9 | N209 P211 A242 M243 E244 A248 Q249 | N209-V246 HydrophobicContact CB-CB 4.19Å; N209-V246 HydrophobicContact CB-CG1 3.35Å; N209-V246 HydrophobicContact CB-CG2 4.32Å; N209-V246 WeakPolarHBondContact O-CG1 2.97Å; P211-V246 HydrophobicContact CB-CG2 3.94Å; A242-V246 VanDerWaalsContact O-CB 3.22Å; A242-V246 WeakPolarHBondContact O-CB 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.48Å; A242-V246 PolarHBondContact O-N 3.18Å; M243-V246 WeakPolarHBondContact O-CB 3.17Å; M243-V246 PolarHBondContact O-N 3.44Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 2.62Å; V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 PolarHBondContact O-N 2.99Å; V246-Q249 PolarHBondContact O-N 3.02Å |
| 247 | A | 69.1 | Low | 70.4 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | M243 E244 Q249 G250 | M243-A247 WeakPolarHBondContact O-CB 3.33Å; M243-A247 PolarHBondContact O-N 2.82Å; E244-A247 PolarHBondContact O-N 3.47Å; A247-Q249 VanDerWaalsContact C-N 3.35Å; A247-Q249 PolarHBondContact O-N 3.32Å; A247-G250 PolarHBondContact O-N 2.89Å |
| 248 | A | 71.8 | Confident | 69.3 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.6 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E244 A245 V246 G250 K251 | E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 3.37Å; A245-A248 PolarHBondContact O-N 3.09Å; V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 PolarHBondContact O-N 2.99Å; A248-G250 PolarHBondContact O-N 3.26Å; A248-G250 VanDerWaalsContact O-N 3.09Å; A248-K251 PolarHBondContact O-N 2.67Å |
| 249 | Q | 61.3 | Low | 68.2 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.1 | 176.5 | -74.4 | 175.4 | 20.2 | 0 | 0 | 114.2 | A245 V246 A247 | A245-Q249 WeakPolarHBondContact O-CG 3.48Å; A245-Q249 PolarHBondContact O-N 3.36Å; A245-Q249 VanDerWaalsContact O-N 3.12Å; V246-Q249 PolarHBondContact O-N 3.02Å; A247-Q249 VanDerWaalsContact C-N 3.35Å; A247-Q249 PolarHBondContact O-N 3.32Å |
| 250 | G | 48.1 | Very low | 67 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -6.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A247 A248 | A247-G250 PolarHBondContact O-N 2.89Å; A248-G250 PolarHBondContact O-N 3.26Å; A248-G250 VanDerWaalsContact O-N 3.09Å |
| 251 | K | 43.6 | Very low | 65.4 | Low | 166 Ų | 166 | 87.5 Ų | 87.5 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -95.7 | 135.1 | 174.3 | -61.9 | -175.9 | 179.5 | -177.7 | 0 | 108.1 | A248 | A248-K251 PolarHBondContact O-N 2.67Š|
| 252 | A | 40.9 | Very low | 63.6 | Low | 81 Ų | 81 | 85.8 Ų | 85.8 | 67% | 0.669 | 49% | 0.493 | S | S | * | . | trans | -56.7 | 141.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 253 | K | 37 | Very low | 62.1 | Low | 273 Ų | 273 | 91.6 Ų | 91.6 | 100% | 1.187 | 52% | 0.522 | S | S | * | . | trans | -93.9 | 0 | 162.3 | -94 | -165.5 | 175.6 | -171.9 | 0 | 107.6 |
Retrieved 253 of 253 residues in 137.2 ms
(Link to these results)