| 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 | 54.9 | Low | 74.7 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | 0 | 88.8 | 0 | -65.3 | 136.1 | -174.2 | 0 | 0 | 109.5 | G3 I85 L86 D230 I231 D235 L545 | M1-G3 PolarHBondContact O-N 3.18Å; M1-I85 HydrophobicContact CE-CB 3.67Å; M1-I85 HydrophobicContact CE-CG2 3.56Å; M1-I85 HydrophobicContact CG-CG2 3.91Å; M1-I85 WeakPolarHBondContact CG-O 3.46Å; M1-I85 HydrophobicContact SD-CB 4.48Å; M1-I85 HydrophobicContact SD-CG2 3.72Å; M1-L86 HydrophobicContact CE-CD2 3.89Å; M1-L86 HydrophobicContact CE-CG 3.67Å; M1-L86 HydrophobicContact CG-CD2 4.04Å; M1-D230 CarbonylContact C-O 3.59Å; M1-D230 VanDerWaalsContact CA-O 3.3Å; M1-D230 WeakPolarHBondContact CA-O 3.44Å; M1-D230 WeakPolarHBondContact CB-O 3.05Å; M1-D230 PolarHBondContact N-O 3.23Å; M1-D230 CarbonylContact O-C 3.59Å; M1-I231 HydrophobicContact SD-CG1 4.46Å; M1-D235 VanDerWaalsContact CB-OD2 3.27Å; M1-D235 WeakPolarHBondContact CB-OD2 3.27Å; M1-D235 HydrophobicContact SD-CB 3.75Å; M1-L545 HydrophobicContact CE-CB 3.89Å; M1-L545 HydrophobicContact CE-CD2 4.13Å; M1-L545 HydrophobicContact CE-CG 4.42Å | |||
| 2 | P | 63.6 | Low | 74.2 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 118.5 | -178.9 | 28.3 | -33.3 | 0 | 0 | 0 | 110.4 | T88 | P2-T88 HydrophobicContact CG-CG2 4.36Š|
| 3 | G | 69.8 | Low | 74.6 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 142.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1 W11 V13 | M1-G3 PolarHBondContact O-N 3.18Å; G3-W11 CarbonylContact C-O 3.58Å; G3-W11 WeakPolarHBondContact CA-O 3.17Å; G3-V13 CarbonylContact C-O 3.5Å; G3-V13 WeakPolarHBondContact CA-O 3.48Å |
| 4 | I | 81.1 | Confident | 75 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 139.7 | -163.8 | -163.9 | 175.7 | 0 | 0 | 0 | 111.9 | V6 R10 W11 V13 M94 L98 | I4-V6 HydrophobicContact CD1-CG2 3.97Å; I4-V6 HydrophobicContact CG1-CG2 3.85Å; I4-V6 HydrophobicContact CG2-CG2 4.14Å; I4-R10 CarbonylContact O-C 3.55Å; I4-R10 WeakPolarHBondContact O-CA 3.41Å; I4-W11 HydrophobicContact CG2-CB 4.05Å; I4-W11 HydrophobicContact CG2-CG 4.48Å; I4-W11 PolarHBondContact O-N 2.93Å; I4-V13 WeakPolarHBondContact CG2-O 3.27Å; I4-V13 PolarHBondContact N-O 3.1Å; I4-M94 HydrophobicContact CD1-CB 4.35Å; I4-M94 HydrophobicContact CD1-CG 3.69Å; I4-L98 HydrophobicContact CD1-CD1 3.55Å |
| 5 | V | 80.4 | Confident | 75.5 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 39% | 0.394 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107.9 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | R9 R10 V165 | V5-R9 WeakPolarHBondContact CA-O 3.33Å; V5-R10 HydrophobicContact CG2-CB 4.49Å; V5-V165 HydrophobicContact CG1-CG2 3.99Å; V5-V165 HydrophobicContact CG2-CG2 4.35Å |
| 6 | V | 79.8 | Confident | 76 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.3 | -178 | -166 | 0 | 0 | 0 | 0 | 108.1 | I4 R8 R9 W11 L98 Y99 | I4-V6 HydrophobicContact CD1-CG2 3.97Å; I4-V6 HydrophobicContact CG1-CG2 3.85Å; I4-V6 HydrophobicContact CG2-CG2 4.14Å; V6-R8 PolarHBondContact O-N 3.47Å; V6-R9 PolarHBondContact N-O 3.29Å; V6-R9 PolarHBondContact O-N 3.12Å; V6-W11 PolarHBondContact O-NE1 3.25Å; V6-L98 HydrophobicContact CG2-CD1 4.28Å; V6-Y99 HydrophobicContact CG1-CD1 4.22Å; V6-Y99 HydrophobicContact CG1-CE1 3.4Å |
| 7 | F | 80.6 | Confident | 76.4 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 45% | 0.447 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 35.5 | -172.7 | -54.2 | -73.5 | 0 | 0 | 0 | 114.5 | R9 W11 Y99 L102 | F7-R9 PolarHBondContact O-N 3.22Å; F7-W11 HydrophobicContact CD2-CZ2 4.43Å; F7-Y99 AromaticContact CD1-CE1 3.86Å; F7-Y99 HydrophobicContact CD1-CE1 3.86Å; F7-Y99 HydrophobicContact CD2-CE1 4.32Å; F7-Y99 AromaticContact CE1-CD1 3.85Å; F7-Y99 HydrophobicContact CE1-CD1 3.85Å; F7-Y99 AromaticContact CE1-CE1 3.49Å; F7-Y99 HydrophobicContact CE1-CE1 3.49Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.49Å; F7-Y99 HydrophobicContact CE2-CD1 4.37Å; F7-Y99 AromaticContact CE2-CE1 3.99Å; F7-Y99 HydrophobicContact CE2-CE1 3.99Å; F7-Y99 HydrophobicContact CG-CE1 4.25Å; F7-Y99 AromaticContact CZ-CD1 3.68Å; F7-Y99 HydrophobicContact CZ-CD1 3.68Å; F7-Y99 AromaticContact CZ-CE1 3.55Å; F7-Y99 HydrophobicContact CZ-CE1 3.55Å; F7-Y99 PolarHBondContact N-OH 3.06Å; F7-Y99 VanDerWaalsContact N-OH 3.13Å; F7-L102 HydrophobicContact CE2-CD2 4.21Å; F7-L102 HydrophobicContact CZ-CD2 3.58Å |
| 8 | R | 78.1 | Confident | 77 | Confident | 220 Ų | 220 | 41.4 Ų | 41.4 | 83% | 0.83 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 28 | -175.1 | -56 | 179 | 178 | 172.9 | -1 | 113.6 | V6 | V6-R8 PolarHBondContact O-N 3.47Š|
| 9 | R | 78.3 | Confident | 77.5 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.5 | 177.2 | 165.8 | 172.5 | -101.4 | 136.4 | -2.6 | 109.1 | V5 V6 F7 W11 F157 D158 P159 R162 | V5-R9 WeakPolarHBondContact CA-O 3.33Å; V6-R9 PolarHBondContact N-O 3.29Å; V6-R9 PolarHBondContact O-N 3.12Å; F7-R9 PolarHBondContact O-N 3.22Å; R9-W11 VanDerWaalsContact O-CD1 3.24Å; R9-F157 VanDerWaalsContact CZ-CZ 3.44Å; R9-D158 WeakPolarHBondContact CD-O 3.34Å; R9-D158 PolarHBondContact NE-O 3.19Å; R9-P159 PolarHBondContact NH2-O 2.87Å; R9-R162 HydrophobicContact CB-CG 3.85Å; R9-R162 HydrophobicContact CG-CG 4.38Å |
| 10 | R | 78.3 | Confident | 77.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 142.1 | 163.7 | 171.2 | 178 | 176.8 | 177 | 3.2 | 110.1 | I4 V5 G161 F164 D230 | I4-R10 CarbonylContact O-C 3.55Å; I4-R10 WeakPolarHBondContact O-CA 3.41Å; V5-R10 HydrophobicContact CG2-CB 4.49Å; R10-G161 PolarHBondContact N-O 3.01Å; R10-G161 WeakPolarHBondContact O-CA 3.4Å; R10-F164 HydrophobicContact CB-CD1 4.11Å; R10-F164 VanDerWaalsContact CD-CD1 3.48Å; R10-F164 HydrophobicContact CG-CD1 4.42Å; R10-D230 IonicContact CZ-OD1 3.41Å; R10-D230 IonicContact NH1-OD1 2.67Å; R10-D230 PolarHBondContact NH1-OD1 3.19Å; R10-D230 IonicContact NH2-OD1 3.48Å; R10-D230 PolarHBondContact NH2-OD1 3.36Å |
| 11 | W | 76.7 | Confident | 78.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 15% | 0.148 | 22% | 0.221 | C | C | . | . | trans | -113.8 | 163.4 | 170.4 | -61.8 | 72.6 | 0 | 0 | 0 | 109.8 | G3 I4 V6 F7 R9 V13 V153 V156 F157 | G3-W11 CarbonylContact C-O 3.58Å; G3-W11 WeakPolarHBondContact CA-O 3.17Å; I4-W11 HydrophobicContact CG2-CB 4.05Å; I4-W11 HydrophobicContact CG2-CG 4.48Å; I4-W11 PolarHBondContact O-N 2.93Å; V6-W11 PolarHBondContact O-NE1 3.25Å; F7-W11 HydrophobicContact CD2-CZ2 4.43Å; R9-W11 VanDerWaalsContact O-CD1 3.24Å; W11-V13 VanDerWaalsContact C-N 3.27Å; W11-V13 PolarHBondContact O-N 3.04Å; W11-V153 HydrophobicContact CH2-CG1 4.23Å; W11-V153 HydrophobicContact CZ3-CG1 4.1Å; W11-V156 HydrophobicContact CB-CG1 4.37Å; W11-V156 HydrophobicContact CE3-CG1 4.2Å; W11-F157 HydrophobicContact CE3-CB 4.23Å; W11-F157 AromaticContact CH2-CD2 3.79Å; W11-F157 HydrophobicContact CH2-CD2 3.79Å; W11-F157 HydrophobicContact CZ2-CD2 4.4Å; W11-F157 HydrophobicContact CZ3-CB 3.82Å; W11-F157 AromaticContact CZ3-CD2 3.86Å; W11-F157 HydrophobicContact CZ3-CD2 3.86Å; W11-F157 HydrophobicContact CZ3-CG 4.3Å | ||
| 12 | S | 69.4 | Low | 79.9 | Confident | 30 Ų | 30 | 43 Ų | 43 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -93.6 | 41.8 | 179.8 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | V156 R197 | S12-V156 PolarHBondContact N-O 2.96Å; S12-V156 PolarHBondContact OG-O 3.34Å; S12-V156 VanDerWaalsContact OG-O 3.11Å; S12-R197 PolarHBondContact OG-NH1 3.35Å; S12-R197 PolarHBondContact OG-NH2 2.95Å |
| 13 | V | 78.8 | Confident | 81.2 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -142.2 | 139.4 | 178.6 | 143.2 | 0 | 0 | 0 | 0 | 107.4 | G3 I4 W11 D17 L18 V156 | G3-V13 CarbonylContact C-O 3.5Å; G3-V13 WeakPolarHBondContact CA-O 3.48Å; I4-V13 WeakPolarHBondContact CG2-O 3.27Å; I4-V13 PolarHBondContact N-O 3.1Å; W11-V13 VanDerWaalsContact C-N 3.27Å; W11-V13 PolarHBondContact O-N 3.04Å; V13-D17 HydrophobicContact CG1-CB 4.23Å; V13-L18 HydrophobicContact CG1-CD2 4.18Å; V13-V156 HydrophobicContact CB-CG1 3.58Å; V13-V156 HydrophobicContact CG2-CB 4.29Å; V13-V156 HydrophobicContact CG2-CG1 3.46Å; V13-V156 VanDerWaalsContact CG2-CG1 3.46Å; V13-V156 HydrophobicContact CG2-CG2 3.74Å |
| 14 | G | 80.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -82.2 | 158.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D16 D17 | G14-D16 WeakPolarHBondContact CA-OD1 3.26Å; G14-D16 PolarHBondContact O-N 2.96Å; G14-D17 WeakPolarHBondContact CA-OD2 2.95Å; G14-D17 PolarHBondContact N-OD2 2.96Å; G14-D17 PolarHBondContact O-N 3.14Å | ||
| 15 | S | 82.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.8 | 174.7 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | S80 R91 | S15-S80 VanDerWaalsContact O-CB 3.24Å; S15-S80 WeakPolarHBondContact O-CB 3.5Å; S15-S80 PolarHBondContact O-OG 2.84Å; S15-R91 WeakPolarHBondContact OG-CD 3.48Å; S15-R91 PolarHBondContact OG-NH1 3.18Å; S15-R91 VanDerWaalsContact OG-NH1 3.14Å |
| 16 | D | 82.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -17.6 | 177 | 42.1 | 11.7 | 0 | 0 | 0 | 114.1 | G14 L18 V19 R91 K552 | G14-D16 WeakPolarHBondContact CA-OD1 3.26Å; G14-D16 PolarHBondContact O-N 2.96Å; D16-L18 PolarHBondContact O-N 3.01Å; D16-V19 WeakPolarHBondContact O-CG2 3.47Å; D16-R91 IonicContact OD1-NH1 2.86Å; D16-R91 IonicContact OD2-CZ 3.94Å; D16-R91 IonicContact OD2-NH1 2.81Å; D16-R91 PolarHBondContact OD2-NH1 3.37Å; D16-R91 IonicContact OD2-NH2 2.73Å; D16-K552 WeakPolarHBondContact OD1-CE 3.17Å; D16-K552 IonicContact OD1-NZ 3.03Å; D16-K552 PolarHBondContact OD1-NZ 3.05Å; D16-K552 WeakPolarHBondContact OD2-CE 3.26Å; D16-K552 IonicContact OD2-NZ 3.56Å |
| 17 | D | 83.4 | Confident | 84 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.3 | 175.7 | -61.7 | -45.8 | 0 | 0 | 0 | 112.5 | V13 G14 V19 P21 S234 K552 | V13-D17 HydrophobicContact CG1-CB 4.23Å; G14-D17 WeakPolarHBondContact CA-OD2 2.95Å; G14-D17 PolarHBondContact N-OD2 2.96Å; G14-D17 PolarHBondContact O-N 3.14Å; D17-V19 PolarHBondContact O-N 3.17Å; D17-P21 VanDerWaalsContact O-CD 3.25Å; D17-P21 WeakPolarHBondContact O-CD 3.47Å; D17-S234 WeakPolarHBondContact OD1-CB 3.45Å; D17-S234 PolarHBondContact OD1-OG 2.92Å; D17-S234 PolarHBondContact OD2-OG 3.06Å; D17-S234 VanDerWaalsContact OD2-OG 3.12Å; D17-K552 WeakPolarHBondContact OD1-CE 3.41Å; D17-K552 IonicContact OD1-NZ 3.95Å; D17-K552 PolarHBondContact OD1-NZ 3.02Å; D17-K552 IonicContact OD2-NZ 3.91Å; D17-K552 PolarHBondContact OD2-NZ 3.36Å |
| 18 | L | 87 | Confident | 84.5 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.6 | -177.1 | -57.5 | 172.8 | 0 | 0 | 0 | 113.7 | V13 D16 A22 I76 M94 L98 | V13-L18 HydrophobicContact CG1-CD2 4.18Å; D16-L18 PolarHBondContact O-N 3.01Å; L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 2.94Å; L18-A22 VanDerWaalsContact O-N 3.07Å; L18-I76 HydrophobicContact CB-CG2 3.84Å; L18-I76 HydrophobicContact CD1-CG2 4.5Å; L18-M94 HydrophobicContact CD1-CE 4.49Å; L18-M94 HydrophobicContact CD1-CG 4.16Å; L18-M94 HydrophobicContact CD1-SD 3.83Å; L18-L98 HydrophobicContact CD1-CD1 4.12Å; L18-L98 HydrophobicContact CD1-CD2 4.13Å |
| 19 | V | 86.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.7 | -53.9 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | D16 D17 A22 I23 S80 M81 W553 | D16-V19 WeakPolarHBondContact O-CG2 3.47Å; D17-V19 PolarHBondContact O-N 3.17Å; V19-A22 PolarHBondContact O-N 3.12Å; V19-I23 HydrophobicContact CG1-CD1 3.64Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3Å; V19-I23 PolarHBondContact O-N 3.09Å; V19-S80 VanDerWaalsContact CG2-CB 3.4Å; V19-M81 HydrophobicContact CG1-CG 4.26Å; V19-M81 HydrophobicContact CG2-CG 4.02Å; V19-W553 HydrophobicContact CG1-CB 4.35Å; V19-W553 HydrophobicContact CG1-CG 4.46Å; V19-W553 HydrophobicContact CG2-CB 4.49Å |
| 20 | L | 84.4 | Confident | 86 | Confident | 104 Ų | 104 | 40.5 Ų | 40.5 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.6 | -45.6 | -172.7 | -60.8 | 175.9 | 0 | 0 | 0 | 112.8 | A22 I23 F24 | L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.65Å; L20-I23 PolarHBondContact O-N 3.32Å; L20-F24 PolarHBondContact O-N 3.39Å |
| 21 | P | 86.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 173.2 | -24.6 | 35.4 | 0 | 0 | 0 | 113.1 | D17 F24 L25 | D17-P21 VanDerWaalsContact O-CD 3.25Å; D17-P21 WeakPolarHBondContact O-CD 3.47Å; P21-F24 PolarHBondContact O-N 3.15Å; P21-L25 WeakPolarHBondContact O-CB 3.26Å; P21-L25 WeakPolarHBondContact O-CG 3.35Å; P21-L25 PolarHBondContact O-N 3.07Å |
| 22 | A | 89.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.3 | -36.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L18 V19 L20 F26 I76 I77 | L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 2.94Å; L18-A22 VanDerWaalsContact O-N 3.07Å; V19-A22 PolarHBondContact O-N 3.12Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.65Å; A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 2.96Å; A22-I76 HydrophobicContact CB-CB 4.21Å; A22-I76 HydrophobicContact CB-CG2 3.78Å; A22-I77 HydrophobicContact CB-CD1 4.26Å; A22-I77 HydrophobicContact CB-CG1 3.61Å |
| 23 | I | 89.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 172.1 | -70.6 | 170.3 | 0 | 0 | 0 | 110.8 | V19 L20 F26 L27 I77 | V19-I23 HydrophobicContact CG1-CD1 3.64Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3Å; V19-I23 PolarHBondContact O-N 3.09Å; L20-I23 PolarHBondContact O-N 3.32Å; I23-F26 PolarHBondContact O-N 3.37Å; I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.49Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.15Å; I23-I77 HydrophobicContact CG1-CD1 3.81Å; I23-I77 HydrophobicContact CG1-CG1 3.98Å; I23-I77 HydrophobicContact CG1-CG2 4.35Å |
| 24 | F | 90.1 | Very high | 89.3 | Confident | 133 Ų | 133 | 47.8 Ų | 47.8 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | 178.3 | 176 | -97.1 | 0 | 0 | 0 | 112 | L20 P21 L27 L28 | L20-F24 PolarHBondContact O-N 3.39Å; P21-F24 PolarHBondContact O-N 3.15Å; F24-L27 PolarHBondContact O-N 2.85Å; F24-L28 HydrophobicContact CE1-CD1 4.2Å; F24-L28 HydrophobicContact CZ-CD1 4.33Å; F24-L28 WeakPolarHBondContact O-CB 3.24Å; F24-L28 PolarHBondContact O-N 3.2Å |
| 25 | L | 91.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.5 | -70.3 | 173.6 | 0 | 0 | 0 | 111.8 | P21 L27 L28 H29 E73 V145 | P21-L25 WeakPolarHBondContact O-CB 3.26Å; P21-L25 WeakPolarHBondContact O-CG 3.35Å; P21-L25 PolarHBondContact O-N 3.07Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2.74Å; L25-L28 PolarHBondContact O-N 2.64Å; L25-H29 VanDerWaalsContact O-CG 3.32Å; L25-H29 PolarHBondContact O-N 2.78Å; L25-H29 PolarHBondContact O-ND1 3.09Å; L25-E73 HydrophobicContact CB-CG 4.45Å; L25-V145 HydrophobicContact CD2-CG1 3.79Å |
| 26 | F | 94.1 | Very high | 90.2 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 178.1 | 177.9 | -95.8 | 0 | 0 | 0 | 112.3 | A22 I23 T30 M70 E73 M74 I77 | A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 2.96Å; I23-F26 PolarHBondContact O-N 3.37Å; F26-T30 VanDerWaalsContact O-CB 3.27Å; F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.38Å; F26-T30 PolarHBondContact O-OG1 3.4Å; F26-M70 HydrophobicContact CD2-CB 4.07Å; F26-M70 HydrophobicContact CD2-CG 4.11Å; F26-M70 HydrophobicContact CE2-CB 3.9Å; F26-M70 HydrophobicContact CE2-CE 3.83Å; F26-M70 HydrophobicContact CE2-CG 4.09Å; F26-M70 HydrophobicContact CZ-CE 4.05Å; F26-E73 HydrophobicContact CB-CB 4.27Å; F26-E73 PolarHBondContact N-OE2 2.96Å; F26-M74 HydrophobicContact CD1-SD 4.46Å; F26-M74 HydrophobicContact CD2-CG 3.74Å; F26-M74 HydrophobicContact CD2-SD 4.01Å; F26-M74 HydrophobicContact CE1-SD 4.2Å; F26-M74 HydrophobicContact CE2-CG 3.38Å; F26-M74 HydrophobicContact CE2-SD 3.72Å; F26-M74 HydrophobicContact CG-SD 4.38Å; F26-M74 HydrophobicContact CZ-CG 4.03Å; F26-M74 HydrophobicContact CZ-SD 3.83Å; F26-I77 HydrophobicContact CB-CD1 4.2Å |
| 27 | L | 93.7 | Very high | 90.6 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.6 | -68.9 | 168 | 0 | 0 | 0 | 111.8 | I23 F24 L25 T31 | I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.49Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.15Å; F24-L27 PolarHBondContact O-N 2.85Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2.74Å; L27-T31 WeakPolarHBondContact O-CB 3.39Å; L27-T31 PolarHBondContact O-N 3.19Å; L27-T31 PolarHBondContact O-OG1 2.82Å |
| 28 | L | 92.1 | Very high | 91 | Very high | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | 175.8 | -176.3 | 151 | 0 | 0 | 0 | 111.4 | F24 L25 T31 W32 V145 | F24-L28 HydrophobicContact CE1-CD1 4.2Å; F24-L28 HydrophobicContact CZ-CD1 4.33Å; F24-L28 WeakPolarHBondContact O-CB 3.24Å; F24-L28 PolarHBondContact O-N 3.2Å; L25-L28 PolarHBondContact O-N 2.64Å; L28-T31 PolarHBondContact O-N 3.49Å; L28-W32 VanDerWaalsContact O-CD1 3.31Å; L28-W32 PolarHBondContact O-N 3.2Å; L28-V145 HydrophobicContact CD1-CG2 4.02Å; L28-V145 HydrophobicContact CD2-CG2 4.02Å |
| 29 | H | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.1 | -63.1 | 133.3 | 0 | 0 | 0 | 112.3 | L25 T31 W32 F33 L66 M70 E73 R101 E108 | L25-H29 VanDerWaalsContact O-CG 3.32Å; L25-H29 PolarHBondContact O-N 2.78Å; L25-H29 PolarHBondContact O-ND1 3.09Å; H29-T31 VanDerWaalsContact C-N 3.32Å; H29-T31 PolarHBondContact O-N 3.12Å; H29-W32 PolarHBondContact O-N 3.04Å; H29-F33 WeakPolarHBondContact O-CB 3.24Å; H29-F33 PolarHBondContact O-N 2.83Å; H29-L66 HydrophobicContact CB-CD2 4.13Å; H29-M70 HydrophobicContact CB-CG 3.85Å; H29-E73 IonicContact CE1-OE1 3.97Å; H29-E73 PolarHBondContact CE1-OE1 3.14Å; H29-E73 VanDerWaalsContact CE1-OE1 3.23Å; H29-E73 IonicContact CE1-OE2 3.96Å; H29-E73 IonicContact CG-OE2 3.42Å; H29-E73 IonicContact ND1-OE1 3.51Å; H29-E73 PolarHBondContact ND1-OE1 2.96Å; H29-E73 IonicContact ND1-OE2 2.83Å; H29-E73 PolarHBondContact ND1-OE2 3.42Å; H29-R101 PolarHBondContact CE1-NH2 3.44Å; H29-E108 IonicContact NE2-OE1 3.27Å |
| 30 | T | 94.1 | Very high | 90.9 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | F26 F33 V34 M70 | F26-T30 VanDerWaalsContact O-CB 3.27Å; F26-T30 WeakPolarHBondContact O-CB 3.39Å; F26-T30 PolarHBondContact O-N 3.38Å; F26-T30 PolarHBondContact O-OG1 3.4Å; T30-F33 PolarHBondContact O-N 3.06Å; T30-V34 WeakPolarHBondContact O-CG2 3.22Å; T30-V34 PolarHBondContact O-N 3.08Å; T30-M70 HydrophobicContact CG2-CE 4.34Å; T30-M70 WeakPolarHBondContact OG1-CE 3.47Å |
| 31 | T | 93.6 | Very high | 91 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L27 L28 H29 V34 I35 | L27-T31 WeakPolarHBondContact O-CB 3.39Å; L27-T31 PolarHBondContact O-N 3.19Å; L27-T31 PolarHBondContact O-OG1 2.82Å; L28-T31 PolarHBondContact O-N 3.49Å; H29-T31 VanDerWaalsContact C-N 3.32Å; H29-T31 PolarHBondContact O-N 3.12Å; T31-V34 PolarHBondContact O-N 2.99Å; T31-I35 HydrophobicContact CG2-CD1 3.97Å; T31-I35 VanDerWaalsContact O-CG1 3.32Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.41Å |
| 32 | W | 92.4 | Very high | 90.7 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -35.1 | 176.4 | -78.2 | 109.3 | 0 | 0 | 0 | 113.5 | L28 H29 I35 L36 L66 V134 G137 M138 C141 | L28-W32 VanDerWaalsContact O-CD1 3.31Å; L28-W32 PolarHBondContact O-N 3.2Å; H29-W32 PolarHBondContact O-N 3.04Å; W32-I35 HydrophobicContact CE3-CD1 4.47Å; W32-I35 HydrophobicContact CE3-CG2 4.44Å; W32-I35 HydrophobicContact CZ3-CG2 4.46Å; W32-I35 PolarHBondContact O-N 3.24Å; W32-L36 WeakPolarHBondContact O-CB 3.37Å; W32-L36 PolarHBondContact O-N 3.46Å; W32-L66 HydrophobicContact CB-CD1 4.18Å; W32-V134 HydrophobicContact CZ3-CG1 4.41Å; W32-G137 VanDerWaalsContact CH2-C 3.49Å; W32-M138 HydrophobicContact CE3-CB 4.06Å; W32-M138 HydrophobicContact CE3-CG 4.3Å; W32-M138 HydrophobicContact CH2-CB 4.37Å; W32-M138 HydrophobicContact CZ3-CB 3.87Å; W32-C141 HydrophobicContact CZ2-CB 3.72Å; W32-C141 PolarHBondContact NE1-SG 2.71Å |
| 33 | F | 94 | Very high | 90.3 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.1 | -177.9 | -83.9 | 0 | 0 | 0 | 111.2 | H29 T30 S37 L63 L66 L67 M70 | H29-F33 WeakPolarHBondContact O-CB 3.24Å; H29-F33 PolarHBondContact O-N 2.83Å; T30-F33 PolarHBondContact O-N 3.06Å; F33-S37 VanDerWaalsContact O-CB 3.26Å; F33-S37 WeakPolarHBondContact O-CB 3.43Å; F33-S37 PolarHBondContact O-N 3.26Å; F33-S37 PolarHBondContact O-OG 2.8Å; F33-L63 HydrophobicContact CD1-CD1 4.48Å; F33-L63 HydrophobicContact CD2-CD1 3.43Å; F33-L63 VanDerWaalsContact CD2-CD1 3.43Å; F33-L63 HydrophobicContact CD2-CG 4.08Å; F33-L63 HydrophobicContact CE2-CD1 3.48Å; F33-L63 VanDerWaalsContact CE2-CD1 3.48Å; F33-L63 HydrophobicContact CE2-CG 3.69Å; F33-L63 HydrophobicContact CG-CD1 3.95Å; F33-L63 HydrophobicContact CZ-CD1 4.05Å; F33-L63 HydrophobicContact CZ-CG 4.3Å; F33-L66 HydrophobicContact CB-CB 4.49Å; F33-L66 HydrophobicContact CB-CD1 4.28Å; F33-L66 HydrophobicContact CD2-CB 4.09Å; F33-L67 HydrophobicContact CE2-CB 4.1Å; F33-M70 HydrophobicContact CB-SD 4.08Å; F33-M70 HydrophobicContact CD2-SD 4.39Å; F33-M70 HydrophobicContact CG-SD 4.24Å |
| 34 | V | 93.6 | Very high | 89.8 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -49.4 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | T30 T31 L36 S37 V38 | T30-V34 WeakPolarHBondContact O-CG2 3.22Å; T30-V34 PolarHBondContact O-N 3.08Å; T31-V34 PolarHBondContact O-N 2.99Å; V34-L36 PolarHBondContact O-N 3.27Å; V34-S37 PolarHBondContact O-N 3.04Å; V34-V38 HydrophobicContact CG1-CG2 4.48Å; V34-V38 WeakPolarHBondContact O-CG2 3.15Å; V34-V38 PolarHBondContact O-N 3.47Å |
| 35 | I | 91.7 | Very high | 89.2 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 178.4 | -69 | 166.2 | 0 | 0 | 0 | 110.8 | T31 W32 S37 V38 V39 V134 | T31-I35 HydrophobicContact CG2-CD1 3.97Å; T31-I35 VanDerWaalsContact O-CG1 3.32Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.41Å; W32-I35 HydrophobicContact CE3-CD1 4.47Å; W32-I35 HydrophobicContact CE3-CG2 4.44Å; W32-I35 HydrophobicContact CZ3-CG2 4.46Å; W32-I35 PolarHBondContact O-N 3.24Å; I35-S37 PolarHBondContact O-N 3.19Å; I35-V38 PolarHBondContact O-N 3.36Å; I35-V39 WeakPolarHBondContact O-CB 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.91Å; I35-V134 HydrophobicContact CG2-CG1 3.93Å; I35-V134 HydrophobicContact CG2-CG2 4.43Å |
| 36 | L | 90.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | -178.9 | -174.8 | 60.3 | 0 | 0 | 0 | 112.3 | W32 V34 V39 L40 Y62 L63 L66 M138 | W32-L36 WeakPolarHBondContact O-CB 3.37Å; W32-L36 PolarHBondContact O-N 3.46Å; V34-L36 PolarHBondContact O-N 3.27Å; L36-V39 PolarHBondContact O-N 2.83Å; L36-L40 HydrophobicContact CD1-CD1 3.87Å; L36-L40 HydrophobicContact CD1-CG 4.03Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 3.75Å; L36-L40 HydrophobicContact CG-CG 4.32Å; L36-L40 WeakPolarHBondContact O-CB 3.34Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.18Å; L36-L40 PolarHBondContact O-N 3.43Å; L36-Y62 HydrophobicContact CD2-CD1 3.87Å; L36-L63 HydrophobicContact CB-CD1 4.38Å; L36-L63 HydrophobicContact CD2-CB 4.19Å; L36-L63 HydrophobicContact CD2-CD1 4.18Å; L36-L63 HydrophobicContact CG-CD1 4.32Å; L36-L66 HydrophobicContact CD2-CD1 4.14Å; L36-M138 HydrophobicContact CD1-SD 4.32Å; L36-M138 HydrophobicContact CD2-SD 4.08Å |
| 37 | S | 90.8 | Very high | 87.4 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | F33 V34 I35 V39 L40 F41 L63 | F33-S37 VanDerWaalsContact O-CB 3.26Å; F33-S37 WeakPolarHBondContact O-CB 3.43Å; F33-S37 PolarHBondContact O-N 3.26Å; F33-S37 PolarHBondContact O-OG 2.8Å; V34-S37 PolarHBondContact O-N 3.04Å; I35-S37 PolarHBondContact O-N 3.19Å; S37-V39 VanDerWaalsContact C-N 3.27Å; S37-V39 PolarHBondContact O-N 2.91Å; S37-L40 PolarHBondContact O-N 3.2Å; S37-F41 WeakPolarHBondContact O-CB 3.35Å; S37-F41 WeakPolarHBondContact O-CD2 3.39Å; S37-F41 PolarHBondContact O-N 3.36Å; S37-L63 WeakPolarHBondContact OG-CD1 3.37Å |
| 38 | V | 90.7 | Very high | 86.3 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V34 I35 G42 | V34-V38 HydrophobicContact CG1-CG2 4.48Å; V34-V38 WeakPolarHBondContact O-CG2 3.15Å; V34-V38 PolarHBondContact O-N 3.47Å; I35-V38 PolarHBondContact O-N 3.36Å; V38-G42 WeakPolarHBondContact O-CA 3.28Å; V38-G42 PolarHBondContact O-N 2.97Å |
| 39 | V | 87.5 | Confident | 85.6 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.6 | -53.8 | 175.3 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | I35 L36 S37 F41 L43 Y45 A131 V134 | I35-V39 WeakPolarHBondContact O-CB 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.91Å; L36-V39 PolarHBondContact O-N 2.83Å; S37-V39 VanDerWaalsContact C-N 3.27Å; S37-V39 PolarHBondContact O-N 2.91Å; V39-F41 PolarHBondContact O-N 3.03Å; V39-L43 HydrophobicContact CG1-CD1 4.13Å; V39-L43 WeakPolarHBondContact O-CB 3.07Å; V39-L43 WeakPolarHBondContact O-CG 3.43Å; V39-L43 PolarHBondContact O-N 2.82Å; V39-Y45 WeakPolarHBondContact CG1-OH 3.1Å; V39-Y45 PolarHBondContact O-OH 2.89Å; V39-Y45 VanDerWaalsContact O-OH 3.09Å; V39-A131 HydrophobicContact CG1-CB 4.35Å; V39-V134 HydrophobicContact CG2-CG1 4.3Å; V39-V134 HydrophobicContact CG2-CG2 4.1Å |
| 40 | L | 85.6 | Confident | 84.9 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.089 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.6 | -28.3 | -174.5 | -72.1 | 171.4 | 0 | 0 | 0 | 115.1 | L36 S37 V56 G59 | L36-L40 HydrophobicContact CD1-CD1 3.87Å; L36-L40 HydrophobicContact CD1-CG 4.03Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 3.75Å; L36-L40 HydrophobicContact CG-CG 4.32Å; L36-L40 WeakPolarHBondContact O-CB 3.34Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.18Å; L36-L40 PolarHBondContact O-N 3.43Å; S37-L40 PolarHBondContact O-N 3.2Å; L40-V56 HydrophobicContact CD2-CB 4.48Å; L40-V56 HydrophobicContact CD2-CG1 4.38Å; L40-V56 HydrophobicContact CD2-CG2 4.48Å; L40-G59 VanDerWaalsContact CD1-C 3.46Å |
| 41 | F | 85.8 | Confident | 84.1 | Confident | 157 Ų | 157 | 69.3 Ų | 69.3 | 69% | 0.689 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -110.1 | -15.1 | -178.3 | -61.8 | -69.6 | 0 | 0 | 0 | 113.9 | S37 V39 L63 | S37-F41 WeakPolarHBondContact O-CB 3.35Å; S37-F41 WeakPolarHBondContact O-CD2 3.39Å; S37-F41 PolarHBondContact O-N 3.36Å; V39-F41 PolarHBondContact O-N 3.03Å; F41-L63 HydrophobicContact CE2-CD2 4.21Å |
| 42 | G | 81 | Confident | 83.4 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -100.1 | -15.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V38 | V38-G42 WeakPolarHBondContact O-CA 3.28Å; V38-G42 PolarHBondContact O-N 2.97Å |
| 43 | L | 81.7 | Confident | 82.9 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -98.9 | 146.5 | 174.1 | -59.4 | -177.9 | 0 | 0 | 0 | 111.6 | V39 Y45 T130 | V39-L43 HydrophobicContact CG1-CD1 4.13Å; V39-L43 WeakPolarHBondContact O-CB 3.07Å; V39-L43 WeakPolarHBondContact O-CG 3.43Å; V39-L43 PolarHBondContact O-N 2.82Å; L43-Y45 HydrophobicContact CB-CD2 4.47Å; L43-Y45 HydrophobicContact CB-CE2 3.9Å; L43-Y45 WeakPolarHBondContact O-CD2 3.36Å; L43-T130 HydrophobicContact CD1-CG2 4.34Å |
| 44 | V | 77.7 | Confident | 82.3 | Confident | 142 Ų | 142 | 68 Ų | 68 | 86% | 0.861 | 39% | 0.387 | S | S | * | . | trans | -91.6 | 115.5 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | Y | 78.7 | Confident | 81.8 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | trans | -99.6 | 144.9 | -178.5 | -65.2 | -83.5 | 0 | 0 | 0 | 111.7 | V39 L43 P47 S52 V56 A131 | V39-Y45 WeakPolarHBondContact CG1-OH 3.1Å; V39-Y45 PolarHBondContact O-OH 2.89Å; V39-Y45 VanDerWaalsContact O-OH 3.09Å; L43-Y45 HydrophobicContact CB-CD2 4.47Å; L43-Y45 HydrophobicContact CB-CE2 3.9Å; L43-Y45 WeakPolarHBondContact O-CD2 3.36Å; Y45-P47 VanDerWaalsContact O-CD 3.27Å; Y45-P47 WeakPolarHBondContact O-CD 3.17Å; Y45-S52 WeakPolarHBondContact CD1-OG 3.46Å; Y45-V56 HydrophobicContact CD1-CG2 3.6Å; Y45-V56 HydrophobicContact CD2-CG2 3.61Å; Y45-V56 HydrophobicContact CE1-CG2 3.81Å; Y45-V56 HydrophobicContact CE2-CG2 3.84Å; Y45-V56 HydrophobicContact CG-CG2 3.46Å; Y45-V56 VanDerWaalsContact CG-CG2 3.46Å; Y45-A131 HydrophobicContact CE1-CB 4.13Å | ||
| 46 | N | 75.3 | Confident | 81.4 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | trans | -80.2 | 109.7 | 179.8 | -82.8 | -23.4 | 0 | 0 | 0 | 111.2 | H48 E49 | N46-H48 PolarHBondContact O-N 2.82Å; N46-H48 VanDerWaalsContact O-N 3.1Å; N46-E49 HydrophobicContact CB-CB 4.35Å; N46-E49 HydrophobicContact CB-CG 4.25Å; N46-E49 PolarHBondContact ND2-OE1 2.93Å; N46-E49 VanDerWaalsContact ND2-OE1 3.09Å; N46-E49 PolarHBondContact O-N 2.79Å | ||
| 47 | P | 71.6 | Confident | 81.1 | Confident | 97 Ų | 97 | 65 Ų | 65 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.3 | -176.6 | 31.3 | -37.3 | 0 | 0 | 0 | 113.8 | Y45 | Y45-P47 VanDerWaalsContact O-CD 3.27Å; Y45-P47 WeakPolarHBondContact O-CD 3.17Å |
| 48 | H | 70.6 | Confident | 80.9 | Confident | 182 Ų | 182 | 64.4 Ų | 64.4 | 84% | 0.843 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -11.4 | 177.6 | -59.7 | -57.7 | 0 | 0 | 0 | 113.4 | N46 | N46-H48 PolarHBondContact O-N 2.82Å; N46-H48 VanDerWaalsContact O-N 3.1Å |
| 49 | E | 77.9 | Confident | 80.8 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -96.7 | 113.2 | 177 | -73.8 | -176.3 | -136.5 | 0 | 0 | 110.8 | N46 C51 S52 L53 | N46-E49 HydrophobicContact CB-CB 4.35Å; N46-E49 HydrophobicContact CB-CG 4.25Å; N46-E49 PolarHBondContact ND2-OE1 2.93Å; N46-E49 VanDerWaalsContact ND2-OE1 3.09Å; N46-E49 PolarHBondContact O-N 2.79Å; E49-C51 PolarHBondContact O-N 3.21Å; E49-C51 VanDerWaalsContact O-N 3.1Å; E49-S52 PolarHBondContact O-N 3.34Å; E49-L53 PolarHBondContact O-N 2.87Å | ||
| 50 | A | 77.4 | Confident | 80.9 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.8 | -25.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | N54 | A50-N54 VanDerWaalsContact O-CB 3.31Å; A50-N54 WeakPolarHBondContact O-CB 3.35Å; A50-N54 VanDerWaalsContact O-CG 3.27Å; A50-N54 PolarHBondContact O-N 2.96Å; A50-N54 VanDerWaalsContact O-N 3.13Å; A50-N54 PolarHBondContact O-ND2 3.24Å |
| 51 | C | 78.8 | Confident | 81.1 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.081 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -52 | 172.4 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | E49 L55 Y122 C126 | E49-C51 PolarHBondContact O-N 3.21Å; E49-C51 VanDerWaalsContact O-N 3.1Å; C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 PolarHBondContact O-N 3.47Å; C51-Y122 HydrophobicContact CB-CD1 4.28Å; C51-C126 HydrophobicContact CB-CB 4.35Å; C51-C126 WeakPolarHBondContact CB-SG 3.44Å; C51-C126 WeakPolarHBondContact SG-CB 3.43Å; C51-C126 CovalentContact SG-SG 2.03Å; C51-C126 PolarHBondContact SG-SG 2.89Å |
| 52 | S | 78.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | -177.5 | -155.1 | 0 | 0 | 0 | 0 | 111.2 | Y45 E49 L55 V56 D128 | Y45-S52 WeakPolarHBondContact CD1-OG 3.46Å; E49-S52 PolarHBondContact O-N 3.34Å; S52-L55 WeakPolarHBondContact O-CB 3.48Å; S52-L55 PolarHBondContact O-N 2.98Å; S52-V56 WeakPolarHBondContact O-CG2 3.4Å; S52-V56 PolarHBondContact O-N 3Å; S52-D128 WeakPolarHBondContact CB-OD2 3.34Å; S52-D128 PolarHBondContact OG-OD2 3.05Å |
| 53 | L | 81.3 | Confident | 81.8 | Confident | 84 Ų | 84 | 57.6 Ų | 57.6 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 174.5 | -175.7 | 64.4 | 0 | 0 | 0 | 112.5 | E49 L55 V56 D57 | E49-L53 PolarHBondContact O-N 2.87Å; L53-L55 PolarHBondContact O-N 3.3Å; L53-V56 PolarHBondContact O-N 3.1Å; L53-D57 PolarHBondContact O-N 2.96Å |
| 54 | N | 82.3 | Confident | 82.4 | Confident | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -34.2 | 177.6 | -77.5 | -38.8 | 0 | 0 | 0 | 112.2 | A50 H58 | A50-N54 VanDerWaalsContact O-CB 3.31Å; A50-N54 WeakPolarHBondContact O-CB 3.35Å; A50-N54 VanDerWaalsContact O-CG 3.27Å; A50-N54 PolarHBondContact O-N 2.96Å; A50-N54 VanDerWaalsContact O-N 3.13Å; A50-N54 PolarHBondContact O-ND2 3.24Å; N54-H58 VanDerWaalsContact O-CB 3.24Å; N54-H58 WeakPolarHBondContact O-CB 3.22Å; N54-H58 PolarHBondContact O-N 3.26Å |
| 55 | L | 81.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.7 | -178.5 | 54.9 | 0 | 0 | 0 | 112.1 | C51 S52 L53 H58 G59 W118 A131 T135 | C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 PolarHBondContact O-N 3.47Å; S52-L55 WeakPolarHBondContact O-CB 3.48Å; S52-L55 PolarHBondContact O-N 2.98Å; L53-L55 PolarHBondContact O-N 3.3Å; L55-H58 PolarHBondContact O-N 2.98Å; L55-G59 PolarHBondContact O-N 2.75Å; L55-W118 HydrophobicContact CB-CH2 4.4Å; L55-W118 HydrophobicContact CB-CZ2 3.71Å; L55-W118 HydrophobicContact CD1-CD2 4.41Å; L55-W118 HydrophobicContact CD1-CE3 4.31Å; L55-W118 HydrophobicContact CD1-CH2 3.69Å; L55-W118 HydrophobicContact CD1-CZ2 3.76Å; L55-W118 HydrophobicContact CD1-CZ3 3.96Å; L55-W118 HydrophobicContact CD2-CH2 3.82Å; L55-W118 HydrophobicContact CD2-CZ2 3.89Å; L55-W118 HydrophobicContact CG-CH2 4.18Å; L55-W118 HydrophobicContact CG-CZ2 3.99Å; L55-A131 HydrophobicContact CD2-CB 3.7Å; L55-T135 HydrophobicContact CD1-CG2 4.23Å; L55-T135 WeakPolarHBondContact CD1-OG1 3.45Å |
| 56 | V | 84.1 | Confident | 83.8 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | L40 Y45 S52 L53 G59 R60 | L40-V56 HydrophobicContact CD2-CB 4.48Å; L40-V56 HydrophobicContact CD2-CG1 4.38Å; L40-V56 HydrophobicContact CD2-CG2 4.48Å; Y45-V56 HydrophobicContact CD1-CG2 3.6Å; Y45-V56 HydrophobicContact CD2-CG2 3.61Å; Y45-V56 HydrophobicContact CE1-CG2 3.81Å; Y45-V56 HydrophobicContact CE2-CG2 3.84Å; Y45-V56 HydrophobicContact CG-CG2 3.46Å; Y45-V56 VanDerWaalsContact CG-CG2 3.46Å; S52-V56 WeakPolarHBondContact O-CG2 3.4Å; S52-V56 PolarHBondContact O-N 3Å; L53-V56 PolarHBondContact O-N 3.1Å; V56-G59 PolarHBondContact O-N 2.82Å; V56-R60 VanDerWaalsContact O-CG 3.28Å; V56-R60 WeakPolarHBondContact O-CG 3.32Å; V56-R60 PolarHBondContact O-N 3.15Å |
| 57 | D | 84.7 | Confident | 84.7 | Confident | 73 Ų | 73 | 48 Ų | 48 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.3 | -32.6 | 178.7 | -72.3 | -27.5 | 0 | 0 | 0 | 112.9 | L53 R60 G61 | L53-D57 PolarHBondContact O-N 2.96Å; D57-R60 PolarHBondContact O-N 3.21Å; D57-R60 WeakPolarHBondContact OD1-CD 3.47Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 3.31Å; D57-R60 IonicContact OD1-NH1 3.96Å; D57-R60 PolarHBondContact OD1-NH1 2.92Å; D57-G61 PolarHBondContact O-N 3.35Å |
| 58 | H | 86.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 168.2 | -176.1 | 72.9 | 0 | 0 | 0 | 111.8 | N54 L55 G61 Y62 Y111 | N54-H58 VanDerWaalsContact O-CB 3.24Å; N54-H58 WeakPolarHBondContact O-CB 3.22Å; N54-H58 PolarHBondContact O-N 3.26Å; L55-H58 PolarHBondContact O-N 2.98Å; H58-G61 PolarHBondContact O-N 3.45Å; H58-Y62 PolarHBondContact O-N 3.24Å; H58-Y111 WeakPolarHBondContact CA-OH 3.46Å; H58-Y111 AromaticContact CE1-CD1 3.52Å; H58-Y111 AromaticContact CE1-CE1 3.24Å; H58-Y111 WeakPolarHBondContact CE1-CE1 3.46Å; H58-Y111 AromaticContact CG-CE1 3.98Å; H58-Y111 AromaticContact ND1-CD1 3.96Å; H58-Y111 AromaticContact ND1-CE1 3.23Å; H58-Y111 WeakPolarHBondContact ND1-CE1 3.37Å; H58-Y111 AromaticContact ND1-CZ 3.72Å; H58-Y111 AromaticContact NE2-CE1 3.97Å; H58-Y111 WeakPolarHBondContact O-CE1 3.13Å; H58-Y111 PolarHBondContact O-OH 3.22Å; H58-Y111 VanDerWaalsContact O-OH 3.05Å |
| 59 | G | 87.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L40 L55 V56 G61 Y62 L63 | L40-G59 VanDerWaalsContact CD1-C 3.46Å; L55-G59 PolarHBondContact O-N 2.75Å; V56-G59 PolarHBondContact O-N 2.82Å; G59-G61 PolarHBondContact O-N 3.48Å; G59-Y62 PolarHBondContact O-N 2.99Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 3.36Å |
| 60 | R | 89.4 | Confident | 87.6 | Confident | 134 Ų | 134 | 36 Ų | 36 | 51% | 0.506 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 176.2 | -74.8 | 165.2 | 176 | 162.8 | 0 | 112.2 | V56 D57 L63 G64 | V56-R60 VanDerWaalsContact O-CG 3.28Å; V56-R60 WeakPolarHBondContact O-CG 3.32Å; V56-R60 PolarHBondContact O-N 3.15Å; D57-R60 PolarHBondContact O-N 3.21Å; D57-R60 WeakPolarHBondContact OD1-CD 3.47Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 3.31Å; D57-R60 IonicContact OD1-NH1 3.96Å; D57-R60 PolarHBondContact OD1-NH1 2.92Å; R60-L63 PolarHBondContact O-N 2.67Å; R60-G64 PolarHBondContact O-N 3.46Å |
| 61 | G | 90.3 | Very high | 88.5 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D57 H58 G59 L63 G64 I65 Y111 | D57-G61 PolarHBondContact O-N 3.35Å; H58-G61 PolarHBondContact O-N 3.45Å; G59-G61 PolarHBondContact O-N 3.48Å; G61-L63 VanDerWaalsContact C-N 3.35Å; G61-L63 PolarHBondContact O-N 3.47Å; G61-G64 PolarHBondContact O-N 3.33Å; G61-I65 PolarHBondContact O-N 3.04Å; G61-Y111 WeakPolarHBondContact CA-OH 3.42Å |
| 62 | Y | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 176.7 | -164 | -106.8 | 0 | 0 | 0 | 113.2 | L36 H58 G59 G64 I65 L66 Y111 M138 N142 | L36-Y62 HydrophobicContact CD2-CD1 3.87Å; H58-Y62 PolarHBondContact O-N 3.24Å; G59-Y62 PolarHBondContact O-N 2.99Å; Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 3.37Å; Y62-I65 HydrophobicContact CD2-CD1 4.39Å; Y62-I65 WeakPolarHBondContact O-CB 3.39Å; Y62-I65 PolarHBondContact O-N 3.33Å; Y62-I65 VanDerWaalsContact O-N 3.07Å; Y62-L66 HydrophobicContact CD1-CD1 3.74Å; Y62-L66 HydrophobicContact CD1-CD2 4.47Å; Y62-L66 HydrophobicContact CD1-CG 3.84Å; Y62-L66 HydrophobicContact CE1-CD1 3.69Å; Y62-L66 HydrophobicContact CE1-CD2 3.75Å; Y62-L66 HydrophobicContact CE1-CG 3.62Å; Y62-L66 PolarHBondContact O-N 2.62Å; Y62-Y111 AromaticContact CD2-CD1 3.74Å; Y62-Y111 HydrophobicContact CD2-CD1 3.74Å; Y62-Y111 HydrophobicContact CD2-CE1 4.3Å; Y62-Y111 HydrophobicContact CG-CD1 4.42Å; Y62-M138 HydrophobicContact CD1-CE 3.78Å; Y62-M138 HydrophobicContact CD1-CG 4.03Å; Y62-M138 HydrophobicContact CD1-SD 3.3Å; Y62-M138 WeakPolarHBondContact CD1-SD 3.43Å; Y62-M138 HydrophobicContact CE1-CE 4.15Å; Y62-M138 HydrophobicContact CE1-CG 3.56Å; Y62-M138 HydrophobicContact CE1-SD 3.51Å; Y62-M138 VanDerWaalsContact CE1-SD 3.51Å; Y62-M138 HydrophobicContact CG-CE 3.98Å; Y62-M138 HydrophobicContact CG-SD 4.11Å; Y62-N142 WeakPolarHBondContact CE2-ND2 3.47Å; Y62-N142 PolarHBondContact OH-ND2 3.35Å |
| 63 | L | 91.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 174.4 | -167 | 71.2 | 0 | 0 | 0 | 111.9 | F33 L36 S37 F41 G59 R60 G61 L67 | F33-L63 HydrophobicContact CD1-CD1 4.48Å; F33-L63 HydrophobicContact CD2-CD1 3.43Å; F33-L63 VanDerWaalsContact CD2-CD1 3.43Å; F33-L63 HydrophobicContact CD2-CG 4.08Å; F33-L63 HydrophobicContact CE2-CD1 3.48Å; F33-L63 VanDerWaalsContact CE2-CD1 3.48Å; F33-L63 HydrophobicContact CE2-CG 3.69Å; F33-L63 HydrophobicContact CG-CD1 3.95Å; F33-L63 HydrophobicContact CZ-CD1 4.05Å; F33-L63 HydrophobicContact CZ-CG 4.3Å; L36-L63 HydrophobicContact CB-CD1 4.38Å; L36-L63 HydrophobicContact CD2-CB 4.19Å; L36-L63 HydrophobicContact CD2-CD1 4.18Å; L36-L63 HydrophobicContact CG-CD1 4.32Å; S37-L63 WeakPolarHBondContact OG-CD1 3.37Å; F41-L63 HydrophobicContact CE2-CD2 4.21Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 3.36Å; R60-L63 PolarHBondContact O-N 2.67Å; G61-L63 VanDerWaalsContact C-N 3.35Å; G61-L63 PolarHBondContact O-N 3.47Å; L63-L67 PolarHBondContact O-N 3.08Å |
| 64 | G | 93.2 | Very high | 90.5 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 38% | 0.381 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.4 | -33.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R60 G61 Y62 S68 | R60-G64 PolarHBondContact O-N 3.46Å; G61-G64 PolarHBondContact O-N 3.33Å; Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 3.37Å; G64-S68 WeakPolarHBondContact O-CB 3.49Å; G64-S68 PolarHBondContact O-N 3.31Å; G64-S68 VanDerWaalsContact O-N 3.1Å; G64-S68 PolarHBondContact O-OG 3.18Å |
| 65 | I | 92.7 | Very high | 91 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -48.5 | 172.8 | -64.1 | 171.2 | 0 | 0 | 0 | 110.2 | G61 Y62 L67 S68 C69 I107 E108 Y111 | G61-I65 PolarHBondContact O-N 3.04Å; Y62-I65 HydrophobicContact CD2-CD1 4.39Å; Y62-I65 WeakPolarHBondContact O-CB 3.39Å; Y62-I65 PolarHBondContact O-N 3.33Å; Y62-I65 VanDerWaalsContact O-N 3.07Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.31Å; I65-S68 CarbonylContact O-C 3.33Å; I65-S68 WeakPolarHBondContact O-CA 3.43Å; I65-S68 WeakPolarHBondContact O-CB 3.44Å; I65-S68 PolarHBondContact O-N 2.89Å; I65-C69 PolarHBondContact O-N 2.86Å; I65-C69 PolarHBondContact O-SG 3.48Å; I65-C69 VanDerWaalsContact O-SG 3.34Å; I65-I107 HydrophobicContact CD1-CG2 4.09Å; I65-I107 HydrophobicContact CG1-CG2 4.39Å; I65-E108 HydrophobicContact CG2-CB 4.21Å; I65-E108 HydrophobicContact CG2-CG 4.44Å; I65-Y111 HydrophobicContact CD1-CD1 4.05Å; I65-Y111 HydrophobicContact CD1-CD2 3.54Å; I65-Y111 HydrophobicContact CD1-CE2 4.2Å; I65-Y111 HydrophobicContact CD1-CG 3.45Å; I65-Y111 VanDerWaalsContact CD1-CG 3.45Å |
| 66 | L | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 176.6 | -72.6 | 175.3 | 0 | 0 | 0 | 112.2 | H29 W32 F33 L36 Y62 S68 C69 M70 | H29-L66 HydrophobicContact CB-CD2 4.13Å; W32-L66 HydrophobicContact CB-CD1 4.18Å; F33-L66 HydrophobicContact CB-CB 4.49Å; F33-L66 HydrophobicContact CB-CD1 4.28Å; F33-L66 HydrophobicContact CD2-CB 4.09Å; L36-L66 HydrophobicContact CD2-CD1 4.14Å; Y62-L66 HydrophobicContact CD1-CD1 3.74Å; Y62-L66 HydrophobicContact CD1-CD2 4.47Å; Y62-L66 HydrophobicContact CD1-CG 3.84Å; Y62-L66 HydrophobicContact CE1-CD1 3.69Å; Y62-L66 HydrophobicContact CE1-CD2 3.75Å; Y62-L66 HydrophobicContact CE1-CG 3.62Å; Y62-L66 PolarHBondContact O-N 2.62Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.37Å; L66-C69 WeakPolarHBondContact O-CB 3.21Å; L66-C69 PolarHBondContact O-N 3.48Å; L66-M70 WeakPolarHBondContact O-CB 3.46Å; L66-M70 WeakPolarHBondContact O-CG 3.16Å; L66-M70 PolarHBondContact O-N 2.84Å |
| 67 | L | 94.4 | Very high | 91.8 | Very high | 82 Ų | 82 | 37.3 Ų | 37.3 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.7 | -178.3 | 61.1 | 0 | 0 | 0 | 111.8 | F33 L63 I65 M70 I71 | F33-L67 HydrophobicContact CE2-CB 4.1Å; L63-L67 PolarHBondContact O-N 3.08Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.31Å; L67-M70 PolarHBondContact O-N 2.91Å; L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.39Å |
| 68 | S | 94 | Very high | 92.1 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | G64 I65 L66 A72 | G64-S68 WeakPolarHBondContact O-CB 3.49Å; G64-S68 PolarHBondContact O-N 3.31Å; G64-S68 VanDerWaalsContact O-N 3.1Å; G64-S68 PolarHBondContact O-OG 3.18Å; I65-S68 CarbonylContact O-C 3.33Å; I65-S68 WeakPolarHBondContact O-CA 3.43Å; I65-S68 WeakPolarHBondContact O-CB 3.44Å; I65-S68 PolarHBondContact O-N 2.89Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.37Å; S68-A72 WeakPolarHBondContact O-CB 3.36Å; S68-A72 PolarHBondContact O-N 3.42Å; S68-A72 VanDerWaalsContact O-N 3.08Å |
| 69 | C | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 172.3 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | I65 L66 I71 A72 E73 R101 I104 | I65-C69 PolarHBondContact O-N 2.86Å; I65-C69 PolarHBondContact O-SG 3.48Å; I65-C69 VanDerWaalsContact O-SG 3.34Å; L66-C69 WeakPolarHBondContact O-CB 3.21Å; L66-C69 PolarHBondContact O-N 3.48Å; C69-I71 PolarHBondContact O-N 3.1Å; C69-A72 PolarHBondContact O-N 2.83Å; C69-E73 WeakPolarHBondContact O-CB 3.45Å; C69-E73 VanDerWaalsContact O-CD 3.29Å; C69-E73 WeakPolarHBondContact O-CG 3.3Å; C69-E73 PolarHBondContact O-N 3.12Å; C69-R101 VanDerWaalsContact SG-CZ 3.56Å; C69-R101 PolarHBondContact SG-NH2 3.25Å; C69-R101 VanDerWaalsContact SG-NH2 3.39Å; C69-I104 WeakPolarHBondContact SG-CG2 3.38Å |
| 70 | M | 94.3 | Very high | 92.2 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 179.3 | -74 | 173.2 | 63.5 | 0 | 0 | 112.9 | F26 H29 T30 F33 L66 L67 E73 M74 | F26-M70 HydrophobicContact CD2-CB 4.07Å; F26-M70 HydrophobicContact CD2-CG 4.11Å; F26-M70 HydrophobicContact CE2-CB 3.9Å; F26-M70 HydrophobicContact CE2-CE 3.83Å; F26-M70 HydrophobicContact CE2-CG 4.09Å; F26-M70 HydrophobicContact CZ-CE 4.05Å; H29-M70 HydrophobicContact CB-CG 3.85Å; T30-M70 HydrophobicContact CG2-CE 4.34Å; T30-M70 WeakPolarHBondContact OG1-CE 3.47Å; F33-M70 HydrophobicContact CB-SD 4.08Å; F33-M70 HydrophobicContact CD2-SD 4.39Å; F33-M70 HydrophobicContact CG-SD 4.24Å; L66-M70 WeakPolarHBondContact O-CB 3.46Å; L66-M70 WeakPolarHBondContact O-CG 3.16Å; L66-M70 PolarHBondContact O-N 2.84Å; L67-M70 PolarHBondContact O-N 2.91Å; M70-E73 PolarHBondContact O-N 3.49Å; M70-M74 WeakPolarHBondContact O-CB 3.42Å; M70-M74 WeakPolarHBondContact O-CG 3.38Å; M70-M74 PolarHBondContact O-N 3.47Å |
| 71 | I | 95.1 | Very high | 92 | Very high | 109 Ų | 109 | 37.6 Ų | 37.6 | 56% | 0.559 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.5 | -45 | 176.1 | -69.2 | 164.7 | 0 | 0 | 0 | 110.9 | L67 C69 A75 | L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.39Å; C69-I71 PolarHBondContact O-N 3.1Å; I71-A75 PolarHBondContact O-N 2.89Å |
| 72 | A | 93.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S68 C69 A75 I76 R101 I104 | S68-A72 WeakPolarHBondContact O-CB 3.36Å; S68-A72 PolarHBondContact O-N 3.42Å; S68-A72 VanDerWaalsContact O-N 3.08Å; C69-A72 PolarHBondContact O-N 2.83Å; A72-A75 PolarHBondContact O-N 3.04Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.49Å; A72-R101 HydrophobicContact CB-CB 4.36Å; A72-I104 HydrophobicContact CB-CD1 3.9Å |
| 73 | E | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -40.9 | 178 | -76.9 | 149.1 | -158.5 | 0 | 0 | 111.8 | L25 F26 H29 C69 M70 A75 I76 I77 R101 | L25-E73 HydrophobicContact CB-CG 4.45Å; F26-E73 HydrophobicContact CB-CB 4.27Å; F26-E73 PolarHBondContact N-OE2 2.96Å; H29-E73 IonicContact CE1-OE1 3.97Å; H29-E73 PolarHBondContact CE1-OE1 3.14Å; H29-E73 VanDerWaalsContact CE1-OE1 3.23Å; H29-E73 IonicContact CE1-OE2 3.96Å; H29-E73 IonicContact CG-OE2 3.42Å; H29-E73 IonicContact ND1-OE1 3.51Å; H29-E73 PolarHBondContact ND1-OE1 2.96Å; H29-E73 IonicContact ND1-OE2 2.83Å; H29-E73 PolarHBondContact ND1-OE2 3.42Å; C69-E73 WeakPolarHBondContact O-CB 3.45Å; C69-E73 VanDerWaalsContact O-CD 3.29Å; C69-E73 WeakPolarHBondContact O-CG 3.3Å; C69-E73 PolarHBondContact O-N 3.12Å; M70-E73 PolarHBondContact O-N 3.49Å; E73-A75 VanDerWaalsContact C-N 3.3Å; E73-A75 PolarHBondContact O-N 2.89Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-I76 VanDerWaalsContact O-N 3.16Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.29Å; E73-I77 PolarHBondContact O-N 3.29Å; E73-R101 IonicContact OE1-CZ 2.77Å; E73-R101 VanDerWaalsContact OE1-CZ 3.25Å; E73-R101 IonicContact OE1-NE 3.91Å; E73-R101 PolarHBondContact OE1-NE 2.88Å; E73-R101 IonicContact OE1-NH2 3.02Å; E73-R101 PolarHBondContact OE1-NH2 2.9Å |
| 74 | M | 93.5 | Very high | 90.7 | Very high | 96 Ų | 96 | 41 Ų | 41 | 47% | 0.473 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 170.6 | -75.3 | -63.3 | -68.6 | 0 | 0 | 112.5 | F26 M70 I77 W78 | F26-M74 HydrophobicContact CD1-SD 4.46Å; F26-M74 HydrophobicContact CD2-CG 3.74Å; F26-M74 HydrophobicContact CD2-SD 4.01Å; F26-M74 HydrophobicContact CE1-SD 4.2Å; F26-M74 HydrophobicContact CE2-CG 3.38Å; F26-M74 HydrophobicContact CE2-SD 3.72Å; F26-M74 HydrophobicContact CG-SD 4.38Å; F26-M74 HydrophobicContact CZ-CG 4.03Å; F26-M74 HydrophobicContact CZ-SD 3.83Å; M70-M74 WeakPolarHBondContact O-CB 3.42Å; M70-M74 WeakPolarHBondContact O-CG 3.38Å; M70-M74 PolarHBondContact O-N 3.47Å; M74-I77 PolarHBondContact O-N 3.08Å; M74-I77 HydrophobicContact SD-CD1 4.26Å; M74-W78 VanDerWaalsContact O-CB 3.25Å; M74-W78 WeakPolarHBondContact O-CB 3.35Å; M74-W78 PolarHBondContact O-N 3.2Å |
| 75 | A | 93.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I71 A72 E73 L79 V97 | I71-A75 PolarHBondContact O-N 2.89Å; A72-A75 PolarHBondContact O-N 3.04Å; E73-A75 VanDerWaalsContact C-N 3.3Å; E73-A75 PolarHBondContact O-N 2.89Å; A75-L79 WeakPolarHBondContact O-CB 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 2.95Å; A75-L79 VanDerWaalsContact O-N 3.09Å; A75-V97 HydrophobicContact CB-CG1 3.99Å |
| 76 | I | 91.6 | Very high | 89.1 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -52.5 | 172.8 | -67.4 | 165.1 | 0 | 0 | 0 | 109.9 | L18 A22 A72 E73 W78 L79 S80 M94 V97 L98 R101 | L18-I76 HydrophobicContact CB-CG2 3.84Å; L18-I76 HydrophobicContact CD1-CG2 4.5Å; A22-I76 HydrophobicContact CB-CB 4.21Å; A22-I76 HydrophobicContact CB-CG2 3.78Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.49Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-I76 VanDerWaalsContact O-N 3.16Å; I76-W78 PolarHBondContact O-N 2.93Å; I76-L79 PolarHBondContact O-N 3.25Å; I76-S80 VanDerWaalsContact O-CB 3.26Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 2.92Å; I76-S80 PolarHBondContact O-OG 2.88Å; I76-S80 VanDerWaalsContact O-OG 3.09Å; I76-M94 HydrophobicContact CG1-SD 4.36Å; I76-M94 HydrophobicContact CG2-CE 4.24Å; I76-M94 HydrophobicContact CG2-SD 4.31Å; I76-V97 HydrophobicContact CD1-CG1 4.5Å; I76-V97 HydrophobicContact CG1-CG1 3.68Å; I76-L98 HydrophobicContact CD1-CD2 4.43Å; I76-R101 HydrophobicContact CD1-CB 4.31Å; I76-R101 HydrophobicContact CD1-CG 4.38Å |
| 77 | I | 91 | Very high | 88.4 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.5 | -51.4 | 179.3 | -65.6 | 162.5 | 0 | 0 | 0 | 110.5 | A22 I23 F26 E73 M74 L79 S80 M81 | A22-I77 HydrophobicContact CB-CD1 4.26Å; A22-I77 HydrophobicContact CB-CG1 3.61Å; I23-I77 HydrophobicContact CG1-CD1 3.81Å; I23-I77 HydrophobicContact CG1-CG1 3.98Å; I23-I77 HydrophobicContact CG1-CG2 4.35Å; F26-I77 HydrophobicContact CB-CD1 4.2Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.29Å; E73-I77 PolarHBondContact O-N 3.29Å; M74-I77 PolarHBondContact O-N 3.08Å; M74-I77 HydrophobicContact SD-CD1 4.26Å; I77-L79 PolarHBondContact O-N 3.02Å; I77-S80 PolarHBondContact O-N 3.04Å; I77-M81 HydrophobicContact CG2-CE 3.8Å; I77-M81 HydrophobicContact CG2-CG 4.47Å; I77-M81 HydrophobicContact CG2-SD 4.1Å; I77-M81 WeakPolarHBondContact O-CB 3.47Å; I77-M81 VanDerWaalsContact O-CG 3.27Å; I77-M81 WeakPolarHBondContact O-CG 3.24Å; I77-M81 PolarHBondContact O-N 2.85Å |
| 78 | W | 90.4 | Very high | 87.7 | Confident | 140 Ų | 140 | 46.3 Ų | 46.3 | 53% | 0.53 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -36.4 | -177.9 | -176.6 | 90.8 | 0 | 0 | 0 | 113.7 | M74 I76 R82 | M74-W78 VanDerWaalsContact O-CB 3.25Å; M74-W78 WeakPolarHBondContact O-CB 3.35Å; M74-W78 PolarHBondContact O-N 3.2Å; I76-W78 PolarHBondContact O-N 2.93Å; W78-R82 VanDerWaalsContact CH2-CZ 3.46Å; W78-R82 VanDerWaalsContact CZ2-CZ 3.4Å; W78-R82 WeakPolarHBondContact O-CD 3.27Å; W78-R82 WeakPolarHBondContact O-CG 3.21Å |
| 79 | L | 89.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.4 | -49.5 | 173.2 | -72.8 | 177.2 | 0 | 0 | 0 | 111.7 | A75 I76 I77 M81 R82 R91 M94 V97 | A75-L79 WeakPolarHBondContact O-CB 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 2.95Å; A75-L79 VanDerWaalsContact O-N 3.09Å; I76-L79 PolarHBondContact O-N 3.25Å; I77-L79 PolarHBondContact O-N 3.02Å; L79-M81 PolarHBondContact O-N 3.1Å; L79-R82 WeakPolarHBondContact O-CB 3.48Å; L79-R82 PolarHBondContact O-N 2.98Å; L79-R91 WeakPolarHBondContact O-CG 3.29Å; L79-M94 HydrophobicContact CB-CE 3.54Å; L79-M94 HydrophobicContact CD1-CE 4.28Å; L79-V97 HydrophobicContact CD1-CB 4.47Å; L79-V97 HydrophobicContact CD1-CG2 3.64Å |
| 80 | S | 87.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -26.4 | -175.9 | -67.8 | 0 | 0 | 0 | 0 | 113.8 | S15 V19 I76 I77 R82 M94 | S15-S80 VanDerWaalsContact O-CB 3.24Å; S15-S80 WeakPolarHBondContact O-CB 3.5Å; S15-S80 PolarHBondContact O-OG 2.84Å; V19-S80 VanDerWaalsContact CG2-CB 3.4Å; I76-S80 VanDerWaalsContact O-CB 3.26Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 2.92Å; I76-S80 PolarHBondContact O-OG 2.88Å; I76-S80 VanDerWaalsContact O-OG 3.09Å; I77-S80 PolarHBondContact O-N 3.04Å; S80-R82 VanDerWaalsContact C-N 3.26Å; S80-R82 PolarHBondContact O-N 3.19Å; S80-M94 WeakPolarHBondContact OG-CE 3.13Å |
| 81 | M | 85.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.9 | 173.7 | -72 | -171.6 | -55.2 | 0 | 0 | 114.5 | V19 I77 L79 W553 | V19-M81 HydrophobicContact CG1-CG 4.26Å; V19-M81 HydrophobicContact CG2-CG 4.02Å; I77-M81 HydrophobicContact CG2-CE 3.8Å; I77-M81 HydrophobicContact CG2-CG 4.47Å; I77-M81 HydrophobicContact CG2-SD 4.1Å; I77-M81 WeakPolarHBondContact O-CB 3.47Å; I77-M81 VanDerWaalsContact O-CG 3.27Å; I77-M81 WeakPolarHBondContact O-CG 3.24Å; I77-M81 PolarHBondContact O-N 2.85Å; L79-M81 PolarHBondContact O-N 3.1Å; M81-W553 HydrophobicContact SD-CZ2 4.42Å |
| 82 | R | 84.2 | Confident | 85.5 | Confident | 108 Ų | 108 | 49.7 Ų | 49.7 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93 | 140 | -172.4 | -69.8 | 171.4 | 162.1 | -132.2 | -14.3 | 114 | W78 L79 S80 P90 R91 | W78-R82 VanDerWaalsContact CH2-CZ 3.46Å; W78-R82 VanDerWaalsContact CZ2-CZ 3.4Å; W78-R82 WeakPolarHBondContact O-CD 3.27Å; W78-R82 WeakPolarHBondContact O-CG 3.21Å; L79-R82 WeakPolarHBondContact O-CB 3.48Å; L79-R82 PolarHBondContact O-N 2.98Å; S80-R82 VanDerWaalsContact C-N 3.26Å; S80-R82 PolarHBondContact O-N 3.19Å; R82-P90 HydrophobicContact CB-CB 4.08Å; R82-P90 HydrophobicContact CB-CG 4.36Å; R82-R91 WeakPolarHBondContact O-CD 3.38Å; R82-R91 WeakPolarHBondContact O-CG 3.43Å; R82-R91 PolarHBondContact O-NE 3.44Å |
| 83 | G | 82 | Confident | 85.2 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 26% | 0.258 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 84.1 | 167.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | P551 | G83-P551 WeakPolarHBondContact O-CA 3.29Å; G83-P551 WeakPolarHBondContact O-CB 3.4Å |
| 84 | G | 79.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | trans | -88.3 | 170.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | L86 Y87 R91 T549 K550 | G84-L86 VanDerWaalsContact C-N 3.32Å; G84-L86 PolarHBondContact O-N 3.36Å; G84-Y87 CarbonylContact O-C 3.57Å; G84-Y87 PolarHBondContact O-N 3.44Å; G84-Y87 VanDerWaalsContact O-O 3.11Å; G84-R91 PolarHBondContact O-NH2 3.45Å; G84-T549 WeakPolarHBondContact CA-O 3.36Å; G84-K550 WeakPolarHBondContact CA-O 3.47Å | ||
| 85 | I | 77.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -42.6 | -171.7 | -33.4 | 175.8 | 0 | 0 | 0 | 112.5 | M1 D235 A238 L242 L545 K552 I555 | M1-I85 HydrophobicContact CE-CB 3.67Å; M1-I85 HydrophobicContact CE-CG2 3.56Å; M1-I85 HydrophobicContact CG-CG2 3.91Å; M1-I85 WeakPolarHBondContact CG-O 3.46Å; M1-I85 HydrophobicContact SD-CB 4.48Å; M1-I85 HydrophobicContact SD-CG2 3.72Å; I85-D235 WeakPolarHBondContact CG2-OD1 3.3Å; I85-A238 HydrophobicContact CD1-CB 4.06Å; I85-L242 HydrophobicContact CD1-CD1 4.42Å; I85-L545 HydrophobicContact CD1-CD2 3.64Å; I85-K552 HydrophobicContact CG1-CB 4.43Å; I85-K552 HydrophobicContact CG2-CD 4.47Å; I85-I555 HydrophobicContact CD1-CD1 3.71Å; I85-I555 HydrophobicContact CG1-CD1 4.06Å |
| 86 | L | 74.7 | Confident | 84.4 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -22.9 | 173 | -78.9 | 173 | 0 | 0 | 0 | 114.7 | M1 G84 T88 Q546 | M1-L86 HydrophobicContact CE-CD2 3.89Å; M1-L86 HydrophobicContact CE-CG 3.67Å; M1-L86 HydrophobicContact CG-CD2 4.04Å; G84-L86 VanDerWaalsContact C-N 3.32Å; G84-L86 PolarHBondContact O-N 3.36Å; L86-T88 PolarHBondContact O-N 3.43Å; L86-Q546 HydrophobicContact CD1-CB 4.37Å; L86-Q546 HydrophobicContact CD1-CG 4.09Å |
| 87 | Y | 79.6 | Confident | 84.4 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 48% | 0.475 | 28% | 0.278 | S | S | . | . | trans | -91.8 | 93.3 | -172.2 | -172.5 | -120.4 | 0 | 0 | 0 | 110.6 | G84 E89 P90 R91 | G84-Y87 CarbonylContact O-C 3.57Å; G84-Y87 PolarHBondContact O-N 3.44Å; G84-Y87 VanDerWaalsContact O-O 3.11Å; Y87-E89 HydrophobicContact CE2-CB 4.06Å; Y87-E89 HydrophobicContact CE2-CG 3.97Å; Y87-E89 WeakPolarHBondContact CE2-OE2 3.3Å; Y87-E89 PolarHBondContact OH-OE2 3.45Å; Y87-P90 HydrophobicContact CD1-CG 3.93Å; Y87-P90 VanDerWaalsContact CE1-CD 3.41Å; Y87-P90 HydrophobicContact CE1-CG 3.74Å; Y87-R91 PolarHBondContact O-NH2 3.46Å | ||
| 88 | T | 79.4 | Confident | 84.3 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 23% | 0.233 | 29% | 0.285 | C | S | . | . | trans | -94.9 | -21.4 | -171 | 58 | 0 | 0 | 0 | 0 | 115.1 | P2 L86 P90 R91 | P2-T88 HydrophobicContact CG-CG2 4.36Å; L86-T88 PolarHBondContact O-N 3.43Å; T88-P90 VanDerWaalsContact C-CD 3.46Å; T88-R91 WeakPolarHBondContact O-CA 3.46Å; T88-R91 WeakPolarHBondContact O-CB 3.4Å; T88-R91 PolarHBondContact O-N 3.49Å | ||
| 89 | E | 81.2 | Confident | 84.3 | Confident | 121 Ų | 121 | 55.9 Ų | 55.9 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -45.3 | -47.6 | -177 | -60.1 | 178.5 | 165.8 | 0 | 0 | 115 | Y87 R91 D92 | Y87-E89 HydrophobicContact CE2-CB 4.06Å; Y87-E89 HydrophobicContact CE2-CG 3.97Å; Y87-E89 WeakPolarHBondContact CE2-OE2 3.3Å; Y87-E89 PolarHBondContact OH-OE2 3.45Å; E89-R91 PolarHBondContact O-N 3.39Å; E89-D92 PolarHBondContact O-N 3.25Å; E89-D92 VanDerWaalsContact O-N 3.11Å |
| 90 | P | 82.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 25% | 0.247 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -68.9 | 0.1 | 179.7 | 29.6 | -38.4 | 0 | 0 | 0 | 114.3 | R82 Y87 T88 | R82-P90 HydrophobicContact CB-CB 4.08Å; R82-P90 HydrophobicContact CB-CG 4.36Å; Y87-P90 HydrophobicContact CD1-CG 3.93Å; Y87-P90 VanDerWaalsContact CE1-CD 3.41Å; Y87-P90 HydrophobicContact CE1-CG 3.74Å; T88-P90 VanDerWaalsContact C-CD 3.46Å |
| 91 | R | 83.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -113.6 | 2.1 | 177.4 | -66.6 | 173.3 | -77.4 | 154.7 | -15.8 | 113.1 | S15 D16 L79 R82 G84 Y87 T88 E89 S93 M94 | S15-R91 WeakPolarHBondContact OG-CD 3.48Å; S15-R91 PolarHBondContact OG-NH1 3.18Å; S15-R91 VanDerWaalsContact OG-NH1 3.14Å; D16-R91 IonicContact OD1-NH1 2.86Å; D16-R91 IonicContact OD2-CZ 3.94Å; D16-R91 IonicContact OD2-NH1 2.81Å; D16-R91 PolarHBondContact OD2-NH1 3.37Å; D16-R91 IonicContact OD2-NH2 2.73Å; L79-R91 WeakPolarHBondContact O-CG 3.29Å; R82-R91 WeakPolarHBondContact O-CD 3.38Å; R82-R91 WeakPolarHBondContact O-CG 3.43Å; R82-R91 PolarHBondContact O-NE 3.44Å; G84-R91 PolarHBondContact O-NH2 3.45Å; Y87-R91 PolarHBondContact O-NH2 3.46Å; T88-R91 WeakPolarHBondContact O-CA 3.46Å; T88-R91 WeakPolarHBondContact O-CB 3.4Å; T88-R91 PolarHBondContact O-N 3.49Å; E89-R91 PolarHBondContact O-N 3.39Å; R91-S93 PolarHBondContact O-N 3.04Å; R91-S93 VanDerWaalsContact O-N 3.15Å; R91-M94 WeakPolarHBondContact O-CB 3.42Å; R91-M94 PolarHBondContact O-N 3.18Å |
| 92 | D | 82.8 | Confident | 84.8 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.9 | -177.4 | -76.5 | -7.2 | 0 | 0 | 0 | 113.4 | E89 M94 Q95 | E89-D92 PolarHBondContact O-N 3.25Å; E89-D92 VanDerWaalsContact O-N 3.11Å; D92-M94 VanDerWaalsContact C-N 3.26Å; D92-M94 PolarHBondContact O-N 2.78Å; D92-Q95 PolarHBondContact O-NE2 3.33Å |
| 93 | S | 87.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.4 | 173 | -52.4 | 0 | 0 | 0 | 0 | 114.3 | R91 Q95 Y96 | R91-S93 PolarHBondContact O-N 3.04Å; R91-S93 VanDerWaalsContact O-N 3.15Å; S93-Q95 PolarHBondContact O-N 2.77Å; S93-Q95 VanDerWaalsContact O-N 3.16Å; S93-Y96 PolarHBondContact O-N 3.17Å |
| 94 | M | 86.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.1 | -36.7 | -175.3 | 179.6 | 57.4 | 64.2 | 0 | 0 | 112.9 | I4 L18 I76 L79 S80 R91 D92 Y96 V97 L98 | I4-M94 HydrophobicContact CD1-CB 4.35Å; I4-M94 HydrophobicContact CD1-CG 3.69Å; L18-M94 HydrophobicContact CD1-CE 4.49Å; L18-M94 HydrophobicContact CD1-CG 4.16Å; L18-M94 HydrophobicContact CD1-SD 3.83Å; I76-M94 HydrophobicContact CG1-SD 4.36Å; I76-M94 HydrophobicContact CG2-CE 4.24Å; I76-M94 HydrophobicContact CG2-SD 4.31Å; L79-M94 HydrophobicContact CB-CE 3.54Å; L79-M94 HydrophobicContact CD1-CE 4.28Å; S80-M94 WeakPolarHBondContact OG-CE 3.13Å; R91-M94 WeakPolarHBondContact O-CB 3.42Å; R91-M94 PolarHBondContact O-N 3.18Å; D92-M94 VanDerWaalsContact C-N 3.26Å; D92-M94 PolarHBondContact O-N 2.78Å; M94-Y96 PolarHBondContact O-N 3.44Å; M94-V97 PolarHBondContact O-N 3.43Å; M94-L98 HydrophobicContact CG-CD1 3.9Å; M94-L98 HydrophobicContact CG-CG 4.21Å; M94-L98 WeakPolarHBondContact O-CG 3.46Å; M94-L98 PolarHBondContact O-N 3.39Å; M94-L98 HydrophobicContact SD-CD1 4.27Å; M94-L98 HydrophobicContact SD-CD2 4.48Å; M94-L98 HydrophobicContact SD-CG 3.99Å |
| 95 | Q | 87.5 | Confident | 86.2 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.1 | -36.8 | 179 | 68.5 | -170.9 | -57.6 | 0 | 0 | 112.7 | D92 S93 Y99 | D92-Q95 PolarHBondContact O-NE2 3.33Å; S93-Q95 PolarHBondContact O-N 2.77Å; S93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-Y99 HydrophobicContact CB-CE2 4.4Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.13Å; Q95-Y99 WeakPolarHBondContact O-CE2 3.44Å; Q95-Y99 VanDerWaalsContact O-CG 3.32Å; Q95-Y99 PolarHBondContact O-N 3.49Å |
| 96 | Y | 89.8 | Confident | 86.9 | Confident | 152 Ų | 152 | 63 Ų | 63 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.4 | -41.7 | -179 | -58.5 | -75.8 | 0 | 0 | 0 | 111.6 | S93 M94 L98 Y99 V100 | S93-Y96 PolarHBondContact O-N 3.17Å; M94-Y96 PolarHBondContact O-N 3.44Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 3.25Å; Y96-Y99 PolarHBondContact O-N 2.95Å; Y96-V100 WeakPolarHBondContact O-CG2 3.49Å; Y96-V100 PolarHBondContact O-N 2.91Å |
| 97 | V | 90.3 | Very high | 87.8 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 111 | A75 I76 L79 M94 V100 R101 | A75-V97 HydrophobicContact CB-CG1 3.99Å; I76-V97 HydrophobicContact CD1-CG1 4.5Å; I76-V97 HydrophobicContact CG1-CG1 3.68Å; L79-V97 HydrophobicContact CD1-CB 4.47Å; L79-V97 HydrophobicContact CD1-CG2 3.64Å; M94-V97 PolarHBondContact O-N 3.43Å; V97-V100 PolarHBondContact O-N 2.99Å; V97-R101 PolarHBondContact O-N 3.27Å |
| 98 | L | 88.7 | Confident | 88.3 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 173 | -71.6 | 174 | 0 | 0 | 0 | 113.3 | I4 V6 L18 I76 M94 Y96 V100 L102 | I4-L98 HydrophobicContact CD1-CD1 3.55Å; V6-L98 HydrophobicContact CG2-CD1 4.28Å; L18-L98 HydrophobicContact CD1-CD1 4.12Å; L18-L98 HydrophobicContact CD1-CD2 4.13Å; I76-L98 HydrophobicContact CD1-CD2 4.43Å; M94-L98 HydrophobicContact CG-CD1 3.9Å; M94-L98 HydrophobicContact CG-CG 4.21Å; M94-L98 WeakPolarHBondContact O-CG 3.46Å; M94-L98 PolarHBondContact O-N 3.39Å; M94-L98 HydrophobicContact SD-CD1 4.27Å; M94-L98 HydrophobicContact SD-CD2 4.48Å; M94-L98 HydrophobicContact SD-CG 3.99Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 3.25Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 PolarHBondContact O-N 3.06Å |
| 99 | Y | 90.8 | Very high | 88.8 | Confident | 78 Ų | 78 | 60 Ų | 60 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 171.8 | -62.2 | -45.6 | 0 | 0 | 0 | 111.6 | V6 F7 Q95 Y96 A103 | V6-Y99 HydrophobicContact CG1-CD1 4.22Å; V6-Y99 HydrophobicContact CG1-CE1 3.4Å; F7-Y99 AromaticContact CD1-CE1 3.86Å; F7-Y99 HydrophobicContact CD1-CE1 3.86Å; F7-Y99 HydrophobicContact CD2-CE1 4.32Å; F7-Y99 AromaticContact CE1-CD1 3.85Å; F7-Y99 HydrophobicContact CE1-CD1 3.85Å; F7-Y99 AromaticContact CE1-CE1 3.49Å; F7-Y99 HydrophobicContact CE1-CE1 3.49Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.49Å; F7-Y99 HydrophobicContact CE2-CD1 4.37Å; F7-Y99 AromaticContact CE2-CE1 3.99Å; F7-Y99 HydrophobicContact CE2-CE1 3.99Å; F7-Y99 HydrophobicContact CG-CE1 4.25Å; F7-Y99 AromaticContact CZ-CD1 3.68Å; F7-Y99 HydrophobicContact CZ-CD1 3.68Å; F7-Y99 AromaticContact CZ-CE1 3.55Å; F7-Y99 HydrophobicContact CZ-CE1 3.55Å; F7-Y99 PolarHBondContact N-OH 3.06Å; F7-Y99 VanDerWaalsContact N-OH 3.13Å; Q95-Y99 HydrophobicContact CB-CE2 4.4Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.13Å; Q95-Y99 WeakPolarHBondContact O-CE2 3.44Å; Q95-Y99 VanDerWaalsContact O-CG 3.32Å; Q95-Y99 PolarHBondContact O-N 3.49Å; Y96-Y99 PolarHBondContact O-N 2.95Å; Y99-A103 PolarHBondContact O-N 3.12Å; Y99-A103 VanDerWaalsContact O-N 3.1Å |
| 100 | V | 91.5 | Very high | 89.4 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -48.6 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | Y96 V97 L98 L102 A103 I104 | Y96-V100 WeakPolarHBondContact O-CG2 3.49Å; Y96-V100 PolarHBondContact O-N 2.91Å; V97-V100 PolarHBondContact O-N 2.99Å; L98-V100 VanDerWaalsContact C-N 3.31Å; V100-L102 VanDerWaalsContact C-N 3.27Å; V100-L102 PolarHBondContact O-N 2.89Å; V100-A103 WeakPolarHBondContact O-CB 3.3Å; V100-A103 PolarHBondContact O-N 3.05Å; V100-A103 VanDerWaalsContact O-N 3.11Å; V100-I104 HydrophobicContact CG1-CD1 4.06Å; V100-I104 WeakPolarHBondContact O-CG1 3.42Å; V100-I104 PolarHBondContact O-N 3.48Å |
| 101 | R | 91.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -31.6 | 177.9 | -174.2 | 57.6 | 176.2 | 106.5 | -12.1 | 112.4 | H29 C69 A72 E73 I76 V97 I104 L105 E108 | H29-R101 PolarHBondContact CE1-NH2 3.44Å; C69-R101 VanDerWaalsContact SG-CZ 3.56Å; C69-R101 PolarHBondContact SG-NH2 3.25Å; C69-R101 VanDerWaalsContact SG-NH2 3.39Å; A72-R101 HydrophobicContact CB-CB 4.36Å; E73-R101 IonicContact OE1-CZ 2.77Å; E73-R101 VanDerWaalsContact OE1-CZ 3.25Å; E73-R101 IonicContact OE1-NE 3.91Å; E73-R101 PolarHBondContact OE1-NE 2.88Å; E73-R101 IonicContact OE1-NH2 3.02Å; E73-R101 PolarHBondContact OE1-NH2 2.9Å; I76-R101 HydrophobicContact CD1-CB 4.31Å; I76-R101 HydrophobicContact CD1-CG 4.38Å; V97-R101 PolarHBondContact O-N 3.27Å; R101-I104 PolarHBondContact O-N 2.92Å; R101-L105 WeakPolarHBondContact O-CB 3.44Å; R101-L105 PolarHBondContact O-N 2.82Å; R101-E108 IonicContact CZ-OE2 3.62Å; R101-E108 IonicContact NH1-OE2 2.67Å; R101-E108 PolarHBondContact NH1-OE2 2.99Å; R101-E108 IonicContact NH2-OE1 3.21Å; R101-E108 IonicContact NH2-OE2 3.76Å; R101-E108 PolarHBondContact NH2-OE2 3.17Å |
| 102 | L | 90.1 | Very high | 90 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 171.9 | -178.2 | 65.1 | 0 | 0 | 0 | 112.2 | F7 L98 V100 I104 L105 V106 | F7-L102 HydrophobicContact CE2-CD2 4.21Å; F7-L102 HydrophobicContact CZ-CD2 3.58Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 PolarHBondContact O-N 3.06Å; V100-L102 VanDerWaalsContact C-N 3.27Å; V100-L102 PolarHBondContact O-N 2.89Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-L105 HydrophobicContact CD1-CD2 4.34Å; L102-L105 PolarHBondContact O-N 3.17Å; L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 2.9Å; L102-V106 VanDerWaalsContact O-N 3.08Å |
| 103 | A | 92.3 | Very high | 90.4 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y99 V100 V106 I107 | Y99-A103 PolarHBondContact O-N 3.12Å; Y99-A103 VanDerWaalsContact O-N 3.1Å; V100-A103 WeakPolarHBondContact O-CB 3.3Å; V100-A103 PolarHBondContact O-N 3.05Å; V100-A103 VanDerWaalsContact O-N 3.11Å; A103-V106 PolarHBondContact O-N 3.01Å; A103-I107 WeakPolarHBondContact O-CG1 3.44Å; A103-I107 PolarHBondContact O-N 3.28Å |
| 104 | I | 92.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.1 | -63.8 | 166.8 | 0 | 0 | 0 | 110.8 | C69 A72 V100 R101 L102 V106 I107 E108 | C69-I104 WeakPolarHBondContact SG-CG2 3.38Å; A72-I104 HydrophobicContact CB-CD1 3.9Å; V100-I104 HydrophobicContact CG1-CD1 4.06Å; V100-I104 WeakPolarHBondContact O-CG1 3.42Å; V100-I104 PolarHBondContact O-N 3.48Å; R101-I104 PolarHBondContact O-N 2.92Å; L102-I104 VanDerWaalsContact C-N 3.33Å; I104-V106 VanDerWaalsContact C-N 3.29Å; I104-V106 PolarHBondContact O-N 3.35Å; I104-I107 WeakPolarHBondContact O-CB 3.42Å; I104-I107 PolarHBondContact O-N 3.45Å; I104-I107 VanDerWaalsContact O-N 3.1Å; I104-E108 VanDerWaalsContact O-CB 3.29Å; I104-E108 WeakPolarHBondContact O-CB 3.4Å; I104-E108 PolarHBondContact O-N 3.49Å |
| 105 | L | 90.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -33.3 | 178.2 | -175.1 | 67.1 | 0 | 0 | 0 | 113 | R101 L102 F109 I146 V149 | R101-L105 WeakPolarHBondContact O-CB 3.44Å; R101-L105 PolarHBondContact O-N 2.82Å; L102-L105 HydrophobicContact CD1-CD2 4.34Å; L102-L105 PolarHBondContact O-N 3.17Å; L105-F109 WeakPolarHBondContact O-CB 3.5Å; L105-F109 PolarHBondContact O-N 3.04Å; L105-I146 HydrophobicContact CD1-CG1 4.22Å; L105-V149 HydrophobicContact CD2-CG1 3.83Å |
| 106 | V | 91.4 | Very high | 90.6 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L102 A103 I104 I110 | L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 2.9Å; L102-V106 VanDerWaalsContact O-N 3.08Å; A103-V106 PolarHBondContact O-N 3.01Å; I104-V106 VanDerWaalsContact C-N 3.29Å; I104-V106 PolarHBondContact O-N 3.35Å; V106-I110 HydrophobicContact CG1-CD1 4.2Å; V106-I110 WeakPolarHBondContact O-CG1 3.35Å; V106-I110 PolarHBondContact O-N 3.49Å; V106-I110 VanDerWaalsContact O-N 3.13Å |
| 107 | I | 92.8 | Very high | 90.6 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.3 | -64 | 166.1 | 0 | 0 | 0 | 110.2 | I65 A103 I104 F109 I110 Y111 | I65-I107 HydrophobicContact CD1-CG2 4.09Å; I65-I107 HydrophobicContact CG1-CG2 4.39Å; A103-I107 WeakPolarHBondContact O-CG1 3.44Å; A103-I107 PolarHBondContact O-N 3.28Å; I104-I107 WeakPolarHBondContact O-CB 3.42Å; I104-I107 PolarHBondContact O-N 3.45Å; I104-I107 VanDerWaalsContact O-N 3.1Å; I107-F109 PolarHBondContact O-N 2.71Å; I107-I110 PolarHBondContact O-N 2.99Å; I107-Y111 WeakPolarHBondContact O-CB 3.39Å; I107-Y111 PolarHBondContact O-N 3.2Å |
| 108 | E | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -44.7 | 176.5 | -176.8 | 169.8 | -149.1 | 0 | 0 | 111.9 | H29 I65 R101 I104 Y111 A112 N142 | H29-E108 IonicContact NE2-OE1 3.27Å; I65-E108 HydrophobicContact CG2-CB 4.21Å; I65-E108 HydrophobicContact CG2-CG 4.44Å; R101-E108 IonicContact CZ-OE2 3.62Å; R101-E108 IonicContact NH1-OE2 2.67Å; R101-E108 PolarHBondContact NH1-OE2 2.99Å; R101-E108 IonicContact NH2-OE1 3.21Å; R101-E108 IonicContact NH2-OE2 3.76Å; R101-E108 PolarHBondContact NH2-OE2 3.17Å; I104-E108 VanDerWaalsContact O-CB 3.29Å; I104-E108 WeakPolarHBondContact O-CB 3.4Å; I104-E108 PolarHBondContact O-N 3.49Å; E108-Y111 PolarHBondContact O-N 2.8Å; E108-A112 WeakPolarHBondContact O-CB 3.45Å; E108-A112 PolarHBondContact O-N 2.78Å; E108-N142 WeakPolarHBondContact CG-ND2 3.49Å |
| 109 | F | 90.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 37% | 0.373 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.6 | 176 | -99.3 | 0 | 0 | 0 | 112.9 | L105 I107 Y111 A112 I113 W143 I146 | L105-F109 WeakPolarHBondContact O-CB 3.5Å; L105-F109 PolarHBondContact O-N 3.04Å; I107-F109 PolarHBondContact O-N 2.71Å; F109-Y111 VanDerWaalsContact C-N 3.3Å; F109-Y111 PolarHBondContact O-N 3.46Å; F109-A112 PolarHBondContact O-N 3.02Å; F109-I113 HydrophobicContact CD1-CD1 4.06Å; F109-I113 HydrophobicContact CE1-CD1 3.59Å; F109-I113 HydrophobicContact CZ-CD1 3.88Å; F109-I113 WeakPolarHBondContact O-CG1 3.26Å; F109-I113 PolarHBondContact O-N 3.18Å; F109-I113 VanDerWaalsContact O-N 3.17Å; F109-W143 HydrophobicContact CD2-CH2 4.2Å; F109-W143 AromaticContact CE2-CH2 3.57Å; F109-W143 HydrophobicContact CE2-CH2 3.57Å; F109-W143 HydrophobicContact CE2-CZ2 4.42Å; F109-W143 AromaticContact CE2-CZ3 3.97Å; F109-W143 HydrophobicContact CE2-CZ3 3.97Å; F109-W143 HydrophobicContact CZ-CH2 4.34Å; F109-I146 HydrophobicContact CB-CD1 4.1Å; F109-I146 HydrophobicContact CD2-CD1 4.13Å; F109-I146 HydrophobicContact CD2-CG2 4.36Å |
| 110 | I | 92.2 | Very high | 89.9 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.6 | -67 | 164.7 | 0 | 0 | 0 | 110.2 | V106 I107 I113 V114 | V106-I110 HydrophobicContact CG1-CD1 4.2Å; V106-I110 WeakPolarHBondContact O-CG1 3.35Å; V106-I110 PolarHBondContact O-N 3.49Å; V106-I110 VanDerWaalsContact O-N 3.13Å; I107-I110 PolarHBondContact O-N 2.99Å; I110-I113 WeakPolarHBondContact O-CB 3.31Å; I110-I113 PolarHBondContact O-N 3.14Å; I110-V114 PolarHBondContact O-N 3.26Å; I110-V114 VanDerWaalsContact O-N 3.11Å |
| 111 | Y | 90.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 179.1 | -142 | -91.2 | 0 | 0 | 0 | 112.8 | H58 G61 Y62 I65 I107 E108 F109 I113 V114 G115 | H58-Y111 WeakPolarHBondContact CA-OH 3.46Å; H58-Y111 AromaticContact CE1-CD1 3.52Å; H58-Y111 AromaticContact CE1-CE1 3.24Å; H58-Y111 WeakPolarHBondContact CE1-CE1 3.46Å; H58-Y111 AromaticContact CG-CE1 3.98Å; H58-Y111 AromaticContact ND1-CD1 3.96Å; H58-Y111 AromaticContact ND1-CE1 3.23Å; H58-Y111 WeakPolarHBondContact ND1-CE1 3.37Å; H58-Y111 AromaticContact ND1-CZ 3.72Å; H58-Y111 AromaticContact NE2-CE1 3.97Å; H58-Y111 WeakPolarHBondContact O-CE1 3.13Å; H58-Y111 PolarHBondContact O-OH 3.22Å; H58-Y111 VanDerWaalsContact O-OH 3.05Å; G61-Y111 WeakPolarHBondContact CA-OH 3.42Å; Y62-Y111 AromaticContact CD2-CD1 3.74Å; Y62-Y111 HydrophobicContact CD2-CD1 3.74Å; Y62-Y111 HydrophobicContact CD2-CE1 4.3Å; Y62-Y111 HydrophobicContact CG-CD1 4.42Å; I65-Y111 HydrophobicContact CD1-CD1 4.05Å; I65-Y111 HydrophobicContact CD1-CD2 3.54Å; I65-Y111 HydrophobicContact CD1-CE2 4.2Å; I65-Y111 HydrophobicContact CD1-CG 3.45Å; I65-Y111 VanDerWaalsContact CD1-CG 3.45Å; I107-Y111 WeakPolarHBondContact O-CB 3.39Å; I107-Y111 PolarHBondContact O-N 3.2Å; E108-Y111 PolarHBondContact O-N 2.8Å; F109-Y111 VanDerWaalsContact C-N 3.3Å; F109-Y111 PolarHBondContact O-N 3.46Å; Y111-I113 VanDerWaalsContact C-N 3.3Å; Y111-I113 PolarHBondContact O-N 2.93Å; Y111-V114 PolarHBondContact O-N 2.73Å; Y111-G115 PolarHBondContact O-N 2.95Å |
| 112 | A | 89.1 | Confident | 89 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E108 F109 G115 I116 | E108-A112 WeakPolarHBondContact O-CB 3.45Å; E108-A112 PolarHBondContact O-N 2.78Å; F109-A112 PolarHBondContact O-N 3.02Å; A112-G115 PolarHBondContact O-N 3.42Å; A112-I116 PolarHBondContact O-N 3.28Å; A112-I116 VanDerWaalsContact O-N 3.15Å |
| 113 | I | 90.3 | Very high | 88.4 | Confident | 74 Ų | 74 | 58 Ų | 58 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 170.9 | -66.2 | 167.2 | 0 | 0 | 0 | 110.7 | F109 I110 Y111 G115 I116 V117 W143 | F109-I113 HydrophobicContact CD1-CD1 4.06Å; F109-I113 HydrophobicContact CE1-CD1 3.59Å; F109-I113 HydrophobicContact CZ-CD1 3.88Å; F109-I113 WeakPolarHBondContact O-CG1 3.26Å; F109-I113 PolarHBondContact O-N 3.18Å; F109-I113 VanDerWaalsContact O-N 3.17Å; I110-I113 WeakPolarHBondContact O-CB 3.31Å; I110-I113 PolarHBondContact O-N 3.14Å; Y111-I113 VanDerWaalsContact C-N 3.3Å; Y111-I113 PolarHBondContact O-N 2.93Å; I113-G115 VanDerWaalsContact C-N 3.26Å; I113-G115 PolarHBondContact O-N 3.25Å; I113-I116 PolarHBondContact O-N 3.2Å; I113-I116 VanDerWaalsContact O-N 3.12Å; I113-V117 WeakPolarHBondContact O-CG2 3.45Å; I113-V117 PolarHBondContact O-N 3Å; I113-W143 HydrophobicContact CG1-CZ2 4.19Å |
| 114 | V | 89.9 | Confident | 87.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.418 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | I110 Y111 V117 W118 | I110-V114 PolarHBondContact O-N 3.26Å; I110-V114 VanDerWaalsContact O-N 3.11Å; Y111-V114 PolarHBondContact O-N 2.73Å; V114-V117 PolarHBondContact O-N 3.14Å; V114-W118 PolarHBondContact O-N 3.31Å |
| 115 | G | 87.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y111 A112 I113 W118 L119 | Y111-G115 PolarHBondContact O-N 2.95Å; A112-G115 PolarHBondContact O-N 3.42Å; I113-G115 VanDerWaalsContact C-N 3.26Å; I113-G115 PolarHBondContact O-N 3.25Å; G115-W118 PolarHBondContact O-N 3.33Å; G115-L119 WeakPolarHBondContact O-CB 3.38Å; G115-L119 VanDerWaalsContact O-CG 3.29Å; G115-L119 WeakPolarHBondContact O-CG 3.22Å; G115-L119 PolarHBondContact O-N 3.46Å |
| 116 | I | 89.3 | Confident | 86 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 36% | 0.359 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 173.2 | -69.8 | 175.5 | 0 | 0 | 0 | 111.5 | A112 I113 L119 T120 V139 W143 | A112-I116 PolarHBondContact O-N 3.28Å; A112-I116 VanDerWaalsContact O-N 3.15Å; I113-I116 PolarHBondContact O-N 3.2Å; I113-I116 VanDerWaalsContact O-N 3.12Å; I116-L119 PolarHBondContact O-N 2.8Å; I116-T120 HydrophobicContact CG2-CG2 4.34Å; I116-T120 WeakPolarHBondContact O-CB 3.44Å; I116-T120 WeakPolarHBondContact O-CG2 3.31Å; I116-T120 PolarHBondContact O-N 3.34Å; I116-T120 PolarHBondContact O-OG1 3.28Å; I116-V139 HydrophobicContact CG1-CG1 3.89Å; I116-W143 HydrophobicContact CD1-CZ2 4.01Å; I116-W143 VanDerWaalsContact CD1-NE1 3.33Å |
| 117 | V | 88.7 | Confident | 85.2 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 39% | 0.394 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | I113 V114 T120 Q121 | I113-V117 WeakPolarHBondContact O-CG2 3.45Å; I113-V117 PolarHBondContact O-N 3Å; V114-V117 PolarHBondContact O-N 3.14Å; V117-T120 PolarHBondContact O-OG1 3.47Å; V117-T120 VanDerWaalsContact O-OG1 3.12Å; V117-Q121 WeakPolarHBondContact O-CB 3.17Å; V117-Q121 VanDerWaalsContact O-CG 3.31Å; V117-Q121 WeakPolarHBondContact O-CG 3.48Å; V117-Q121 PolarHBondContact O-N 2.92Å |
| 118 | W | 86.5 | Confident | 84.4 | Confident | 15 Ų | 15 | 62 Ų | 62 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 174.7 | -175.2 | 91.2 | 0 | 0 | 0 | 111.8 | L55 V114 G115 T120 Q121 Y122 K132 T135 | L55-W118 HydrophobicContact CB-CH2 4.4Å; L55-W118 HydrophobicContact CB-CZ2 3.71Å; L55-W118 HydrophobicContact CD1-CD2 4.41Å; L55-W118 HydrophobicContact CD1-CE3 4.31Å; L55-W118 HydrophobicContact CD1-CH2 3.69Å; L55-W118 HydrophobicContact CD1-CZ2 3.76Å; L55-W118 HydrophobicContact CD1-CZ3 3.96Å; L55-W118 HydrophobicContact CD2-CH2 3.82Å; L55-W118 HydrophobicContact CD2-CZ2 3.89Å; L55-W118 HydrophobicContact CG-CH2 4.18Å; L55-W118 HydrophobicContact CG-CZ2 3.99Å; V114-W118 PolarHBondContact O-N 3.31Å; G115-W118 PolarHBondContact O-N 3.33Å; W118-T120 PolarHBondContact O-N 3.3Å; W118-Q121 PolarHBondContact O-N 3.3Å; W118-Y122 AromaticContact CD1-CD2 3.69Å; W118-Y122 HydrophobicContact CG-CD2 4.18Å; W118-Y122 AromaticContact NE1-CD2 3.81Å; W118-Y122 WeakPolarHBondContact O-CB 3.27Å; W118-Y122 PolarHBondContact O-N 3.46Å; W118-K132 HydrophobicContact CH2-CB 4.4Å; W118-T135 HydrophobicContact CE3-CG2 4.25Å; W118-T135 HydrophobicContact CZ3-CG2 4.34Å |
| 119 | L | 85.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 177.9 | -74.8 | 166.9 | 0 | 0 | 0 | 112 | G115 I116 Q121 Y123 L136 V139 | G115-L119 WeakPolarHBondContact O-CB 3.38Å; G115-L119 VanDerWaalsContact O-CG 3.29Å; G115-L119 WeakPolarHBondContact O-CG 3.22Å; G115-L119 PolarHBondContact O-N 3.46Å; I116-L119 PolarHBondContact O-N 2.8Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 3.24Å; L119-Y123 HydrophobicContact CD2-CD2 3.79Å; L119-Y123 WeakPolarHBondContact O-CB 3.3Å; L119-Y123 PolarHBondContact O-N 3.38Å; L119-L136 HydrophobicContact CD1-CD1 4.06Å; L119-L136 HydrophobicContact CD2-CB 4.29Å; L119-L136 HydrophobicContact CD2-CD1 4.45Å; L119-V139 HydrophobicContact CD1-CB 4.09Å; L119-V139 HydrophobicContact CD1-CG1 4.17Å; L119-V139 HydrophobicContact CD1-CG2 4.03Å |
| 120 | T | 85 | Confident | 83.2 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.3 | -24.3 | -179.6 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | I116 V117 W118 | I116-T120 HydrophobicContact CG2-CG2 4.34Å; I116-T120 WeakPolarHBondContact O-CB 3.44Å; I116-T120 WeakPolarHBondContact O-CG2 3.31Å; I116-T120 PolarHBondContact O-N 3.34Å; I116-T120 PolarHBondContact O-OG1 3.28Å; V117-T120 PolarHBondContact O-OG1 3.47Å; V117-T120 VanDerWaalsContact O-OG1 3.12Å; W118-T120 PolarHBondContact O-N 3.3Å |
| 121 | Q | 82.9 | Confident | 82.5 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -91 | -33.6 | 178.3 | -70.1 | 177.6 | 1.6 | 0 | 0 | 114.1 | V117 W118 L119 | V117-Q121 WeakPolarHBondContact O-CB 3.17Å; V117-Q121 VanDerWaalsContact O-CG 3.31Å; V117-Q121 WeakPolarHBondContact O-CG 3.48Å; V117-Q121 PolarHBondContact O-N 2.92Å; W118-Q121 PolarHBondContact O-N 3.3Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 3.24Å |
| 122 | Y | 79.7 | Confident | 81.9 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -126.7 | -10.7 | -162.8 | -65.5 | -71.9 | 0 | 0 | 0 | 116.3 | C51 W118 T124 S125 C126 | C51-Y122 HydrophobicContact CB-CD1 4.28Å; W118-Y122 AromaticContact CD1-CD2 3.69Å; W118-Y122 HydrophobicContact CG-CD2 4.18Å; W118-Y122 AromaticContact NE1-CD2 3.81Å; W118-Y122 WeakPolarHBondContact O-CB 3.27Å; W118-Y122 PolarHBondContact O-N 3.46Å; Y122-T124 VanDerWaalsContact C-N 3.31Å; Y122-T124 PolarHBondContact O-N 2.95Å; Y122-S125 PolarHBondContact O-N 2.87Å; Y122-C126 PolarHBondContact O-N 3Å |
| 123 | Y | 77.6 | Confident | 81.7 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.3 | -173.6 | -179.6 | -99.3 | 0 | 0 | 0 | 114.6 | L119 K132 L136 | L119-Y123 HydrophobicContact CD2-CD2 3.79Å; L119-Y123 WeakPolarHBondContact O-CB 3.3Å; L119-Y123 PolarHBondContact O-N 3.38Å; Y123-K132 HydrophobicContact CD2-CB 4.2Å; Y123-K132 HydrophobicContact CD2-CD 4.28Å; Y123-K132 HydrophobicContact CD2-CG 4.34Å; Y123-K132 HydrophobicContact CE2-CB 4.39Å; Y123-K132 HydrophobicContact CE2-CD 4.4Å; Y123-K132 HydrophobicContact CE2-CG 4.2Å; Y123-K132 WeakPolarHBondContact O-CD 3.48Å; Y123-K132 PolarHBondContact O-NZ 3.03Å; Y123-L136 HydrophobicContact CE2-CB 4.45Å; Y123-L136 HydrophobicContact CE2-CD2 4.05Å |
| 124 | T | 76.9 | Confident | 81.5 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 79% | 0.785 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.2 | 173.9 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | Y122 | Y122-T124 VanDerWaalsContact C-N 3.31Å; Y122-T124 PolarHBondContact O-N 2.95Å |
| 125 | S | 73.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 53% | 0.531 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -20.9 | -171.5 | -53.4 | 0 | 0 | 0 | 0 | 114 | Y122 | Y122-S125 PolarHBondContact O-N 2.87Š|
| 126 | C | 75.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | trans | -84.2 | 131.1 | 176 | -111.9 | 0 | 0 | 0 | 0 | 112.3 | C51 Y122 K132 | C51-C126 HydrophobicContact CB-CB 4.35Å; C51-C126 WeakPolarHBondContact CB-SG 3.44Å; C51-C126 WeakPolarHBondContact SG-CB 3.43Å; C51-C126 CovalentContact SG-SG 2.03Å; C51-C126 PolarHBondContact SG-SG 2.89Å; Y122-C126 PolarHBondContact O-N 3Å; C126-K132 PolarHBondContact O-NZ 3.35Å | ||
| 127 | N | 74.3 | Confident | 81 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | trans | -78.4 | -18.6 | 174.5 | -67.5 | -50.1 | 0 | 0 | 0 | 113.6 | L129 | N127-L129 VanDerWaalsContact C-N 3.3Å; N127-L129 PolarHBondContact O-N 3.06Å | ||
| 128 | D | 75.8 | Confident | 81 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | trans | -69.3 | 74.9 | -175.9 | -64.6 | -31.6 | 0 | 0 | 0 | 113 | S52 T130 A131 K132 | S52-D128 WeakPolarHBondContact CB-OD2 3.34Å; S52-D128 PolarHBondContact OG-OD2 3.05Å; D128-T130 PolarHBondContact O-N 2.96Å; D128-A131 HydrophobicContact CB-CB 4.05Å; D128-A131 PolarHBondContact O-N 3.05Å; D128-K132 WeakPolarHBondContact O-CG 3.45Å; D128-K132 PolarHBondContact O-N 3.28Å | ||
| 129 | L | 77.5 | Confident | 81.1 | Confident | 110 Ų | 110 | 58.2 Ų | 58.2 | 58% | 0.576 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55.3 | -46.3 | -172.4 | -178.8 | 60.6 | 0 | 0 | 0 | 113.5 | N127 N133 | N127-L129 VanDerWaalsContact C-N 3.3Å; N127-L129 PolarHBondContact O-N 3.06Å; L129-N133 WeakPolarHBondContact O-CB 3.48Å; L129-N133 PolarHBondContact O-N 2.77Å; L129-N133 PolarHBondContact O-ND2 2.98Å; L129-N133 PolarHBondContact O-OD1 2.89Å |
| 130 | T | 78.4 | Confident | 81.3 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 179.4 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | L43 D128 V134 | L43-T130 HydrophobicContact CD1-CG2 4.34Å; D128-T130 PolarHBondContact O-N 2.96Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.41Å; T130-V134 VanDerWaalsContact O-N 3.1Å |
| 131 | A | 77 | Confident | 81.6 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -45.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V39 Y45 L55 D128 N133 V134 T135 | V39-A131 HydrophobicContact CG1-CB 4.35Å; Y45-A131 HydrophobicContact CE1-CB 4.13Å; L55-A131 HydrophobicContact CD2-CB 3.7Å; D128-A131 HydrophobicContact CB-CB 4.05Å; D128-A131 PolarHBondContact O-N 3.05Å; A131-N133 VanDerWaalsContact C-N 3.34Å; A131-N133 PolarHBondContact O-N 3.19Å; A131-V134 PolarHBondContact O-N 2.92Å; A131-T135 PolarHBondContact O-N 2.88Å; A131-T135 PolarHBondContact O-OG1 2.88Å |
| 132 | K | 79.6 | Confident | 81.9 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -33.4 | 179.8 | 73.5 | -173.1 | -177.6 | -179.7 | 0 | 113.5 | W118 Y123 C126 D128 L136 | W118-K132 HydrophobicContact CH2-CB 4.4Å; Y123-K132 HydrophobicContact CD2-CB 4.2Å; Y123-K132 HydrophobicContact CD2-CD 4.28Å; Y123-K132 HydrophobicContact CD2-CG 4.34Å; Y123-K132 HydrophobicContact CE2-CB 4.39Å; Y123-K132 HydrophobicContact CE2-CD 4.4Å; Y123-K132 HydrophobicContact CE2-CG 4.2Å; Y123-K132 WeakPolarHBondContact O-CD 3.48Å; Y123-K132 PolarHBondContact O-NZ 3.03Å; C126-K132 PolarHBondContact O-NZ 3.35Å; D128-K132 WeakPolarHBondContact O-CG 3.45Å; D128-K132 PolarHBondContact O-N 3.28Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.72Å |
| 133 | N | 84.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 173.7 | -71.1 | -4.5 | 0 | 0 | 0 | 111.6 | L129 A131 L136 G137 | L129-N133 WeakPolarHBondContact O-CB 3.48Å; L129-N133 PolarHBondContact O-N 2.77Å; L129-N133 PolarHBondContact O-ND2 2.98Å; L129-N133 PolarHBondContact O-OD1 2.89Å; A131-N133 VanDerWaalsContact C-N 3.34Å; A131-N133 PolarHBondContact O-N 3.19Å; N133-L136 PolarHBondContact O-N 2.88Å; N133-G137 PolarHBondContact O-N 3.28Å |
| 134 | V | 85.4 | Confident | 82.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | W32 I35 V39 T130 A131 L136 G137 M138 | W32-V134 HydrophobicContact CZ3-CG1 4.41Å; I35-V134 HydrophobicContact CG2-CG1 3.93Å; I35-V134 HydrophobicContact CG2-CG2 4.43Å; V39-V134 HydrophobicContact CG2-CG1 4.3Å; V39-V134 HydrophobicContact CG2-CG2 4.1Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.41Å; T130-V134 VanDerWaalsContact O-N 3.1Å; A131-V134 PolarHBondContact O-N 2.92Å; V134-L136 VanDerWaalsContact C-N 3.34Å; V134-L136 PolarHBondContact O-N 2.63Å; V134-G137 PolarHBondContact O-N 3.41Å; V134-M138 WeakPolarHBondContact O-CB 3.39Å; V134-M138 PolarHBondContact O-N 3.35Å |
| 135 | T | 83.6 | Confident | 83.4 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | L55 W118 A131 M138 V139 | L55-T135 HydrophobicContact CD1-CG2 4.23Å; L55-T135 WeakPolarHBondContact CD1-OG1 3.45Å; W118-T135 HydrophobicContact CE3-CG2 4.25Å; W118-T135 HydrophobicContact CZ3-CG2 4.34Å; A131-T135 PolarHBondContact O-N 2.88Å; A131-T135 PolarHBondContact O-OG1 2.88Å; T135-M138 HydrophobicContact CG2-CE 4.45Å; T135-M138 PolarHBondContact O-N 3.45Å; T135-V139 WeakPolarHBondContact O-CG2 3.4Å; T135-V139 PolarHBondContact O-N 2.84Å |
| 136 | L | 87.1 | Confident | 84.1 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.335 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.6 | -50.6 | 173.4 | 179 | 63.4 | 0 | 0 | 0 | 111.6 | L119 Y123 K132 N133 V134 M138 V139 V140 | L119-L136 HydrophobicContact CD1-CD1 4.06Å; L119-L136 HydrophobicContact CD2-CB 4.29Å; L119-L136 HydrophobicContact CD2-CD1 4.45Å; Y123-L136 HydrophobicContact CE2-CB 4.45Å; Y123-L136 HydrophobicContact CE2-CD2 4.05Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.72Å; N133-L136 PolarHBondContact O-N 2.88Å; V134-L136 VanDerWaalsContact C-N 3.34Å; V134-L136 PolarHBondContact O-N 2.63Å; L136-M138 VanDerWaalsContact C-N 3.32Å; L136-M138 PolarHBondContact O-N 3.32Å; L136-V139 PolarHBondContact O-N 3.42Å; L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.41Å; L136-V140 PolarHBondContact O-N 3.41Å |
| 137 | G | 87.2 | Confident | 84.6 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W32 N133 V134 V140 C141 | W32-G137 VanDerWaalsContact CH2-C 3.49Å; N133-G137 PolarHBondContact O-N 3.28Å; V134-G137 PolarHBondContact O-N 3.41Å; G137-V140 PolarHBondContact O-N 3.23Å; G137-C141 VanDerWaalsContact O-CB 3.3Å; G137-C141 WeakPolarHBondContact O-CB 3.39Å; G137-C141 PolarHBondContact O-N 3.05Å |
| 138 | M | 87.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.6 | -176.2 | -173.9 | 83.8 | 0 | 0 | 111.9 | W32 L36 Y62 V134 T135 L136 C141 N142 | W32-M138 HydrophobicContact CE3-CB 4.06Å; W32-M138 HydrophobicContact CE3-CG 4.3Å; W32-M138 HydrophobicContact CH2-CB 4.37Å; W32-M138 HydrophobicContact CZ3-CB 3.87Å; L36-M138 HydrophobicContact CD1-SD 4.32Å; L36-M138 HydrophobicContact CD2-SD 4.08Å; Y62-M138 HydrophobicContact CD1-CE 3.78Å; Y62-M138 HydrophobicContact CD1-CG 4.03Å; Y62-M138 HydrophobicContact CD1-SD 3.3Å; Y62-M138 WeakPolarHBondContact CD1-SD 3.43Å; Y62-M138 HydrophobicContact CE1-CE 4.15Å; Y62-M138 HydrophobicContact CE1-CG 3.56Å; Y62-M138 HydrophobicContact CE1-SD 3.51Å; Y62-M138 VanDerWaalsContact CE1-SD 3.51Å; Y62-M138 HydrophobicContact CG-CE 3.98Å; Y62-M138 HydrophobicContact CG-SD 4.11Å; V134-M138 WeakPolarHBondContact O-CB 3.39Å; V134-M138 PolarHBondContact O-N 3.35Å; T135-M138 HydrophobicContact CG2-CE 4.45Å; T135-M138 PolarHBondContact O-N 3.45Å; L136-M138 VanDerWaalsContact C-N 3.32Å; L136-M138 PolarHBondContact O-N 3.32Å; M138-C141 PolarHBondContact O-N 2.75Å; M138-N142 WeakPolarHBondContact O-CB 3.28Å; M138-N142 PolarHBondContact O-N 2.9Å |
| 139 | V | 89.2 | Confident | 85.6 | Confident | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | I116 L119 T135 L136 C141 N142 W143 | I116-V139 HydrophobicContact CG1-CG1 3.89Å; L119-V139 HydrophobicContact CD1-CB 4.09Å; L119-V139 HydrophobicContact CD1-CG1 4.17Å; L119-V139 HydrophobicContact CD1-CG2 4.03Å; T135-V139 WeakPolarHBondContact O-CG2 3.4Å; T135-V139 PolarHBondContact O-N 2.84Å; L136-V139 PolarHBondContact O-N 3.42Å; V139-C141 PolarHBondContact O-N 3Å; V139-N142 PolarHBondContact O-N 2.84Å; V139-W143 VanDerWaalsContact O-CD1 3.29Å; V139-W143 PolarHBondContact O-N 2.83Å |
| 140 | V | 89.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 44 Ų | 44 | 52% | 0.515 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.3 | L136 G137 N142 W143 V144 | L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.41Å; L136-V140 PolarHBondContact O-N 3.41Å; G137-V140 PolarHBondContact O-N 3.23Å; V140-N142 PolarHBondContact O-N 2.98Å; V140-W143 PolarHBondContact O-N 2.9Å; V140-V144 WeakPolarHBondContact O-CG2 3.36Å; V140-V144 PolarHBondContact O-N 2.7Å |
| 141 | C | 89.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 178.9 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | W32 G137 M138 V139 V144 V145 | W32-C141 HydrophobicContact CZ2-CB 3.72Å; W32-C141 PolarHBondContact NE1-SG 2.71Å; G137-C141 VanDerWaalsContact O-CB 3.3Å; G137-C141 WeakPolarHBondContact O-CB 3.39Å; G137-C141 PolarHBondContact O-N 3.05Å; M138-C141 PolarHBondContact O-N 2.75Å; V139-C141 PolarHBondContact O-N 3Å; C141-V144 PolarHBondContact O-N 3.19Å; C141-V145 WeakPolarHBondContact O-CG2 3.46Å; C141-V145 PolarHBondContact O-N 2.64Å |
| 142 | N | 89.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 176.1 | -175.3 | -40 | 0 | 0 | 0 | 111.2 | Y62 E108 M138 V139 V140 V144 V145 I146 | Y62-N142 WeakPolarHBondContact CE2-ND2 3.47Å; Y62-N142 PolarHBondContact OH-ND2 3.35Å; E108-N142 WeakPolarHBondContact CG-ND2 3.49Å; M138-N142 WeakPolarHBondContact O-CB 3.28Å; M138-N142 PolarHBondContact O-N 2.9Å; V139-N142 PolarHBondContact O-N 2.84Å; V140-N142 PolarHBondContact O-N 2.98Å; N142-V144 VanDerWaalsContact C-N 3.31Å; N142-V144 PolarHBondContact O-N 2.78Å; N142-V145 WeakPolarHBondContact O-CA 3.39Å; N142-V145 WeakPolarHBondContact O-CB 3.01Å; N142-V145 PolarHBondContact O-N 3.32Å; N142-I146 WeakPolarHBondContact O-CG1 3.47Å; N142-I146 PolarHBondContact O-N 3.08Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.44Å; N142-I146 WeakPolarHBondContact OD1-CG1 3.43Å |
| 143 | W | 89.8 | Confident | 85.9 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 176.3 | -83.9 | 98.5 | 0 | 0 | 0 | 113.5 | F109 I113 I116 V139 V140 L147 | F109-W143 HydrophobicContact CD2-CH2 4.2Å; F109-W143 AromaticContact CE2-CH2 3.57Å; F109-W143 HydrophobicContact CE2-CH2 3.57Å; F109-W143 HydrophobicContact CE2-CZ2 4.42Å; F109-W143 AromaticContact CE2-CZ3 3.97Å; F109-W143 HydrophobicContact CE2-CZ3 3.97Å; F109-W143 HydrophobicContact CZ-CH2 4.34Å; I113-W143 HydrophobicContact CG1-CZ2 4.19Å; I116-W143 HydrophobicContact CD1-CZ2 4.01Å; I116-W143 VanDerWaalsContact CD1-NE1 3.33Å; V139-W143 VanDerWaalsContact O-CD1 3.29Å; V139-W143 PolarHBondContact O-N 2.83Å; V140-W143 PolarHBondContact O-N 2.9Å; W143-L147 WeakPolarHBondContact O-CB 3.4Å; W143-L147 PolarHBondContact O-N 3.24Å |
| 144 | V | 88.9 | Confident | 85.5 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 171.7 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | V140 C141 N142 L147 S148 | V140-V144 WeakPolarHBondContact O-CG2 3.36Å; V140-V144 PolarHBondContact O-N 2.7Å; C141-V144 PolarHBondContact O-N 3.19Å; N142-V144 VanDerWaalsContact C-N 3.31Å; N142-V144 PolarHBondContact O-N 2.78Å; V144-L147 PolarHBondContact O-N 3Å; V144-S148 WeakPolarHBondContact O-CB 3.44Å; V144-S148 PolarHBondContact O-N 3.44Å; V144-S148 PolarHBondContact O-OG 3.37Å |
| 145 | V | 88.4 | Confident | 84.6 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -51.4 | 175 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | L25 L28 C141 N142 L147 S148 V149 | L25-V145 HydrophobicContact CD2-CG1 3.79Å; L28-V145 HydrophobicContact CD1-CG2 4.02Å; L28-V145 HydrophobicContact CD2-CG2 4.02Å; C141-V145 WeakPolarHBondContact O-CG2 3.46Å; C141-V145 PolarHBondContact O-N 2.64Å; N142-V145 WeakPolarHBondContact O-CA 3.39Å; N142-V145 WeakPolarHBondContact O-CB 3.01Å; N142-V145 PolarHBondContact O-N 3.32Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.99Å; V145-S148 PolarHBondContact O-N 3.03Å; V145-S148 VanDerWaalsContact O-N 3.16Å; V145-S148 PolarHBondContact O-OG 2.93Å; V145-V149 HydrophobicContact CG1-CG2 4.49Å; V145-V149 WeakPolarHBondContact O-CG2 3.28Å; V145-V149 PolarHBondContact O-N 3.27Å |
| 146 | I | 87.7 | Confident | 84 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 177.4 | -69.3 | 177.9 | 0 | 0 | 0 | 111.1 | L105 F109 N142 S148 V149 C150 | L105-I146 HydrophobicContact CD1-CG1 4.22Å; F109-I146 HydrophobicContact CB-CD1 4.1Å; F109-I146 HydrophobicContact CD2-CD1 4.13Å; F109-I146 HydrophobicContact CD2-CG2 4.36Å; N142-I146 WeakPolarHBondContact O-CG1 3.47Å; N142-I146 PolarHBondContact O-N 3.08Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.44Å; N142-I146 WeakPolarHBondContact OD1-CG1 3.43Å; I146-S148 PolarHBondContact O-N 3.49Å; I146-V149 PolarHBondContact O-N 3.5Å; I146-C150 PolarHBondContact O-N 3.27Å; I146-C150 PolarHBondContact O-SG 3.3Å; I146-C150 VanDerWaalsContact O-SG 3.38Å |
| 147 | L | 85.7 | Confident | 83.5 | Confident | 106 Ų | 106 | 52.5 Ų | 52.5 | 56% | 0.555 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 178.8 | -176.5 | 144 | 0 | 0 | 0 | 112.2 | W143 V144 V145 C150 I151 | W143-L147 WeakPolarHBondContact O-CB 3.4Å; W143-L147 PolarHBondContact O-N 3.24Å; V144-L147 PolarHBondContact O-N 3Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.99Å; L147-C150 PolarHBondContact O-N 2.62Å; L147-I151 HydrophobicContact CD2-CD1 3.6Å; L147-I151 HydrophobicContact CD2-CG1 4.48Å; L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 WeakPolarHBondContact O-CG1 3.36Å; L147-I151 PolarHBondContact O-N 2.85Å |
| 148 | S | 85 | Confident | 82.6 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.2 | -34.9 | 175.1 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | V144 V145 I146 I151 T152 | V144-S148 WeakPolarHBondContact O-CB 3.44Å; V144-S148 PolarHBondContact O-N 3.44Å; V144-S148 PolarHBondContact O-OG 3.37Å; V145-S148 PolarHBondContact O-N 3.03Å; V145-S148 VanDerWaalsContact O-N 3.16Å; V145-S148 PolarHBondContact O-OG 2.93Å; I146-S148 PolarHBondContact O-N 3.49Å; S148-I151 PolarHBondContact O-N 3.44Å; S148-T152 WeakPolarHBondContact O-CB 3.43Å; S148-T152 WeakPolarHBondContact O-CG2 3.34Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 PolarHBondContact O-OG1 3.29Å |
| 149 | V | 85.7 | Confident | 81.5 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 21% | 0.212 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 171.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L105 V145 I146 T152 V153 | L105-V149 HydrophobicContact CD2-CG1 3.83Å; V145-V149 HydrophobicContact CG1-CG2 4.49Å; V145-V149 WeakPolarHBondContact O-CG2 3.28Å; V145-V149 PolarHBondContact O-N 3.27Å; I146-V149 PolarHBondContact O-N 3.5Å; V149-T152 WeakPolarHBondContact CA-OG1 3.25Å; V149-T152 PolarHBondContact O-OG1 3.07Å; V149-T152 VanDerWaalsContact O-OG1 3.1Å; V149-V153 HydrophobicContact CG1-CG2 4.35Å; V149-V153 VanDerWaalsContact O-CB 3.29Å; V149-V153 WeakPolarHBondContact O-CB 3.35Å; V149-V153 WeakPolarHBondContact O-CG2 3.01Å; V149-V153 PolarHBondContact O-N 3.5Å |
| 150 | C | 82.8 | Confident | 80.2 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | I146 L147 L154 | I146-C150 PolarHBondContact O-N 3.27Å; I146-C150 PolarHBondContact O-SG 3.3Å; I146-C150 VanDerWaalsContact O-SG 3.38Å; L147-C150 PolarHBondContact O-N 2.62Å; C150-L154 VanDerWaalsContact O-CG 3.28Å; C150-L154 WeakPolarHBondContact O-CG 3.44Å; C150-L154 PolarHBondContact O-N 2.9Å |
| 151 | I | 77.6 | Confident | 79.1 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 46% | 0.456 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 177.6 | -69.3 | 171.9 | 0 | 0 | 0 | 111 | L147 S148 V153 L154 C155 | L147-I151 HydrophobicContact CD2-CD1 3.6Å; L147-I151 HydrophobicContact CD2-CG1 4.48Å; L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 WeakPolarHBondContact O-CG1 3.36Å; L147-I151 PolarHBondContact O-N 2.85Å; S148-I151 PolarHBondContact O-N 3.44Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.14Å; I151-L154 WeakPolarHBondContact O-CB 3.32Å; I151-L154 PolarHBondContact O-N 3.28Å; I151-L154 VanDerWaalsContact O-N 3.08Å; I151-C155 PolarHBondContact O-N 3.45Å; I151-C155 PolarHBondContact O-SG 3.22Å; I151-C155 VanDerWaalsContact O-SG 3.37Å |
| 152 | T | 78.7 | Confident | 78 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 180 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | S148 V149 L154 C155 V156 | S148-T152 WeakPolarHBondContact O-CB 3.43Å; S148-T152 WeakPolarHBondContact O-CG2 3.34Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 PolarHBondContact O-OG1 3.29Å; V149-T152 WeakPolarHBondContact CA-OG1 3.25Å; V149-T152 PolarHBondContact O-OG1 3.07Å; V149-T152 VanDerWaalsContact O-OG1 3.1Å; T152-L154 PolarHBondContact O-N 2.84Å; T152-C155 PolarHBondContact O-N 3.07Å; T152-V156 WeakPolarHBondContact O-CB 3.33Å; T152-V156 VanDerWaalsContact O-CG2 3.25Å; T152-V156 WeakPolarHBondContact O-CG2 3.35Å; T152-V156 PolarHBondContact O-N 3.36Å |
| 153 | V | 81.1 | Confident | 76.8 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 171.4 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | W11 V149 I151 V156 F157 | W11-V153 HydrophobicContact CH2-CG1 4.23Å; W11-V153 HydrophobicContact CZ3-CG1 4.1Å; V149-V153 HydrophobicContact CG1-CG2 4.35Å; V149-V153 VanDerWaalsContact O-CB 3.29Å; V149-V153 WeakPolarHBondContact O-CB 3.35Å; V149-V153 WeakPolarHBondContact O-CG2 3.01Å; V149-V153 PolarHBondContact O-N 3.5Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.14Å; V153-V156 PolarHBondContact O-N 3.09Å; V153-F157 WeakPolarHBondContact O-CB 3.46Å; V153-F157 PolarHBondContact O-N 3.29Å |
| 154 | L | 74.7 | Confident | 75.6 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 177.8 | -73.8 | 167.5 | 0 | 0 | 0 | 112.6 | C150 I151 T152 | C150-L154 VanDerWaalsContact O-CG 3.28Å; C150-L154 WeakPolarHBondContact O-CG 3.44Å; C150-L154 PolarHBondContact O-N 2.9Å; I151-L154 WeakPolarHBondContact O-CB 3.32Å; I151-L154 PolarHBondContact O-N 3.28Å; I151-L154 VanDerWaalsContact O-N 3.08Å; T152-L154 PolarHBondContact O-N 2.84Å |
| 155 | C | 67.6 | Low | 74.5 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 176.4 | -65.9 | 0 | 0 | 0 | 0 | 112 | I151 T152 R197 F201 | I151-C155 PolarHBondContact O-N 3.45Å; I151-C155 PolarHBondContact O-SG 3.22Å; I151-C155 VanDerWaalsContact O-SG 3.37Å; T152-C155 PolarHBondContact O-N 3.07Å; C155-R197 PolarHBondContact O-NE 3.44Å; C155-R197 PolarHBondContact O-NH2 3.16Å; C155-F201 HydrophobicContact CB-CE2 4.11Å |
| 156 | V | 71.7 | Confident | 73.5 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -79 | -21 | -175.2 | 175.3 | 0 | 0 | 0 | 0 | 113.1 | W11 S12 V13 T152 V153 D158 R197 | W11-V156 HydrophobicContact CB-CG1 4.37Å; W11-V156 HydrophobicContact CE3-CG1 4.2Å; S12-V156 PolarHBondContact N-O 2.96Å; S12-V156 PolarHBondContact OG-O 3.34Å; S12-V156 VanDerWaalsContact OG-O 3.11Å; V13-V156 HydrophobicContact CB-CG1 3.58Å; V13-V156 HydrophobicContact CG2-CB 4.29Å; V13-V156 HydrophobicContact CG2-CG1 3.46Å; V13-V156 VanDerWaalsContact CG2-CG1 3.46Å; V13-V156 HydrophobicContact CG2-CG2 3.74Å; T152-V156 WeakPolarHBondContact O-CB 3.33Å; T152-V156 VanDerWaalsContact O-CG2 3.25Å; T152-V156 WeakPolarHBondContact O-CG2 3.35Å; T152-V156 PolarHBondContact O-N 3.36Å; V153-V156 PolarHBondContact O-N 3.09Å; V156-D158 PolarHBondContact O-N 2.99Å; V156-R197 PolarHBondContact O-NH2 2.89Å |
| 157 | F | 75.8 | Confident | 72.3 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | trans | -61.9 | 120.2 | 178.9 | -179.6 | -85 | 0 | 0 | 0 | 112.2 | R9 W11 V153 P159 R197 | R9-F157 VanDerWaalsContact CZ-CZ 3.44Å; W11-F157 HydrophobicContact CE3-CB 4.23Å; W11-F157 AromaticContact CH2-CD2 3.79Å; W11-F157 HydrophobicContact CH2-CD2 3.79Å; W11-F157 HydrophobicContact CZ2-CD2 4.4Å; W11-F157 HydrophobicContact CZ3-CB 3.82Å; W11-F157 AromaticContact CZ3-CD2 3.86Å; W11-F157 HydrophobicContact CZ3-CD2 3.86Å; W11-F157 HydrophobicContact CZ3-CG 4.3Å; V153-F157 WeakPolarHBondContact O-CB 3.46Å; V153-F157 PolarHBondContact O-N 3.29Å; F157-P159 HydrophobicContact CE1-CB 4.33Å; F157-R197 PolarHBondContact O-NH2 3.06Å; F157-R197 VanDerWaalsContact O-NH2 3.16Å | ||
| 158 | D | 68.4 | Low | 71.2 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | trans | -96.7 | 112.7 | 174.7 | 175 | 5.3 | 0 | 0 | 0 | 109.9 | R9 V156 T160 G161 | R9-D158 WeakPolarHBondContact CD-O 3.34Å; R9-D158 PolarHBondContact NE-O 3.19Å; V156-D158 PolarHBondContact O-N 2.99Å; D158-T160 VanDerWaalsContact CG-OG1 3.27Å; D158-T160 PolarHBondContact O-N 2.72Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.24Å; D158-T160 PolarHBondContact OD1-N 2.72Å; D158-T160 PolarHBondContact OD1-OG1 2.83Å; D158-T160 PolarHBondContact OD2-OG1 3.21Å; D158-T160 VanDerWaalsContact OD2-OG1 3.11Å; D158-G161 PolarHBondContact O-N 2.92Å; D158-G161 PolarHBondContact OD1-N 2.85Å; D158-G161 PolarHBondContact OD2-N 2.66Å | ||
| 159 | P | 64.7 | Low | 70 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33 | 177.2 | 27.1 | -32.9 | 0 | 0 | 0 | 111.8 | R9 F157 G161 S193 | R9-P159 PolarHBondContact NH2-O 2.87Å; F157-P159 HydrophobicContact CE1-CB 4.33Å; P159-G161 VanDerWaalsContact C-N 3.34Å; P159-G161 PolarHBondContact O-N 3.09Å; P159-S193 WeakPolarHBondContact CD-OG 3.5Å |
| 160 | T | 61.6 | Low | 68.6 | Low | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.1 | -178.2 | 79.3 | 0 | 0 | 0 | 0 | 114 | D158 R162 T163 F164 G189 | D158-T160 VanDerWaalsContact CG-OG1 3.27Å; D158-T160 PolarHBondContact O-N 2.72Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.24Å; D158-T160 PolarHBondContact OD1-N 2.72Å; D158-T160 PolarHBondContact OD1-OG1 2.83Å; D158-T160 PolarHBondContact OD2-OG1 3.21Å; D158-T160 VanDerWaalsContact OD2-OG1 3.11Å; T160-R162 CarbonylContact O-C 3.56Å; T160-R162 PolarHBondContact O-N 3.11Å; T160-T163 WeakPolarHBondContact O-CA 3.36Å; T160-T163 VanDerWaalsContact O-CB 3.31Å; T160-T163 WeakPolarHBondContact O-CB 3.22Å; T160-T163 PolarHBondContact O-N 2.93Å; T160-F164 PolarHBondContact O-N 3.49Å; T160-F164 VanDerWaalsContact O-N 3.08Å; T160-G189 VanDerWaalsContact CG2-CA 3.44Å; T160-G189 WeakPolarHBondContact CG2-O 3.38Å |
| 161 | G | 65.6 | Low | 67.2 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -15.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R10 D158 P159 V165 | R10-G161 PolarHBondContact N-O 3.01Å; R10-G161 WeakPolarHBondContact O-CA 3.4Å; D158-G161 PolarHBondContact O-N 2.92Å; D158-G161 PolarHBondContact OD1-N 2.85Å; D158-G161 PolarHBondContact OD2-N 2.66Å; P159-G161 VanDerWaalsContact C-N 3.34Å; P159-G161 PolarHBondContact O-N 3.09Å; G161-V165 VanDerWaalsContact O-CG2 3.32Å; G161-V165 WeakPolarHBondContact O-CG2 3.35Å; G161-V165 PolarHBondContact O-N 2.9Å |
| 162 | R | 68.1 | Low | 66 | Low | 139 Ų | 139 | 72.1 Ų | 72.1 | 53% | 0.525 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.9 | -38.7 | 168.2 | -72.4 | -175.3 | 170.4 | 172.1 | -1.6 | 112.7 | R9 T160 K166 | R9-R162 HydrophobicContact CB-CG 3.85Å; R9-R162 HydrophobicContact CG-CG 4.38Å; T160-R162 CarbonylContact O-C 3.56Å; T160-R162 PolarHBondContact O-N 3.11Å; R162-K166 WeakPolarHBondContact O-CG 3.31Å; R162-K166 PolarHBondContact O-N 3.12Å; R162-K166 VanDerWaalsContact O-N 3.14Å |
| 163 | T | 63.7 | Low | 64.6 | Low | 47 Ų | 47 | 79 Ų | 79 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 173.9 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | T160 K166 L167 L182 L186 | T160-T163 WeakPolarHBondContact O-CA 3.36Å; T160-T163 VanDerWaalsContact O-CB 3.31Å; T160-T163 WeakPolarHBondContact O-CB 3.22Å; T160-T163 PolarHBondContact O-N 2.93Å; T163-K166 WeakPolarHBondContact O-CB 3.32Å; T163-K166 PolarHBondContact O-N 3.47Å; T163-L167 PolarHBondContact O-N 3.36Å; T163-L182 HydrophobicContact CG2-CD1 3.94Å; T163-L186 HydrophobicContact CG2-CD1 4.11Å; T163-L186 HydrophobicContact CG2-CG 3.95Å |
| 164 | F | 64.5 | Low | 62.8 | Low | 30 Ų | 30 | 82.1 Ų | 82.1 | 13% | 0.132 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 174.7 | -175.4 | -95.4 | 0 | 0 | 0 | 112.5 | R10 T160 K166 L167 R168 L186 D230 | R10-F164 HydrophobicContact CB-CD1 4.11Å; R10-F164 VanDerWaalsContact CD-CD1 3.48Å; R10-F164 HydrophobicContact CG-CD1 4.42Å; T160-F164 PolarHBondContact O-N 3.49Å; T160-F164 VanDerWaalsContact O-N 3.08Å; F164-K166 VanDerWaalsContact C-N 3.31Å; F164-K166 PolarHBondContact O-N 3.07Å; F164-L167 PolarHBondContact O-N 2.89Å; F164-R168 WeakPolarHBondContact O-CB 3.28Å; F164-R168 PolarHBondContact O-N 2.98Å; F164-L186 HydrophobicContact CB-CD2 3.95Å; F164-L186 HydrophobicContact CD2-CD2 4.35Å; F164-D230 WeakPolarHBondContact CZ-OD1 3.31Å |
| 165 | V | 66.3 | Low | 61.6 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | V5 G161 R168 A169 | V5-V165 HydrophobicContact CG1-CG2 3.99Å; V5-V165 HydrophobicContact CG2-CG2 4.35Å; G161-V165 VanDerWaalsContact O-CG2 3.32Å; G161-V165 WeakPolarHBondContact O-CG2 3.35Å; G161-V165 PolarHBondContact O-N 2.9Å; V165-R168 PolarHBondContact O-N 2.9Å; V165-A169 WeakPolarHBondContact O-CB 3.45Å; V165-A169 PolarHBondContact O-N 3.48Å |
| 166 | K | 67.6 | Low | 60.6 | Low | 147 Ų | 147 | 92 Ų | 92 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 173 | -74.5 | 176.4 | 176.2 | -174.2 | 0 | 112.4 | R162 T163 F164 A169 T170 | R162-K166 WeakPolarHBondContact O-CG 3.31Å; R162-K166 PolarHBondContact O-N 3.12Å; R162-K166 VanDerWaalsContact O-N 3.14Å; T163-K166 WeakPolarHBondContact O-CB 3.32Å; T163-K166 PolarHBondContact O-N 3.47Å; F164-K166 VanDerWaalsContact C-N 3.31Å; F164-K166 PolarHBondContact O-N 3.07Å; K166-A169 PolarHBondContact O-N 2.92Å; K166-T170 PolarHBondContact O-N 3.49Å; K166-T170 PolarHBondContact O-OG1 3.44Å |
| 167 | L | 61.5 | Low | 59.4 | Low | 26 Ų | 26 | 96.8 Ų | 96.8 | 14% | 0.136 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 177.9 | 179.5 | 138.6 | 0 | 0 | 0 | 112 | T163 F164 A169 T170 K171 L182 R183 L186 | T163-L167 PolarHBondContact O-N 3.36Å; F164-L167 PolarHBondContact O-N 2.89Å; L167-A169 VanDerWaalsContact C-N 3.32Å; L167-A169 PolarHBondContact O-N 3.41Å; L167-T170 WeakPolarHBondContact CA-OG1 2.91Å; L167-T170 PolarHBondContact O-N 3.46Å; L167-T170 PolarHBondContact O-OG1 3.19Å; L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 2.91Å; L167-K171 PolarHBondContact O-N 3.27Å; L167-L182 HydrophobicContact CB-CD2 3.89Å; L167-L182 HydrophobicContact CB-CG 4.21Å; L167-L182 HydrophobicContact CD1-CB 4.04Å; L167-L182 HydrophobicContact CD1-CD2 4.15Å; L167-L182 HydrophobicContact CD1-CG 3.89Å; L167-L182 HydrophobicContact CG-CD2 4.33Å; L167-R183 HydrophobicContact CD1-CB 4.29Å; L167-L186 HydrophobicContact CB-CD1 3.75Å; L167-L186 HydrophobicContact CD1-CD1 3.9Å; L167-L186 HydrophobicContact CD2-CD1 4.4Å; L167-L186 HydrophobicContact CG-CD1 4.2Å |
| 168 | R | 61.9 | Low | 58 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 47% | 0.468 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 175.2 | -168.6 | 168.5 | 178.5 | 140.3 | -7.4 | 112 | F164 V165 R172 D230 | F164-R168 WeakPolarHBondContact O-CB 3.28Å; F164-R168 PolarHBondContact O-N 2.98Å; V165-R168 PolarHBondContact O-N 2.9Å; R168-R172 PolarHBondContact O-N 3.34Å; R168-D230 IonicContact NH1-OD2 2.83Å; R168-D230 PolarHBondContact NH1-OD2 2.92Å |
| 169 | A | 61.5 | Low | 57.3 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V165 K166 L167 R172 | V165-A169 WeakPolarHBondContact O-CB 3.45Å; V165-A169 PolarHBondContact O-N 3.48Å; K166-A169 PolarHBondContact O-N 2.92Å; L167-A169 VanDerWaalsContact C-N 3.32Å; L167-A169 PolarHBondContact O-N 3.41Å; A169-R172 PolarHBondContact O-N 3.46Å |
| 170 | T | 56.1 | Low | 56.6 | Low | 63 Ų | 63 | 110.9 Ų | 110.9 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.6 | -32.8 | 176.4 | 55.8 | 0 | 0 | 0 | 0 | 113 | K166 L167 R172 R173 Q174 | K166-T170 PolarHBondContact O-N 3.49Å; K166-T170 PolarHBondContact O-OG1 3.44Å; L167-T170 WeakPolarHBondContact CA-OG1 2.91Å; L167-T170 PolarHBondContact O-N 3.46Å; L167-T170 PolarHBondContact O-OG1 3.19Å; T170-R172 PolarHBondContact O-N 2.73Å; T170-R173 CarbonylContact O-C 3.59Å; T170-R173 WeakPolarHBondContact O-CA 3.49Å; T170-R173 PolarHBondContact O-N 3.25Å; T170-Q174 PolarHBondContact O-N 2.89Å |
| 171 | K | 52.1 | Low | 56.3 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -26.7 | 173.4 | -171.6 | 174 | -177.9 | 177.9 | 0 | 112.9 | L167 R173 | L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 2.91Å; L167-K171 PolarHBondContact O-N 3.27Å; K171-R173 VanDerWaalsContact C-N 3.33Å |
| 172 | R | 53.5 | Low | 55.9 | Low | 233 Ų | 233 | 118.9 Ų | 118.9 | 88% | 0.879 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.4 | 168.6 | -86.2 | -171.7 | 171.5 | -178.4 | -2.8 | 114.2 | R168 A169 T170 | R168-R172 PolarHBondContact O-N 3.34Å; A169-R172 PolarHBondContact O-N 3.46Å; T170-R172 PolarHBondContact O-N 2.73Å |
| 173 | R | 47.8 | Very low | 55.3 | Low | 225 Ų | 225 | 116.6 Ų | 116.6 | 85% | 0.849 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -27.7 | -174.9 | -104.7 | -177.6 | 174.1 | -177 | -2.4 | 115.1 | T170 K171 | T170-R173 CarbonylContact O-C 3.59Å; T170-R173 WeakPolarHBondContact O-CA 3.49Å; T170-R173 PolarHBondContact O-N 3.25Å; K171-R173 VanDerWaalsContact C-N 3.33Å |
| 174 | Q | 44.3 | Very low | 54.9 | Low | 132 Ų | 132 | 119.9 Ų | 119.9 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | trans | -158.9 | 136.5 | 179.9 | -115.9 | 169.3 | -11.8 | 0 | 0 | 113.8 | T170 | T170-Q174 PolarHBondContact O-N 2.89Š| ||
| 175 | R | 49.1 | Very low | 54.6 | Low | 247 Ų | 247 | 126.2 Ų | 126.2 | 93% | 0.932 | 56% | 0.557 | S | S | * | * | trans | -91.3 | 93.4 | 160.6 | -72.4 | 179.1 | 173.3 | 135.1 | -8 | 108 | ||||
| 176 | N | 46.7 | Very low | 54.2 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -156.5 | 153.6 | -179.8 | -107.8 | -25.1 | 0 | 0 | 0 | 112.3 | R178 T179 | N176-R178 PolarHBondContact O-N 3.42Å; N176-T179 PolarHBondContact O-N 2.93Å; N176-T179 PolarHBondContact O-OG1 3.49Å |
| 177 | L | 45.9 | Very low | 53.6 | Low | 141 Ų | 141 | 119.6 Ų | 119.6 | 74% | 0.738 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | -33.7 | -166.2 | -130.8 | 72.4 | 0 | 0 | 0 | 116.5 | T179 Y180 | L177-T179 PolarHBondContact O-N 2.74Å; L177-Y180 PolarHBondContact O-N 2.78Å |
| 178 | R | 47.9 | Very low | 53.5 | Low | 228 Ų | 228 | 122.1 Ų | 122.1 | 86% | 0.86 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -53 | -22 | 173.4 | -82.8 | -177.7 | 170.5 | 167.4 | -1.9 | 114.3 | N176 Y180 L182 | N176-R178 PolarHBondContact O-N 3.42Å; R178-Y180 VanDerWaalsContact C-N 3.32Å; R178-L182 PolarHBondContact O-N 3.18Å |
| 179 | T | 52.1 | Low | 53.2 | Low | 42 Ų | 42 | 116.7 Ų | 116.7 | 26% | 0.258 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -30.2 | 174 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | N176 L177 R183 | N176-T179 PolarHBondContact O-N 2.93Å; N176-T179 PolarHBondContact O-OG1 3.49Å; L177-T179 PolarHBondContact O-N 2.74Å; T179-R183 VanDerWaalsContact O-CB 3.27Å; T179-R183 WeakPolarHBondContact O-CB 3.15Å; T179-R183 PolarHBondContact O-N 2.97Å |
| 180 | Y | 50.6 | Low | 52.9 | Low | 135 Ų | 135 | 116.4 Ų | 116.4 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -53.3 | 179.7 | -75.8 | -78.6 | 0 | 0 | 0 | 111.6 | L177 R178 L182 R183 H184 | L177-Y180 PolarHBondContact O-N 2.78Å; R178-Y180 VanDerWaalsContact C-N 3.32Å; Y180-L182 PolarHBondContact O-N 2.7Å; Y180-R183 WeakPolarHBondContact O-CA 3.39Å; Y180-R183 WeakPolarHBondContact O-CB 3.35Å; Y180-R183 PolarHBondContact O-N 3.06Å; Y180-H184 PolarHBondContact O-N 3.12Å |
| 181 | N | 56.6 | Low | 52.8 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 66% | 0.663 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -33.8 | 178.1 | -62.7 | 17.2 | 0 | 0 | 0 | 112.1 | R183 R185 | N181-R183 VanDerWaalsContact C-N 3.33Å; N181-R185 WeakPolarHBondContact O-CB 3.36Å; N181-R185 WeakPolarHBondContact O-CG 3.3Å; N181-R185 PolarHBondContact O-N 3.37Å |
| 182 | L | 55.7 | Low | 53 | Low | 55 Ų | 55 | 110.6 Ų | 110.6 | 29% | 0.288 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -76.7 | -19.4 | 175.8 | -168.2 | 63.6 | 0 | 0 | 0 | 113.2 | T163 L167 R178 Y180 | T163-L182 HydrophobicContact CG2-CD1 3.94Å; L167-L182 HydrophobicContact CB-CD2 3.89Å; L167-L182 HydrophobicContact CB-CG 4.21Å; L167-L182 HydrophobicContact CD1-CB 4.04Å; L167-L182 HydrophobicContact CD1-CD2 4.15Å; L167-L182 HydrophobicContact CD1-CG 3.89Å; L167-L182 HydrophobicContact CG-CD2 4.33Å; R178-L182 PolarHBondContact O-N 3.18Å; Y180-L182 PolarHBondContact O-N 2.7Å |
| 183 | R | 56.1 | Low | 53.1 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 35% | 0.347 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -81.3 | -45.1 | 174.4 | -162.3 | -175.1 | -174.6 | 165.6 | 0.4 | 111.1 | L167 T179 Y180 N181 R185 L186 E187 D228 | L167-R183 HydrophobicContact CD1-CB 4.29Å; T179-R183 VanDerWaalsContact O-CB 3.27Å; T179-R183 WeakPolarHBondContact O-CB 3.15Å; T179-R183 PolarHBondContact O-N 2.97Å; Y180-R183 WeakPolarHBondContact O-CA 3.39Å; Y180-R183 WeakPolarHBondContact O-CB 3.35Å; Y180-R183 PolarHBondContact O-N 3.06Å; N181-R183 VanDerWaalsContact C-N 3.33Å; R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 3.09Å; R183-L186 CarbonylContact O-C 3.37Å; R183-L186 WeakPolarHBondContact O-CA 3.46Å; R183-L186 VanDerWaalsContact O-CB 3.27Å; R183-L186 WeakPolarHBondContact O-CB 3.36Å; R183-L186 PolarHBondContact O-N 3.15Å; R183-E187 WeakPolarHBondContact CG-OE1 3.43Å; R183-E187 IonicContact NE-OE1 3.58Å; R183-E187 PolarHBondContact O-N 2.84Å; R183-D228 IonicContact NH2-OD1 3.3Å; R183-D228 PolarHBondContact NH2-OD1 3.11Å |
| 184 | H | 55.8 | Low | 53.4 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.2 | -42.5 | 171.4 | -160.6 | -85.2 | 0 | 0 | 0 | 111.7 | Y180 L186 E187 E188 | Y180-H184 PolarHBondContact O-N 3.12Å; H184-L186 PolarHBondContact O-N 2.93Å; H184-E187 VanDerWaalsContact CA-OE2 3.25Å; H184-E187 WeakPolarHBondContact CA-OE2 3.37Å; H184-E187 PolarHBondContact N-OE2 2.92Å; H184-E187 PolarHBondContact O-N 2.86Å; H184-E187 VanDerWaalsContact O-N 3.13Å; H184-E188 IonicContact CE1-OE1 2.78Å; H184-E188 IonicContact CG-OE1 2.7Å; H184-E188 IonicContact ND1-OE1 2.7Å; H184-E188 PolarHBondContact ND1-OE1 3.36Å; H184-E188 WeakPolarHBondContact O-CB 3.23Å; H184-E188 WeakPolarHBondContact O-CG 3.23Å; H184-E188 PolarHBondContact O-N 2.97Å |
| 185 | R | 58.3 | Low | 53.9 | Low | 163 Ų | 163 | 87.6 Ų | 87.6 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.7 | -9.3 | 174.2 | -67.1 | -71.4 | -109.8 | -176.1 | -5.4 | 114.7 | N181 R183 E188 | N181-R185 WeakPolarHBondContact O-CB 3.36Å; N181-R185 WeakPolarHBondContact O-CG 3.3Å; N181-R185 PolarHBondContact O-N 3.37Å; R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 3.09Å; R185-E188 WeakPolarHBondContact CD-OE2 3.4Å; R185-E188 IonicContact CZ-OE2 3.33Å; R185-E188 IonicContact NE-OE2 3.05Å; R185-E188 IonicContact NH1-OE2 2.69Å; R185-E188 PolarHBondContact NH1-OE2 3.36Å |
| 186 | L | 57.1 | Low | 54.3 | Low | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -97.7 | -33.9 | 169.9 | -101 | 156.1 | 0 | 0 | 0 | 111.5 | T163 F164 L167 R183 H184 G189 Q190 | T163-L186 HydrophobicContact CG2-CD1 4.11Å; T163-L186 HydrophobicContact CG2-CG 3.95Å; F164-L186 HydrophobicContact CB-CD2 3.95Å; F164-L186 HydrophobicContact CD2-CD2 4.35Å; L167-L186 HydrophobicContact CB-CD1 3.75Å; L167-L186 HydrophobicContact CD1-CD1 3.9Å; L167-L186 HydrophobicContact CD2-CD1 4.4Å; L167-L186 HydrophobicContact CG-CD1 4.2Å; R183-L186 CarbonylContact O-C 3.37Å; R183-L186 WeakPolarHBondContact O-CA 3.46Å; R183-L186 VanDerWaalsContact O-CB 3.27Å; R183-L186 WeakPolarHBondContact O-CB 3.36Å; R183-L186 PolarHBondContact O-N 3.15Å; H184-L186 PolarHBondContact O-N 2.93Å; L186-G189 CarbonylContact O-C 3.56Å; L186-G189 PolarHBondContact O-N 2.83Å; L186-Q190 WeakPolarHBondContact O-CB 3.32Å; L186-Q190 VanDerWaalsContact O-CG 3.31Å; L186-Q190 WeakPolarHBondContact O-CG 3.37Å; L186-Q190 PolarHBondContact O-N 2.82Å |
| 187 | E | 56 | Low | 54.8 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 172.8 | -71.8 | 146.2 | 177.4 | 0 | 0 | 110.3 | R183 H184 G189 Q190 A191 | R183-E187 WeakPolarHBondContact CG-OE1 3.43Å; R183-E187 IonicContact NE-OE1 3.58Å; R183-E187 PolarHBondContact O-N 2.84Å; H184-E187 VanDerWaalsContact CA-OE2 3.25Å; H184-E187 WeakPolarHBondContact CA-OE2 3.37Å; H184-E187 PolarHBondContact N-OE2 2.92Å; H184-E187 PolarHBondContact O-N 2.86Å; H184-E187 VanDerWaalsContact O-N 3.13Å; E187-G189 PolarHBondContact O-N 2.9Å; E187-Q190 PolarHBondContact O-N 3.07Å; E187-Q190 VanDerWaalsContact O-N 3.16Å; E187-A191 PolarHBondContact O-N 2.86Å |
| 188 | E | 58.1 | Low | 55.1 | Low | 78 Ų | 78 | 72.7 Ų | 72.7 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -46.7 | -45.6 | 165.4 | -75.3 | 166.3 | -141.1 | 0 | 0 | 111.7 | H184 R185 T192 | H184-E188 IonicContact CE1-OE1 2.78Å; H184-E188 IonicContact CG-OE1 2.7Å; H184-E188 IonicContact ND1-OE1 2.7Å; H184-E188 PolarHBondContact ND1-OE1 3.36Å; H184-E188 WeakPolarHBondContact O-CB 3.23Å; H184-E188 WeakPolarHBondContact O-CG 3.23Å; H184-E188 PolarHBondContact O-N 2.97Å; R185-E188 WeakPolarHBondContact CD-OE2 3.4Å; R185-E188 IonicContact CZ-OE2 3.33Å; R185-E188 IonicContact NE-OE2 3.05Å; R185-E188 IonicContact NH1-OE2 2.69Å; R185-E188 PolarHBondContact NH1-OE2 3.36Å; E188-T192 WeakPolarHBondContact O-CB 3.5Å; E188-T192 WeakPolarHBondContact O-CG2 3.45Å; E188-T192 PolarHBondContact O-N 3.39Å; E188-T192 VanDerWaalsContact O-N 3.07Å; E188-T192 PolarHBondContact O-OG1 2.87Å |
| 189 | G | 56.4 | Low | 55.2 | Low | 11 Ų | 11 | 65.8 Ų | 65.8 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -40.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T160 L186 E187 T192 S193 | T160-G189 VanDerWaalsContact CG2-CA 3.44Å; T160-G189 WeakPolarHBondContact CG2-O 3.38Å; L186-G189 CarbonylContact O-C 3.56Å; L186-G189 PolarHBondContact O-N 2.83Å; E187-G189 PolarHBondContact O-N 2.9Å; G189-T192 WeakPolarHBondContact CA-OG1 3.38Å; G189-T192 PolarHBondContact O-OG1 2.91Å; G189-T192 VanDerWaalsContact O-OG1 3.05Å; G189-S193 VanDerWaalsContact O-CB 3.24Å; G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.12Å |
| 190 | Q | 55.8 | Low | 54.9 | Low | 52 Ų | 52 | 67 Ų | 67 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.2 | -41.8 | -178.1 | -78.4 | 178.1 | -35.4 | 0 | 0 | 110.3 | L186 E187 T192 S193 W194 | L186-Q190 WeakPolarHBondContact O-CB 3.32Å; L186-Q190 VanDerWaalsContact O-CG 3.31Å; L186-Q190 WeakPolarHBondContact O-CG 3.37Å; L186-Q190 PolarHBondContact O-N 2.82Å; E187-Q190 PolarHBondContact O-N 3.07Å; E187-Q190 VanDerWaalsContact O-N 3.16Å; Q190-T192 PolarHBondContact O-N 2.81Å; Q190-S193 WeakPolarHBondContact O-CB 3.44Å; Q190-S193 PolarHBondContact O-N 3.49Å; Q190-W194 VanDerWaalsContact O-CD1 3.27Å; Q190-W194 PolarHBondContact O-N 3.41Å |
| 191 | A | 52.9 | Low | 54.5 | Low | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E187 S193 W194 S195 A219 | E187-A191 PolarHBondContact O-N 2.86Å; A191-S193 PolarHBondContact O-N 2.87Å; A191-W194 PolarHBondContact O-N 3.02Å; A191-S195 VanDerWaalsContact O-CB 3.27Å; A191-S195 WeakPolarHBondContact O-CB 3.43Å; A191-S195 PolarHBondContact O-N 2.81Å; A191-A219 HydrophobicContact CB-CB 4.48Å |
| 192 | T | 56.7 | Low | 53.9 | Low | 87 Ų | 87 | 63.5 Ų | 63.5 | 53% | 0.534 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 176 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | E188 G189 Q190 R196 | E188-T192 WeakPolarHBondContact O-CB 3.5Å; E188-T192 WeakPolarHBondContact O-CG2 3.45Å; E188-T192 PolarHBondContact O-N 3.39Å; E188-T192 VanDerWaalsContact O-N 3.07Å; E188-T192 PolarHBondContact O-OG1 2.87Å; G189-T192 WeakPolarHBondContact CA-OG1 3.38Å; G189-T192 PolarHBondContact O-OG1 2.91Å; G189-T192 VanDerWaalsContact O-OG1 3.05Å; Q190-T192 PolarHBondContact O-N 2.81Å; T192-R196 WeakPolarHBondContact O-CB 3.45Å; T192-R196 PolarHBondContact O-N 2.89Å |
| 193 | S | 55.5 | Low | 52.9 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | P159 G189 Q190 A191 R196 R197 | P159-S193 WeakPolarHBondContact CD-OG 3.5Å; G189-S193 VanDerWaalsContact O-CB 3.24Å; G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.12Å; Q190-S193 WeakPolarHBondContact O-CB 3.44Å; Q190-S193 PolarHBondContact O-N 3.49Å; A191-S193 PolarHBondContact O-N 2.87Å; S193-R196 PolarHBondContact O-N 2.98Å; S193-R197 WeakPolarHBondContact O-CG 3.31Å; S193-R197 PolarHBondContact O-N 2.77Å |
| 194 | W | 53.8 | Low | 51.8 | Low | 100 Ų | 100 | 67 Ų | 67 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 175 | -83.2 | 113.5 | 0 | 0 | 0 | 112.2 | Q190 A191 R196 R197 L198 A219 P233 | Q190-W194 VanDerWaalsContact O-CD1 3.27Å; Q190-W194 PolarHBondContact O-N 3.41Å; A191-W194 PolarHBondContact O-N 3.02Å; W194-R196 VanDerWaalsContact C-N 3.26Å; W194-R196 PolarHBondContact O-N 2.85Å; W194-R197 WeakPolarHBondContact O-CA 3.31Å; W194-R197 WeakPolarHBondContact O-CB 3.01Å; W194-R197 PolarHBondContact O-N 3.17Å; W194-L198 PolarHBondContact O-N 2.83Å; W194-A219 HydrophobicContact CB-CB 3.48Å; W194-A219 VanDerWaalsContact CB-CB 3.48Å; W194-A219 HydrophobicContact CG-CB 4.38Å; W194-P233 HydrophobicContact CH2-CG 4.03Å |
| 195 | S | 55.3 | Low | 50.9 | Low | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.7 | -42.3 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | A191 K199 | A191-S195 VanDerWaalsContact O-CB 3.27Å; A191-S195 WeakPolarHBondContact O-CB 3.43Å; A191-S195 PolarHBondContact O-N 2.81Å; S195-K199 WeakPolarHBondContact O-CB 3.3Å; S195-K199 WeakPolarHBondContact O-CD 3.49Å; S195-K199 WeakPolarHBondContact O-CG 3.17Å; S195-K199 PolarHBondContact O-N 3.17Å; S195-K199 WeakPolarHBondContact OG-CE 3.23Å; S195-K199 PolarHBondContact OG-NZ 2.88Å |
| 196 | R | 57.7 | Low | 49.8 | Very low | 105 Ų | 105 | 67 Ų | 67 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 175 | -166.2 | -178 | 71.5 | 148.5 | 11.6 | 113.3 | T192 S193 W194 V200 | T192-R196 WeakPolarHBondContact O-CB 3.45Å; T192-R196 PolarHBondContact O-N 2.89Å; S193-R196 PolarHBondContact O-N 2.98Å; W194-R196 VanDerWaalsContact C-N 3.26Å; W194-R196 PolarHBondContact O-N 2.85Å; R196-V200 WeakPolarHBondContact O-CB 3.19Å; R196-V200 VanDerWaalsContact O-CG2 3.23Å; R196-V200 WeakPolarHBondContact O-CG2 3.34Å; R196-V200 PolarHBondContact O-N 3.15Å |
| 197 | R | 57.5 | Low | 48.8 | Very low | 32 Ų | 32 | 70.4 Ų | 70.4 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 175.1 | -78.6 | 171.3 | 176.2 | 155.4 | 4.7 | 112 | S12 C155 V156 F157 S193 W194 K199 V200 F201 | S12-R197 PolarHBondContact OG-NH1 3.35Å; S12-R197 PolarHBondContact OG-NH2 2.95Å; C155-R197 PolarHBondContact O-NE 3.44Å; C155-R197 PolarHBondContact O-NH2 3.16Å; V156-R197 PolarHBondContact O-NH2 2.89Å; F157-R197 PolarHBondContact O-NH2 3.06Å; F157-R197 VanDerWaalsContact O-NH2 3.16Å; S193-R197 WeakPolarHBondContact O-CG 3.31Å; S193-R197 PolarHBondContact O-N 2.77Å; W194-R197 WeakPolarHBondContact O-CA 3.31Å; W194-R197 WeakPolarHBondContact O-CB 3.01Å; W194-R197 PolarHBondContact O-N 3.17Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 3.04Å; R197-V200 PolarHBondContact O-N 2.56Å; R197-F201 PolarHBondContact O-N 3.29Å |
| 198 | L | 51.1 | Low | 48.2 | Very low | 38 Ų | 38 | 76.8 Ų | 76.8 | 20% | 0.199 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.1 | -49.8 | 170.6 | -74.4 | 154.3 | 0 | 0 | 0 | 109.9 | W194 V200 F201 L202 Y215 | W194-L198 PolarHBondContact O-N 2.83Å; L198-V200 PolarHBondContact O-N 2.65Å; L198-V200 VanDerWaalsContact O-N 3.15Å; L198-F201 PolarHBondContact O-N 3.13Å; L198-L202 WeakPolarHBondContact O-CB 3.24Å; L198-L202 WeakPolarHBondContact O-CD1 3.33Å; L198-L202 PolarHBondContact O-N 2.89Å; L198-Y215 HydrophobicContact CB-CD1 4.3Å; L198-Y215 HydrophobicContact CB-CG 4.48Å; L198-Y215 HydrophobicContact CD1-CD1 3.98Å; L198-Y215 HydrophobicContact CD1-CG 4.45Å; L198-Y215 HydrophobicContact CD2-CD1 4.37Å; L198-Y215 HydrophobicContact CG-CD1 4.44Å |
| 199 | K | 49.7 | Very low | 47.7 | Very low | 84 Ų | 84 | 79.5 Ų | 79.5 | 37% | 0.365 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -15.6 | 175.4 | -70 | 163.3 | 179.7 | 163.2 | 0 | 115.4 | S195 R197 C203 S212 | S195-K199 WeakPolarHBondContact O-CB 3.3Å; S195-K199 WeakPolarHBondContact O-CD 3.49Å; S195-K199 WeakPolarHBondContact O-CG 3.17Å; S195-K199 PolarHBondContact O-N 3.17Å; S195-K199 WeakPolarHBondContact OG-CE 3.23Å; S195-K199 PolarHBondContact OG-NZ 2.88Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 3.04Å; K199-C203 WeakPolarHBondContact O-CA 3.26Å; K199-C203 PolarHBondContact O-N 2.94Å; K199-S212 VanDerWaalsContact NZ-CB 3.31Å; K199-S212 PolarHBondContact NZ-O 3.38Å; K199-S212 PolarHBondContact NZ-OG 2.96Å |
| 200 | V | 46.4 | Very low | 47.2 | Very low | 67 Ų | 67 | 82.8 Ų | 82.8 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -98 | -35.5 | 176.9 | 164.9 | 0 | 0 | 0 | 0 | 112.2 | R196 R197 L198 L202 C203 | R196-V200 WeakPolarHBondContact O-CB 3.19Å; R196-V200 VanDerWaalsContact O-CG2 3.23Å; R196-V200 WeakPolarHBondContact O-CG2 3.34Å; R196-V200 PolarHBondContact O-N 3.15Å; R197-V200 PolarHBondContact O-N 2.56Å; L198-V200 PolarHBondContact O-N 2.65Å; L198-V200 VanDerWaalsContact O-N 3.15Å; V200-L202 VanDerWaalsContact C-N 3.35Å; V200-C203 WeakPolarHBondContact O-CB 3.37Å; V200-C203 PolarHBondContact O-N 3.12Å |
| 201 | F | 42.7 | Very low | 46.7 | Very low | 136 Ų | 136 | 83.5 Ų | 83.5 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.1 | -40.8 | 167.3 | -88.1 | -93.4 | 0 | 0 | 0 | 110.5 | C155 R197 L198 C203 | C155-F201 HydrophobicContact CB-CE2 4.11Å; R197-F201 PolarHBondContact O-N 3.29Å; L198-F201 PolarHBondContact O-N 3.13Å; F201-C203 VanDerWaalsContact C-N 3.28Å; F201-C203 PolarHBondContact O-N 3.31Å |
| 202 | L | 42.7 | Very low | 46.8 | Very low | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 28.7 | 172.8 | -70.5 | 84.9 | 0 | 0 | 0 | 112.9 | L198 V200 C204 T205 | L198-L202 WeakPolarHBondContact O-CB 3.24Å; L198-L202 WeakPolarHBondContact O-CD1 3.33Å; L198-L202 PolarHBondContact O-N 2.89Å; V200-L202 VanDerWaalsContact C-N 3.35Å; L202-C204 PolarHBondContact O-N 2.87Å; L202-C204 VanDerWaalsContact O-N 3.11Å; L202-T205 PolarHBondContact O-N 3.34Å; L202-T205 PolarHBondContact O-OG1 3.39Å; L202-T205 VanDerWaalsContact O-OG1 3.07Å |
| 203 | C | 35.6 | Very low | 46.9 | Very low | 94 Ų | 94 | 85.1 Ų | 85.1 | 64% | 0.635 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24 | -174.2 | -165.6 | 0 | 0 | 0 | 0 | 113.7 | K199 V200 F201 T205 | K199-C203 WeakPolarHBondContact O-CA 3.26Å; K199-C203 PolarHBondContact O-N 2.94Å; V200-C203 WeakPolarHBondContact O-CB 3.37Å; V200-C203 PolarHBondContact O-N 3.12Å; F201-C203 VanDerWaalsContact C-N 3.28Å; F201-C203 PolarHBondContact O-N 3.31Å; C203-T205 PolarHBondContact O-N 3.28Å |
| 204 | C | 32.5 | Very low | 46.7 | Very low | 127 Ų | 127 | 85.5 Ų | 85.5 | 86% | 0.858 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.5 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | L202 | L202-C204 PolarHBondContact O-N 2.87Å; L202-C204 VanDerWaalsContact O-N 3.11Å |
| 205 | T | 36.7 | Very low | 46.8 | Very low | 26 Ų | 26 | 82.8 Ų | 82.8 | 16% | 0.16 | 42% | 0.422 | C | S | . | . | trans | -113.4 | 76.3 | -172.1 | 75.5 | 0 | 0 | 0 | 0 | 111.8 | L202 C203 T207 Q909 | L202-T205 PolarHBondContact O-N 3.34Å; L202-T205 PolarHBondContact O-OG1 3.39Å; L202-T205 VanDerWaalsContact O-OG1 3.07Å; C203-T205 PolarHBondContact O-N 3.28Å; T205-T207 PolarHBondContact O-N 2.86Å; T205-Q909 HydrophobicContact CG2-CG 3.59Å | ||
| 206 | R | 34.8 | Very low | 47 | Very low | 250 Ų | 250 | 84.1 Ų | 84.1 | 94% | 0.943 | 43% | 0.431 | S | S | * | . | trans | -72.5 | 86.7 | 177.5 | -177.4 | -178.9 | 168.7 | 171.7 | -3.5 | 111.6 | ||||
| 207 | T | 36.5 | Very low | 46.9 | Very low | 80 Ų | 80 | 83.7 Ų | 83.7 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | trans | -109.8 | 171.1 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 113 | T205 Q211 | T205-T207 PolarHBondContact O-N 2.86Å; T207-Q211 PolarHBondContact OG1-OE1 3.22Å | ||
| 208 | K | 43.5 | Very low | 46.8 | Very low | 179 Ų | 179 | 83.5 Ų | 83.5 | 78% | 0.778 | 43% | 0.434 | S | S | * | . | trans | -71.2 | 156 | -167.8 | -63.9 | 177.6 | 180 | 176.1 | 0 | 113.6 | S210 Q211 | K208-S210 VanDerWaalsContact C-N 3.26Å; K208-S210 PolarHBondContact O-N 3.21Å; K208-Q211 PolarHBondContact O-N 3.12Å | ||
| 209 | D | 47.5 | Very low | 47 | Very low | 134 Ų | 134 | 81.9 Ų | 81.9 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -32.3 | -170.8 | -50.3 | -77.6 | 0 | 0 | 0 | 114.8 | Q211 S212 | D209-Q211 PolarHBondContact O-N 2.91Å; D209-Q211 VanDerWaalsContact O-N 3.1Å; D209-S212 WeakPolarHBondContact O-CA 3.42Å; D209-S212 WeakPolarHBondContact O-CB 3.4Å; D209-S212 PolarHBondContact O-N 3.11Å |
| 210 | S | 46.1 | Very low | 47.4 | Very low | 81 Ų | 81 | 82.9 Ų | 82.9 | 57% | 0.566 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.4 | -24.7 | 176.9 | 165.6 | 0 | 0 | 0 | 0 | 114.9 | K208 | K208-S210 VanDerWaalsContact C-N 3.26Å; K208-S210 PolarHBondContact O-N 3.21Å |
| 211 | Q | 46.1 | Very low | 47.9 | Very low | 66 Ų | 66 | 82.5 Ų | 82.5 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -83 | -19.5 | 171.7 | -78 | -170.7 | -25.2 | 0 | 0 | 113 | T207 K208 D209 D213 Y215 | T207-Q211 PolarHBondContact OG1-OE1 3.22Å; K208-Q211 PolarHBondContact O-N 3.12Å; D209-Q211 PolarHBondContact O-N 2.91Å; D209-Q211 VanDerWaalsContact O-N 3.1Å; Q211-D213 PolarHBondContact O-N 3Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.41Å |
| 212 | S | 54.7 | Low | 48.7 | Very low | 36 Ų | 36 | 81.2 Ų | 81.2 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 177.5 | 143.5 | 0 | 0 | 0 | 0 | 111.8 | K199 D209 S216 | K199-S212 VanDerWaalsContact NZ-CB 3.31Å; K199-S212 PolarHBondContact NZ-O 3.38Å; K199-S212 PolarHBondContact NZ-OG 2.96Å; D209-S212 WeakPolarHBondContact O-CA 3.42Å; D209-S212 WeakPolarHBondContact O-CB 3.4Å; D209-S212 PolarHBondContact O-N 3.11Å; S212-S216 PolarHBondContact O-OG 3.5Å; S212-S216 VanDerWaalsContact O-OG 3.07Å |
| 213 | D | 59.4 | Low | 49.5 | Very low | 95 Ų | 95 | 79.6 Ų | 79.6 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.2 | -44.8 | -174 | -53.8 | -31.8 | 0 | 0 | 0 | 111.5 | Q211 Y215 S216 E217 | Q211-D213 PolarHBondContact O-N 3Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 2.74Å; D213-S216 WeakPolarHBondContact O-CA 3.29Å; D213-S216 VanDerWaalsContact O-CB 3.25Å; D213-S216 WeakPolarHBondContact O-CB 3.18Å; D213-S216 PolarHBondContact O-N 3.27Å; D213-S216 PolarHBondContact O-OG 3.03Å; D213-E217 PolarHBondContact O-N 3.19Å; D213-E217 VanDerWaalsContact O-N 3.09Å |
| 214 | A | 51.2 | Low | 50.7 | Low | 10 Ų | 10 | 77.3 Ų | 77.3 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S216 E217 I218 P403 | A214-S216 VanDerWaalsContact C-N 3.25Å; A214-S216 PolarHBondContact O-N 3.34Å; A214-E217 PolarHBondContact O-N 2.77Å; A214-I218 WeakPolarHBondContact O-CG1 3.42Å; A214-I218 PolarHBondContact O-N 3.13Å; A214-P403 HydrophobicContact CB-CB 4.45Å |
| 215 | Y | 55.5 | Low | 52.3 | Low | 44 Ų | 44 | 72.9 Ų | 72.9 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.5 | -23 | 173.4 | -67.6 | -59.3 | 0 | 0 | 0 | 113.5 | L198 Q211 D213 A219 P403 | L198-Y215 HydrophobicContact CB-CD1 4.3Å; L198-Y215 HydrophobicContact CB-CG 4.48Å; L198-Y215 HydrophobicContact CD1-CD1 3.98Å; L198-Y215 HydrophobicContact CD1-CG 4.45Å; L198-Y215 HydrophobicContact CD2-CD1 4.37Å; L198-Y215 HydrophobicContact CG-CD1 4.44Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.41Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 2.74Å; Y215-A219 WeakPolarHBondContact O-CB 3.5Å; Y215-A219 PolarHBondContact O-N 2.98Å; Y215-P403 HydrophobicContact CE1-CB 4.45Å; Y215-P403 HydrophobicContact CE1-CG 4.32Å |
| 216 | S | 58.3 | Low | 53.5 | Low | 32 Ų | 32 | 73.1 Ų | 73.1 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.6 | -41.2 | 172.3 | -19.9 | 0 | 0 | 0 | 0 | 111.6 | S212 D213 A214 A219 Y220 | S212-S216 PolarHBondContact O-OG 3.5Å; S212-S216 VanDerWaalsContact O-OG 3.07Å; D213-S216 WeakPolarHBondContact O-CA 3.29Å; D213-S216 VanDerWaalsContact O-CB 3.25Å; D213-S216 WeakPolarHBondContact O-CB 3.18Å; D213-S216 PolarHBondContact O-N 3.27Å; D213-S216 PolarHBondContact O-OG 3.03Å; A214-S216 VanDerWaalsContact C-N 3.25Å; A214-S216 PolarHBondContact O-N 3.34Å; S216-A219 CarbonylContact O-C 3.57Å; S216-A219 WeakPolarHBondContact O-CB 3.43Å; S216-A219 PolarHBondContact O-N 3.13Å; S216-Y220 WeakPolarHBondContact O-CB 3.38Å; S216-Y220 PolarHBondContact O-N 3.45Å |
| 217 | E | 56.2 | Low | 54.7 | Low | 96 Ų | 96 | 63.9 Ų | 63.9 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 177.7 | -65.4 | -54.1 | 140.9 | 0 | 0 | 111.6 | D213 A214 A219 Y220 L221 L407 | D213-E217 PolarHBondContact O-N 3.19Å; D213-E217 VanDerWaalsContact O-N 3.09Å; A214-E217 PolarHBondContact O-N 2.77Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 3.07Å; E217-Y220 WeakPolarHBondContact O-CB 3.3Å; E217-Y220 PolarHBondContact O-N 2.91Å; E217-Y220 VanDerWaalsContact O-N 3.11Å; E217-L221 WeakPolarHBondContact O-CG 3.33Å; E217-L221 PolarHBondContact O-N 3.43Å; E217-L407 HydrophobicContact CB-CD1 3.66Å; E217-L407 HydrophobicContact CB-CD2 4.27Å; E217-L407 HydrophobicContact CG-CD1 4.41Å; E217-L407 HydrophobicContact CG-CD2 4.34Å |
| 218 | I | 56 | Low | 55.5 | Low | 29 Ų | 29 | 63.3 Ų | 63.3 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 173.2 | -63.8 | 165.8 | 0 | 0 | 0 | 109.9 | A214 Y220 L221 F222 A406 L410 | A214-I218 WeakPolarHBondContact O-CG1 3.42Å; A214-I218 PolarHBondContact O-N 3.13Å; I218-Y220 PolarHBondContact O-N 3.41Å; I218-L221 PolarHBondContact O-N 2.83Å; I218-F222 HydrophobicContact CG2-CD2 3.96Å; I218-F222 HydrophobicContact CG2-CE2 4.1Å; I218-F222 WeakPolarHBondContact O-CD2 3.47Å; I218-F222 PolarHBondContact O-N 3.39Å; I218-A406 HydrophobicContact CD1-CB 4.42Å; I218-L410 HydrophobicContact CG1-CD1 4.02Å; I218-L410 HydrophobicContact CG2-CD1 4.37Å |
| 219 | A | 55.3 | Low | 56.1 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A191 W194 Y215 S216 E217 A223 | A191-A219 HydrophobicContact CB-CB 4.48Å; W194-A219 HydrophobicContact CB-CB 3.48Å; W194-A219 VanDerWaalsContact CB-CB 3.48Å; W194-A219 HydrophobicContact CG-CB 4.38Å; Y215-A219 WeakPolarHBondContact O-CB 3.5Å; Y215-A219 PolarHBondContact O-N 2.98Å; S216-A219 CarbonylContact O-C 3.57Å; S216-A219 WeakPolarHBondContact O-CB 3.43Å; S216-A219 PolarHBondContact O-N 3.13Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 3.07Å; A219-A223 VanDerWaalsContact O-CB 3.24Å; A219-A223 WeakPolarHBondContact O-CB 3.41Å; A219-A223 PolarHBondContact O-N 2.88Å |
| 220 | Y | 57.1 | Low | 56.8 | Low | 105 Ų | 105 | 52.1 Ų | 52.1 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 175.6 | 178.1 | -88.3 | 0 | 0 | 0 | 110.5 | S216 E217 I218 F222 A223 E224 | S216-Y220 WeakPolarHBondContact O-CB 3.38Å; S216-Y220 PolarHBondContact O-N 3.45Å; E217-Y220 WeakPolarHBondContact O-CB 3.3Å; E217-Y220 PolarHBondContact O-N 2.91Å; E217-Y220 VanDerWaalsContact O-N 3.11Å; I218-Y220 PolarHBondContact O-N 3.41Å; Y220-F222 PolarHBondContact O-N 3.27Å; Y220-A223 CarbonylContact O-C 3.6Å; Y220-A223 WeakPolarHBondContact O-CA 3.49Å; Y220-A223 WeakPolarHBondContact O-CB 3.25Å; Y220-A223 PolarHBondContact O-N 2.7Å; Y220-A223 VanDerWaalsContact O-N 3.07Å; Y220-E224 PolarHBondContact O-N 3.4Å |
| 221 | L | 57.4 | Low | 57.8 | Low | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.2 | -69.3 | 162.4 | 0 | 0 | 0 | 112.2 | E217 I218 E224 F225 L407 L410 | E217-L221 WeakPolarHBondContact O-CG 3.33Å; E217-L221 PolarHBondContact O-N 3.43Å; I218-L221 PolarHBondContact O-N 2.83Å; L221-E224 PolarHBondContact O-N 3.02Å; L221-F225 WeakPolarHBondContact O-CB 3.23Å; L221-F225 PolarHBondContact O-N 2.65Å; L221-L407 HydrophobicContact CD1-CD1 4.33Å; L221-L410 HydrophobicContact CD1-CB 3.93Å; L221-L410 HydrophobicContact CD1-CD1 4.22Å |
| 222 | F | 60.3 | Low | 59 | Low | 110 Ų | 110 | 46.6 Ų | 46.6 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.7 | -38.2 | 171 | -91.9 | -96 | 0 | 0 | 0 | 112.3 | I218 Y220 F226 | I218-F222 HydrophobicContact CG2-CD2 3.96Å; I218-F222 HydrophobicContact CG2-CE2 4.1Å; I218-F222 WeakPolarHBondContact O-CD2 3.47Å; I218-F222 PolarHBondContact O-N 3.39Å; Y220-F222 PolarHBondContact O-N 3.27Å; F222-F226 HydrophobicContact CD1-CE2 4.28Å; F222-F226 WeakPolarHBondContact O-CD2 3.26Å; F222-F226 PolarHBondContact O-N 2.69Å; F222-F226 VanDerWaalsContact O-N 3.15Å |
| 223 | A | 58.8 | Low | 59.7 | Low | 15 Ų | 15 | 47.3 Ų | 47.3 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A219 Y220 F226 R227 | A219-A223 VanDerWaalsContact O-CB 3.24Å; A219-A223 WeakPolarHBondContact O-CB 3.41Å; A219-A223 PolarHBondContact O-N 2.88Å; Y220-A223 CarbonylContact O-C 3.6Å; Y220-A223 WeakPolarHBondContact O-CA 3.49Å; Y220-A223 WeakPolarHBondContact O-CB 3.25Å; Y220-A223 PolarHBondContact O-N 2.7Å; Y220-A223 VanDerWaalsContact O-N 3.07Å; A223-F226 CarbonylContact O-C 3.57Å; A223-R227 WeakPolarHBondContact O-CA 3.36Å; A223-R227 WeakPolarHBondContact O-CB 3.41Å; A223-R227 PolarHBondContact O-N 3.02Å |
| 224 | E | 61.3 | Low | 60.5 | Low | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -46.5 | 173.6 | 174.9 | 144.6 | -135 | 0 | 0 | 111.5 | Y220 L221 F226 R227 | Y220-E224 PolarHBondContact O-N 3.4Å; L221-E224 PolarHBondContact O-N 3.02Å; E224-F226 PolarHBondContact O-N 3.33Å; E224-R227 VanDerWaalsContact O-CB 3.26Å; E224-R227 WeakPolarHBondContact O-CB 3.36Å; E224-R227 PolarHBondContact O-N 3.42Å; E224-R227 IonicContact OE1-CZ 2.8Å; E224-R227 IonicContact OE1-NH1 3.73Å; E224-R227 PolarHBondContact OE1-NH1 3.06Å |
| 225 | F | 65.6 | Low | 61.9 | Low | 33 Ų | 33 | 43.4 Ų | 43.4 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -30.1 | 177.5 | -175 | -107.4 | 0 | 0 | 0 | 112.8 | L221 L534 F537 R538 | L221-F225 WeakPolarHBondContact O-CB 3.23Å; L221-F225 PolarHBondContact O-N 2.65Å; F225-L534 HydrophobicContact CD2-CD2 4.03Å; F225-L534 HydrophobicContact CD2-CG 4.27Å; F225-L534 HydrophobicContact CE2-CD1 4.42Å; F225-L534 HydrophobicContact CE2-CD2 3.84Å; F225-L534 HydrophobicContact CE2-CG 3.57Å; F225-L534 HydrophobicContact CZ-CD1 4.19Å; F225-L534 HydrophobicContact CZ-CD2 4.36Å; F225-L534 HydrophobicContact CZ-CG 3.82Å; F225-F537 HydrophobicContact CZ-CD1 4.25Å; F225-R538 HydrophobicContact CE1-CB 4.47Å; F225-R538 HydrophobicContact CE2-CB 3.74Å; F225-R538 HydrophobicContact CE2-CG 4.19Å; F225-R538 HydrophobicContact CZ-CB 3.56Å; F225-R538 HydrophobicContact CZ-CG 4.06Å; F225-R538 VanDerWaalsContact O-CD 3.32Å; F225-R538 WeakPolarHBondContact O-CD 3.25Å; F225-R538 PolarHBondContact O-NE 3.35Å; F225-R538 PolarHBondContact O-NH1 3.07Å |
| 226 | F | 62.8 | Low | 63.1 | Low | 32 Ų | 32 | 43.1 Ų | 43.1 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 13.7 | 173.8 | -64.8 | -69.2 | 0 | 0 | 0 | 114.7 | F222 A223 E224 D228 L229 I231 I236 L541 | F222-F226 HydrophobicContact CD1-CE2 4.28Å; F222-F226 WeakPolarHBondContact O-CD2 3.26Å; F222-F226 PolarHBondContact O-N 2.69Å; F222-F226 VanDerWaalsContact O-N 3.15Å; A223-F226 CarbonylContact O-C 3.57Å; E224-F226 PolarHBondContact O-N 3.33Å; F226-D228 VanDerWaalsContact C-N 3.28Å; F226-D228 PolarHBondContact O-N 3.44Å; F226-L229 HydrophobicContact CD1-CD1 3.94Å; F226-L229 WeakPolarHBondContact O-CA 3.36Å; F226-L229 VanDerWaalsContact O-CB 3.32Å; F226-L229 WeakPolarHBondContact O-CB 3.44Å; F226-L229 PolarHBondContact O-N 2.68Å; F226-I231 HydrophobicContact CD1-CD1 4.28Å; F226-I236 HydrophobicContact CD2-CD1 4.47Å; F226-I236 HydrophobicContact CE1-CD1 4.17Å; F226-I236 HydrophobicContact CE1-CG1 4.34Å; F226-I236 HydrophobicContact CE2-CD1 3.71Å; F226-I236 HydrophobicContact CZ-CD1 3.54Å; F226-I236 HydrophobicContact CZ-CG1 4.09Å; F226-L541 HydrophobicContact CE1-CD2 4.37Å |
| 227 | R | 58.7 | Low | 64.1 | Low | 56 Ų | 56 | 43.3 Ų | 43.3 | 21% | 0.211 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -37 | -166.7 | -174.9 | 179.7 | 61.3 | -139.7 | -10.4 | 115.8 | A223 E224 L229 L589 | A223-R227 WeakPolarHBondContact O-CA 3.36Å; A223-R227 WeakPolarHBondContact O-CB 3.41Å; A223-R227 PolarHBondContact O-N 3.02Å; E224-R227 VanDerWaalsContact O-CB 3.26Å; E224-R227 WeakPolarHBondContact O-CB 3.36Å; E224-R227 PolarHBondContact O-N 3.42Å; E224-R227 IonicContact OE1-CZ 2.8Å; E224-R227 IonicContact OE1-NH1 3.73Å; E224-R227 PolarHBondContact OE1-NH1 3.06Å; R227-L229 VanDerWaalsContact C-N 3.28Å; R227-L589 VanDerWaalsContact NH1-CD2 3.32Å |
| 228 | D | 53.4 | Low | 65.4 | Low | 67 Ų | 67 | 38.7 Ų | 38.7 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 8.1 | -173.7 | -47 | -65.7 | 0 | 0 | 0 | 112 | R183 F226 R538 | R183-D228 IonicContact NH2-OD1 3.3Å; R183-D228 PolarHBondContact NH2-OD1 3.11Å; F226-D228 VanDerWaalsContact C-N 3.28Å; F226-D228 PolarHBondContact O-N 3.44Å; D228-R538 IonicContact OD2-CZ 3.55Å; D228-R538 IonicContact OD2-NH2 3.94Å; D228-R538 PolarHBondContact OD2-NH2 2.75Å |
| 229 | L | 57.4 | Low | 66.8 | Low | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | trans | -128.1 | 107.4 | -163.6 | -55.1 | 169.8 | 0 | 0 | 0 | 110.8 | F226 R227 I231 L542 | F226-L229 HydrophobicContact CD1-CD1 3.94Å; F226-L229 WeakPolarHBondContact O-CA 3.36Å; F226-L229 VanDerWaalsContact O-CB 3.32Å; F226-L229 WeakPolarHBondContact O-CB 3.44Å; F226-L229 PolarHBondContact O-N 2.68Å; R227-L229 VanDerWaalsContact C-N 3.28Å; L229-I231 VanDerWaalsContact C-N 3.29Å; L229-I231 HydrophobicContact CB-CB 4.46Å; L229-I231 HydrophobicContact CB-CD1 3.84Å; L229-I231 HydrophobicContact CB-CG1 4.02Å; L229-I231 HydrophobicContact CD1-CD1 4.03Å; L229-I231 HydrophobicContact CG-CD1 4.41Å; L229-I231 PolarHBondContact O-N 3.34Å; L229-L542 HydrophobicContact CD1-CD1 4.06Å; L229-L542 HydrophobicContact CD1-CD2 3.77Å; L229-L542 HydrophobicContact CD1-CG 4.28Å; L229-L542 HydrophobicContact CD2-CD1 3.91Å; L229-L542 HydrophobicContact CD2-CD2 3.46Å; L229-L542 VanDerWaalsContact CD2-CD2 3.46Å; L229-L542 HydrophobicContact CD2-CG 4.32Å; L229-L542 HydrophobicContact CG-CD2 4.21Å | ||
| 230 | D | 61.4 | Low | 68.2 | Low | 38 Ų | 38 | 37.8 Ų | 37.8 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | trans | -64.5 | 95 | 158 | -80.8 | -11.3 | 0 | 0 | 0 | 107.6 | M1 R10 F164 R168 | M1-D230 CarbonylContact C-O 3.59Å; M1-D230 VanDerWaalsContact CA-O 3.3Å; M1-D230 WeakPolarHBondContact CA-O 3.44Å; M1-D230 WeakPolarHBondContact CB-O 3.05Å; M1-D230 PolarHBondContact N-O 3.23Å; M1-D230 CarbonylContact O-C 3.59Å; R10-D230 IonicContact CZ-OD1 3.41Å; R10-D230 IonicContact NH1-OD1 2.67Å; R10-D230 PolarHBondContact NH1-OD1 3.19Å; R10-D230 IonicContact NH2-OD1 3.48Å; R10-D230 PolarHBondContact NH2-OD1 3.36Å; F164-D230 WeakPolarHBondContact CZ-OD1 3.31Å; R168-D230 IonicContact NH1-OD2 2.83Å; R168-D230 PolarHBondContact NH1-OD2 2.92Å | ||
| 231 | I | 67.1 | Low | 69.5 | Low | 26 Ų | 26 | 33 Ų | 33 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | trans | -131.1 | 143 | 179 | -83.6 | 178.9 | 0 | 0 | 0 | 109.2 | M1 F226 L229 D235 I236 L542 L545 | M1-I231 HydrophobicContact SD-CG1 4.46Å; F226-I231 HydrophobicContact CD1-CD1 4.28Å; L229-I231 VanDerWaalsContact C-N 3.29Å; L229-I231 HydrophobicContact CB-CB 4.46Å; L229-I231 HydrophobicContact CB-CD1 3.84Å; L229-I231 HydrophobicContact CB-CG1 4.02Å; L229-I231 HydrophobicContact CD1-CD1 4.03Å; L229-I231 HydrophobicContact CG-CD1 4.41Å; L229-I231 PolarHBondContact O-N 3.34Å; I231-D235 HydrophobicContact CG2-CB 4.32Å; I231-I236 HydrophobicContact CG2-CD1 4.09Å; I231-I236 HydrophobicContact CG2-CG1 3.57Å; I231-L542 HydrophobicContact CD1-CD2 4.23Å; I231-L545 HydrophobicContact CD1-CD1 4.37Å | ||
| 232 | V | 71 | Confident | 70.9 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | trans | -102.6 | 148.9 | 170.5 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | S234 D235 I236 | V232-S234 WeakPolarHBondContact CG1-OG 3.39Å; V232-S234 PolarHBondContact O-N 2.97Å; V232-S234 VanDerWaalsContact O-N 3.11Å; V232-D235 WeakPolarHBondContact CB-OD2 3.46Å; V232-D235 PolarHBondContact N-OD2 2.94Å; V232-D235 WeakPolarHBondContact O-CA 3.46Å; V232-D235 VanDerWaalsContact O-CB 3.3Å; V232-D235 WeakPolarHBondContact O-CB 3.4Å; V232-D235 PolarHBondContact O-N 3.35Å; V232-I236 PolarHBondContact O-N 3.25Å | ||
| 233 | P | 69.9 | Low | 72.1 | Confident | 51 Ų | 51 | 26.1 Ų | 26.1 | 33% | 0.331 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -54.3 | -33.2 | -179.2 | -30.2 | 37.7 | 0 | 0 | 0 | 114.5 | W194 D235 I236 I237 | W194-P233 HydrophobicContact CH2-CG 4.03Å; P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 PolarHBondContact O-N 2.86Å; P233-I236 WeakPolarHBondContact O-CB 3.42Å; P233-I236 PolarHBondContact O-N 3.3Å; P233-I236 VanDerWaalsContact O-N 3.13Å; P233-I237 PolarHBondContact O-N 3.13Å; P233-I237 VanDerWaalsContact O-N 3.15Å |
| 234 | S | 75.2 | Confident | 73.5 | Confident | 22 Ų | 22 | 29.2 Ų | 29.2 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -26.1 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | D17 V232 I237 A238 K552 | D17-S234 WeakPolarHBondContact OD1-CB 3.45Å; D17-S234 PolarHBondContact OD1-OG 2.92Å; D17-S234 PolarHBondContact OD2-OG 3.06Å; D17-S234 VanDerWaalsContact OD2-OG 3.12Å; V232-S234 WeakPolarHBondContact CG1-OG 3.39Å; V232-S234 PolarHBondContact O-N 2.97Å; V232-S234 VanDerWaalsContact O-N 3.11Å; S234-I237 PolarHBondContact O-N 3.25Å; S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 3.14Å; S234-K552 PolarHBondContact OG-NZ 2.68Å |
| 235 | D | 81.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.4 | -32.6 | 171.9 | -51.3 | -34.2 | 0 | 0 | 0 | 110.7 | M1 I85 I231 V232 P233 A238 G239 L545 K552 | M1-D235 VanDerWaalsContact CB-OD2 3.27Å; M1-D235 WeakPolarHBondContact CB-OD2 3.27Å; M1-D235 HydrophobicContact SD-CB 3.75Å; I85-D235 WeakPolarHBondContact CG2-OD1 3.3Å; I231-D235 HydrophobicContact CG2-CB 4.32Å; V232-D235 WeakPolarHBondContact CB-OD2 3.46Å; V232-D235 PolarHBondContact N-OD2 2.94Å; V232-D235 WeakPolarHBondContact O-CA 3.46Å; V232-D235 VanDerWaalsContact O-CB 3.3Å; V232-D235 WeakPolarHBondContact O-CB 3.4Å; V232-D235 PolarHBondContact O-N 3.35Å; P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 PolarHBondContact O-N 2.86Å; D235-A238 PolarHBondContact O-N 3.42Å; D235-G239 PolarHBondContact O-N 3.21Å; D235-L545 WeakPolarHBondContact O-CD2 3.38Å; D235-K552 IonicContact OD1-NZ 2.62Å; D235-K552 PolarHBondContact OD1-NZ 3.03Å |
| 236 | I | 79.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 31.8 Ų | 31.8 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 172.6 | -54.1 | 173.7 | 0 | 0 | 0 | 109.3 | F226 I231 V232 P233 G239 L240 L541 | F226-I236 HydrophobicContact CD2-CD1 4.47Å; F226-I236 HydrophobicContact CE1-CD1 4.17Å; F226-I236 HydrophobicContact CE1-CG1 4.34Å; F226-I236 HydrophobicContact CE2-CD1 3.71Å; F226-I236 HydrophobicContact CZ-CD1 3.54Å; F226-I236 HydrophobicContact CZ-CG1 4.09Å; I231-I236 HydrophobicContact CG2-CD1 4.09Å; I231-I236 HydrophobicContact CG2-CG1 3.57Å; V232-I236 PolarHBondContact O-N 3.25Å; P233-I236 WeakPolarHBondContact O-CB 3.42Å; P233-I236 PolarHBondContact O-N 3.3Å; P233-I236 VanDerWaalsContact O-N 3.13Å; I236-G239 PolarHBondContact O-N 3.25Å; I236-L240 HydrophobicContact CG2-CD1 4Å; I236-L240 HydrophobicContact CG2-CG 4.44Å; I236-L240 WeakPolarHBondContact O-CB 3.37Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.38Å; I236-L240 PolarHBondContact O-N 2.94Å; I236-L541 HydrophobicContact CG2-CD2 4.39Å |
| 237 | I | 79.9 | Confident | 76.7 | Confident | 36 Ų | 36 | 30.6 Ų | 30.6 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.7 | -63.7 | 172.1 | 0 | 0 | 0 | 110.8 | P233 S234 G239 L240 V241 I556 L923 | P233-I237 PolarHBondContact O-N 3.13Å; P233-I237 VanDerWaalsContact O-N 3.15Å; S234-I237 PolarHBondContact O-N 3.25Å; I237-G239 VanDerWaalsContact C-N 3.32Å; I237-G239 PolarHBondContact O-N 2.89Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.5Å; I237-V241 WeakPolarHBondContact O-CG2 3.22Å; I237-V241 PolarHBondContact O-N 3.15Å; I237-I556 HydrophobicContact CG2-CD1 4.4Å; I237-I556 HydrophobicContact CG2-CG1 4.37Å; I237-L923 HydrophobicContact CG2-CD1 4.11Å; I237-L923 HydrophobicContact CG2-CD2 3.84Å; I237-L923 HydrophobicContact CG2-CG 4.47Å |
| 238 | A | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I85 S234 D235 V241 L242 K552 I555 I556 | I85-A238 HydrophobicContact CD1-CB 4.06Å; S234-A238 WeakPolarHBondContact O-CB 3.49Å; S234-A238 PolarHBondContact O-N 3.14Å; D235-A238 PolarHBondContact O-N 3.42Å; A238-V241 PolarHBondContact O-N 3.25Å; A238-L242 VanDerWaalsContact O-CG 3.32Å; A238-L242 WeakPolarHBondContact O-CG 3.46Å; A238-L242 PolarHBondContact O-N 3.31Å; A238-K552 HydrophobicContact CB-CD 4.33Å; A238-K552 HydrophobicContact CB-CG 4.07Å; A238-I555 HydrophobicContact CB-CG2 4.21Å; A238-I556 HydrophobicContact CB-CG1 4.3Å |
| 239 | G | 85.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D235 I236 I237 V241 L242 L243 | D235-G239 PolarHBondContact O-N 3.21Å; I236-G239 PolarHBondContact O-N 3.25Å; I237-G239 VanDerWaalsContact C-N 3.32Å; I237-G239 PolarHBondContact O-N 2.89Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-L242 PolarHBondContact O-N 3.22Å; G239-L243 VanDerWaalsContact O-CB 3.26Å; G239-L243 WeakPolarHBondContact O-CB 3.26Å; G239-L243 PolarHBondContact O-N 3.37Å |
| 240 | L | 85.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 173.9 | -75.9 | 163.1 | 0 | 0 | 0 | 111.5 | I236 I237 L243 R244 F537 I642 F921 | I236-L240 HydrophobicContact CG2-CD1 4Å; I236-L240 HydrophobicContact CG2-CG 4.44Å; I236-L240 WeakPolarHBondContact O-CB 3.37Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.38Å; I236-L240 PolarHBondContact O-N 2.94Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.5Å; L240-L243 PolarHBondContact O-N 3.03Å; L240-R244 VanDerWaalsContact O-CB 3.29Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.3Å; L240-F537 HydrophobicContact CD2-CE2 3.8Å; L240-F537 HydrophobicContact CD2-CZ 3.75Å; L240-I642 HydrophobicContact CB-CG2 4.33Å; L240-I642 HydrophobicContact CD2-CD1 3.74Å; L240-I642 HydrophobicContact CD2-CG1 4.25Å; L240-I642 HydrophobicContact CD2-CG2 3.97Å; L240-F921 HydrophobicContact CD1-CD1 3.87Å; L240-F921 HydrophobicContact CD1-CE1 3.61Å |
| 241 | V | 83.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -50.9 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | I237 A238 G239 L243 R244 Q245 I555 A559 L923 | I237-V241 WeakPolarHBondContact O-CG2 3.22Å; I237-V241 PolarHBondContact O-N 3.15Å; A238-V241 PolarHBondContact O-N 3.25Å; G239-V241 VanDerWaalsContact C-N 3.34Å; V241-L243 VanDerWaalsContact C-N 3.31Å; V241-L243 PolarHBondContact O-N 3.05Å; V241-R244 PolarHBondContact O-N 3.42Å; V241-Q245 WeakPolarHBondContact O-CG 3.37Å; V241-Q245 PolarHBondContact O-N 3.49Å; V241-I555 HydrophobicContact CB-CG2 3.99Å; V241-I555 HydrophobicContact CG1-CG2 3.76Å; V241-A559 HydrophobicContact CB-CB 4.24Å; V241-A559 HydrophobicContact CG1-CB 3.66Å; V241-A559 HydrophobicContact CG2-CB 3.48Å; V241-A559 VanDerWaalsContact CG2-CB 3.48Å; V241-L923 HydrophobicContact CG2-CD1 3.41Å; V241-L923 VanDerWaalsContact CG2-CD1 3.41Å |
| 242 | L | 86.7 | Confident | 82.5 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 178.2 | -68.6 | 164.9 | 0 | 0 | 0 | 111.5 | I85 A238 G239 Q245 R246 V544 L545 I555 | I85-L242 HydrophobicContact CD1-CD1 4.42Å; A238-L242 VanDerWaalsContact O-CG 3.32Å; A238-L242 WeakPolarHBondContact O-CG 3.46Å; A238-L242 PolarHBondContact O-N 3.31Å; G239-L242 PolarHBondContact O-N 3.22Å; L242-Q245 PolarHBondContact O-N 3.42Å; L242-R246 WeakPolarHBondContact O-CB 3.33Å; L242-R246 PolarHBondContact O-N 3.34Å; L242-V544 HydrophobicContact CB-CB 3.88Å; L242-V544 HydrophobicContact CB-CG2 3.9Å; L242-V544 HydrophobicContact CD1-CB 4.49Å; L242-L545 HydrophobicContact CD1-CD2 4.36Å; L242-I555 HydrophobicContact CD1-CD1 4.18Å; L242-I555 HydrophobicContact CD2-CD1 4.31Å; L242-I555 HydrophobicContact CD2-CG1 4.36Å; L242-I555 HydrophobicContact CD2-CG2 4.08Å; L242-I555 HydrophobicContact CG-CD1 4.44Å; L242-I555 HydrophobicContact CG-CG2 3.86Å |
| 243 | L | 86.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 178 | -173.3 | 56.6 | 0 | 0 | 0 | 111.5 | G239 L240 V241 R246 Q247 F537 Q540 V544 I642 | G239-L243 VanDerWaalsContact O-CB 3.26Å; G239-L243 WeakPolarHBondContact O-CB 3.26Å; G239-L243 PolarHBondContact O-N 3.37Å; L240-L243 PolarHBondContact O-N 3.03Å; V241-L243 VanDerWaalsContact C-N 3.31Å; V241-L243 PolarHBondContact O-N 3.05Å; L243-R246 PolarHBondContact O-N 2.91Å; L243-Q247 HydrophobicContact CD1-CG 4.27Å; L243-Q247 HydrophobicContact CG-CG 4.42Å; L243-Q247 VanDerWaalsContact O-CB 3.27Å; L243-Q247 WeakPolarHBondContact O-CB 3.26Å; L243-Q247 VanDerWaalsContact O-CG 3.3Å; L243-Q247 WeakPolarHBondContact O-CG 3.41Å; L243-Q247 PolarHBondContact O-N 3.12Å; L243-F537 HydrophobicContact CD2-CD2 3.83Å; L243-F537 HydrophobicContact CD2-CE2 3.83Å; L243-Q540 HydrophobicContact CD1-CB 3.91Å; L243-Q540 HydrophobicContact CD2-CB 4.13Å; L243-V544 HydrophobicContact CB-CG2 4.27Å; L243-V544 HydrophobicContact CD1-CG1 4.35Å; L243-I642 HydrophobicContact CB-CG1 4.44Å; L243-I642 HydrophobicContact CD2-CD1 4.41Å; L243-I642 HydrophobicContact CD2-CG1 3.99Å; L243-I642 HydrophobicContact CG-CG1 4.09Å |
| 244 | R | 86.6 | Confident | 84 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -43 | 172 | -178.5 | 178.3 | 175.7 | -146.4 | 1.8 | 111.8 | L240 V241 R248 I642 P644 | L240-R244 VanDerWaalsContact O-CB 3.29Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.3Å; V241-R244 PolarHBondContact O-N 3.42Å; R244-R248 WeakPolarHBondContact O-CB 2.99Å; R244-R248 PolarHBondContact O-N 2.8Å; R244-I642 HydrophobicContact CB-CB 4.03Å; R244-I642 HydrophobicContact CB-CG2 3.94Å; R244-P644 VanDerWaalsContact CZ-CD 3.45Å |
| 245 | Q | 83.9 | Confident | 84.3 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -50.3 | 175.7 | -73.9 | 177.1 | -3.7 | 0 | 0 | 111 | V241 L242 R248 A249 G558 | V241-Q245 WeakPolarHBondContact O-CG 3.37Å; V241-Q245 PolarHBondContact O-N 3.49Å; L242-Q245 PolarHBondContact O-N 3.42Å; Q245-R248 WeakPolarHBondContact O-CB 3.45Å; Q245-R248 PolarHBondContact O-N 2.78Å; Q245-R248 VanDerWaalsContact O-N 3.09Å; Q245-A249 PolarHBondContact O-N 2.94Å; Q245-G558 PolarHBondContact NE2-O 3.05Å |
| 246 | R | 86.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 178.3 | -173.7 | 177.8 | -179.6 | -170.2 | 5.8 | 113.2 | L242 L243 R248 A249 K250 D543 | L242-R246 WeakPolarHBondContact O-CB 3.33Å; L242-R246 PolarHBondContact O-N 3.34Å; L243-R246 PolarHBondContact O-N 2.91Å; R246-R248 VanDerWaalsContact C-N 3.27Å; R246-R248 PolarHBondContact O-N 3.45Å; R246-A249 PolarHBondContact O-N 2.86Å; R246-K250 WeakPolarHBondContact O-CB 3.16Å; R246-K250 PolarHBondContact O-N 2.81Å; R246-D543 IonicContact CZ-OD2 2.65Å; R246-D543 IonicContact NH1-OD2 2.8Å; R246-D543 PolarHBondContact NH1-OD2 2.69Å; R246-D543 IonicContact NH2-OD2 3.33Å; R246-D543 PolarHBondContact NH2-OD2 2.71Å |
| 247 | Q | 87.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -32.9 | 173 | -77.2 | -172.8 | -0.8 | 0 | 0 | 111.9 | L243 R251 V640 I642 | L243-Q247 HydrophobicContact CD1-CG 4.27Å; L243-Q247 HydrophobicContact CG-CG 4.42Å; L243-Q247 VanDerWaalsContact O-CB 3.27Å; L243-Q247 WeakPolarHBondContact O-CB 3.26Å; L243-Q247 VanDerWaalsContact O-CG 3.3Å; L243-Q247 WeakPolarHBondContact O-CG 3.41Å; L243-Q247 PolarHBondContact O-N 3.12Å; Q247-R251 VanDerWaalsContact C-NH1 3.27Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-N 3.47Å; Q247-R251 PolarHBondContact O-NH1 3.31Å; Q247-V640 PolarHBondContact NE2-O 3.17Å; Q247-I642 VanDerWaalsContact OE1-N 3.14Å |
| 248 | R | 84.3 | Confident | 84.2 | Confident | 142 Ų | 142 | 58 Ų | 58 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.8 | -49.6 | 173 | -168.3 | 179.4 | -168.9 | 160.3 | 8.1 | 110.9 | R244 Q245 R246 K250 R251 N252 | R244-R248 WeakPolarHBondContact O-CB 2.99Å; R244-R248 PolarHBondContact O-N 2.8Å; Q245-R248 WeakPolarHBondContact O-CB 3.45Å; Q245-R248 PolarHBondContact O-N 2.78Å; Q245-R248 VanDerWaalsContact O-N 3.09Å; R246-R248 VanDerWaalsContact C-N 3.27Å; R246-R248 PolarHBondContact O-N 3.45Å; R248-K250 PolarHBondContact O-N 3.34Å; R248-R251 PolarHBondContact O-N 3.22Å; R248-R251 VanDerWaalsContact O-N 3.11Å; R248-N252 PolarHBondContact O-N 3.23Å; R248-N252 PolarHBondContact O-OD1 2.62Å |
| 249 | A | 83.3 | Confident | 83.9 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.9 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q245 R246 R251 N252 A253 | Q245-A249 PolarHBondContact O-N 2.94Å; R246-A249 PolarHBondContact O-N 2.86Å; A249-R251 VanDerWaalsContact C-N 3.32Å; A249-R251 PolarHBondContact O-N 3.03Å; A249-N252 PolarHBondContact O-N 3.02Å; A249-N252 VanDerWaalsContact O-N 3.17Å; A249-A253 PolarHBondContact O-N 3.03Å |
| 250 | K | 85.8 | Confident | 83.5 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58 | -39 | 175.4 | -175.7 | -173.7 | 172.8 | -164.9 | 0 | 113 | R246 R248 V254 | R246-K250 WeakPolarHBondContact O-CB 3.16Å; R246-K250 PolarHBondContact O-N 2.81Å; R248-K250 PolarHBondContact O-N 3.34Å; K250-V254 VanDerWaalsContact O-CG2 3.28Å; K250-V254 WeakPolarHBondContact O-CG2 3.46Å; K250-V254 PolarHBondContact O-N 3.11Å |
| 251 | R | 84.3 | Confident | 83.5 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72.3 | -37.3 | 176.4 | -73.3 | -176.2 | -150.4 | 94.2 | 1.2 | 112.3 | Q247 R248 A249 L255 F265 | Q247-R251 VanDerWaalsContact C-NH1 3.27Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-N 3.47Å; Q247-R251 PolarHBondContact O-NH1 3.31Å; R248-R251 PolarHBondContact O-N 3.22Å; R248-R251 VanDerWaalsContact O-N 3.11Å; A249-R251 VanDerWaalsContact C-N 3.32Å; A249-R251 PolarHBondContact O-N 3.03Å; R251-L255 PolarHBondContact O-N 3.14Å; R251-F265 HydrophobicContact CB-CD2 3.77Å; R251-F265 HydrophobicContact CB-CE2 3.83Å; R251-F265 HydrophobicContact CB-CG 4.13Å; R251-F265 HydrophobicContact CB-CZ 4.22Å; R251-F265 HydrophobicContact CG-CD1 3.95Å; R251-F265 HydrophobicContact CG-CD2 4.11Å; R251-F265 HydrophobicContact CG-CE1 3.91Å; R251-F265 HydrophobicContact CG-CE2 4.08Å; R251-F265 HydrophobicContact CG-CG 4.05Å; R251-F265 HydrophobicContact CG-CZ 3.98Å; R251-F265 VanDerWaalsContact O-CE2 3.27Å; R251-F265 WeakPolarHBondContact O-CE2 3.32Å |
| 252 | N | 82.4 | Confident | 83.5 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -53 | 174.6 | -79.5 | 40.2 | 0 | 0 | 0 | 110.8 | R248 A249 V254 L255 D256 | R248-N252 PolarHBondContact O-N 3.23Å; R248-N252 PolarHBondContact O-OD1 2.62Å; A249-N252 PolarHBondContact O-N 3.02Å; A249-N252 VanDerWaalsContact O-N 3.17Å; N252-V254 PolarHBondContact O-N 3.45Å; N252-V254 VanDerWaalsContact O-N 3.1Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 WeakPolarHBondContact O-CA 3.39Å; N252-L255 WeakPolarHBondContact O-CB 3.11Å; N252-L255 PolarHBondContact O-N 2.83Å; N252-D256 VanDerWaalsContact C-OD2 3.23Å; N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 2.88Å |
| 253 | A | 85.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 76 Ų | 76 | 45% | 0.446 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.8 | -33.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | A249 L255 D256 E257 | A249-A253 PolarHBondContact O-N 3.03Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-D256 PolarHBondContact O-N 2.94Å; A253-E257 PolarHBondContact O-N 2.88Å; A253-E257 VanDerWaalsContact O-N 3.13Å |
| 254 | V | 85.7 | Confident | 83.1 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.7 | -23.6 | 174.7 | 168.1 | 0 | 0 | 0 | 0 | 113.2 | K250 N252 N260 I262 F265 | K250-V254 VanDerWaalsContact O-CG2 3.28Å; K250-V254 WeakPolarHBondContact O-CG2 3.46Å; K250-V254 PolarHBondContact O-N 3.11Å; N252-V254 PolarHBondContact O-N 3.45Å; N252-V254 VanDerWaalsContact O-N 3.1Å; V254-N260 PolarHBondContact O-ND2 3.35Å; V254-I262 HydrophobicContact CG1-CD1 3.64Å; V254-F265 HydrophobicContact CB-CE2 4.27Å; V254-F265 HydrophobicContact CB-CZ 4.38Å; V254-F265 HydrophobicContact CG1-CE2 4.03Å; V254-F265 HydrophobicContact CG1-CZ 3.93Å |
| 255 | L | 82.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -84.9 | -30.6 | 169.8 | -62.6 | 175 | 0 | 0 | 0 | 112.3 | R251 N252 A253 E257 I262 F265 | R251-L255 PolarHBondContact O-N 3.14Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 WeakPolarHBondContact O-CA 3.39Å; N252-L255 WeakPolarHBondContact O-CB 3.11Å; N252-L255 PolarHBondContact O-N 2.83Å; A253-L255 VanDerWaalsContact C-N 3.34Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-I262 HydrophobicContact CD2-CG2 4.03Å; L255-F265 HydrophobicContact CD1-CD2 4.04Å; L255-F265 HydrophobicContact CD2-CD2 3.99Å; L255-F265 HydrophobicContact CD2-CE2 4.1Å; L255-F265 HydrophobicContact CG-CD2 3.93Å; L255-F265 HydrophobicContact CG-CE2 4.04Å |
| 256 | D | 81.1 | Confident | 82.9 | Confident | 125 Ų | 125 | 73.6 Ų | 73.6 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75 | -19 | 178.8 | -56.9 | -43.8 | 0 | 0 | 0 | 112.2 | N252 A253 A258 | N252-D256 VanDerWaalsContact C-OD2 3.23Å; N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 2.88Å; A253-D256 PolarHBondContact O-N 2.94Å; D256-A258 PolarHBondContact O-N 3.42Å |
| 257 | E | 86.8 | Confident | 82.7 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -75.2 | 104 | 175.2 | 176.7 | 173.7 | -151 | 0 | 0 | 112.2 | A253 L255 N259 N260 | A253-E257 PolarHBondContact O-N 2.88Å; A253-E257 VanDerWaalsContact O-N 3.13Å; L255-E257 VanDerWaalsContact C-N 3.29Å; E257-N259 PolarHBondContact O-N 3.07Å; E257-N260 WeakPolarHBondContact CB-ND2 3.41Å; E257-N260 PolarHBondContact O-N 2.93Å; E257-N260 VanDerWaalsContact O-N 3.17Å; E257-N260 PolarHBondContact OE2-ND2 3.46Å |
| 258 | A | 71.6 | Confident | 82.3 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 85% | 0.851 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | D256 | D256-A258 PolarHBondContact O-N 3.42Š|
| 259 | N | 76.2 | Confident | 82.2 | Confident | 161 Ų | 161 | 64.1 Ų | 64.1 | 86% | 0.861 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.8 | -179.4 | -78.8 | -22.4 | 0 | 0 | 0 | 114 | E257 | E257-N259 PolarHBondContact O-N 3.07Š|
| 260 | N | 77.9 | Confident | 82.2 | Confident | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | trans | -84.7 | 140 | -174.5 | -79.2 | -23.9 | 0 | 0 | 0 | 114.6 | V254 E257 I262 | V254-N260 PolarHBondContact O-ND2 3.35Å; E257-N260 WeakPolarHBondContact CB-ND2 3.41Å; E257-N260 PolarHBondContact O-N 2.93Å; E257-N260 VanDerWaalsContact O-N 3.17Å; E257-N260 PolarHBondContact OE2-ND2 3.46Å; N260-I262 PolarHBondContact O-N 3.46Å | ||
| 261 | D | 83.6 | Confident | 82.1 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -71.3 | -5.1 | 172 | -86.9 | -42.5 | 0 | 0 | 0 | 113.9 | T272 | D261-T272 HydrophobicContact CB-CG2 4.48Å; D261-T272 VanDerWaalsContact O-CA 3.25Å; D261-T272 WeakPolarHBondContact O-CA 3.25Å; D261-T272 VanDerWaalsContact O-CB 3.27Å; D261-T272 WeakPolarHBondContact O-CB 3.46Å |
| 262 | I | 84.9 | Confident | 82.2 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.2 | -176.1 | -59.1 | 169.6 | 0 | 0 | 0 | 109.2 | V254 L255 N260 F265 P270 V271 T272 | V254-I262 HydrophobicContact CG1-CD1 3.64Å; L255-I262 HydrophobicContact CD2-CG2 4.03Å; N260-I262 PolarHBondContact O-N 3.46Å; I262-F265 HydrophobicContact CD1-CZ 4.5Å; I262-F265 HydrophobicContact CG2-CD2 4.43Å; I262-F265 HydrophobicContact CG2-CE2 3.96Å; I262-F265 HydrophobicContact CG2-CZ 4.07Å; I262-P270 HydrophobicContact CD1-CB 3.94Å; I262-P270 HydrophobicContact CG1-CB 4.05Å; I262-P270 HydrophobicContact CG2-CB 3.79Å; I262-V271 CarbonylContact C-O 3.45Å; I262-V271 WeakPolarHBondContact CA-O 3.35Å; I262-T272 HydrophobicContact CG1-CG2 4.03Å |
| 263 | L | 81.3 | Confident | 82.1 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 29% | 0.288 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -33 | -176 | -54.7 | 175.7 | 0 | 0 | 0 | 112.8 | V271 R273 M680 | L263-V271 PolarHBondContact N-O 3.29Å; L263-R273 HydrophobicContact CD1-CG 4Å; L263-R273 HydrophobicContact CD2-CG 4.37Å; L263-R273 HydrophobicContact CG-CG 4.46Å; L263-M680 HydrophobicContact CD1-CE 4.16Å; L263-M680 HydrophobicContact CD1-SD 3.91Å; L263-M680 HydrophobicContact CD2-CE 4.3Å |
| 264 | A | 82.5 | Confident | 81.9 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 165.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V271 V679 | A264-V271 PolarHBondContact O-N 2.84Å; A264-V679 HydrophobicContact CB-CG1 4.03Å |
| 265 | F | 83.6 | Confident | 81.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 23% | 0.228 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 86.2 | 170.7 | -78 | -84.1 | 0 | 0 | 0 | 112.3 | R251 V254 L255 I262 M269 P270 | R251-F265 HydrophobicContact CB-CD2 3.77Å; R251-F265 HydrophobicContact CB-CE2 3.83Å; R251-F265 HydrophobicContact CB-CG 4.13Å; R251-F265 HydrophobicContact CB-CZ 4.22Å; R251-F265 HydrophobicContact CG-CD1 3.95Å; R251-F265 HydrophobicContact CG-CD2 4.11Å; R251-F265 HydrophobicContact CG-CE1 3.91Å; R251-F265 HydrophobicContact CG-CE2 4.08Å; R251-F265 HydrophobicContact CG-CG 4.05Å; R251-F265 HydrophobicContact CG-CZ 3.98Å; R251-F265 VanDerWaalsContact O-CE2 3.27Å; R251-F265 WeakPolarHBondContact O-CE2 3.32Å; V254-F265 HydrophobicContact CB-CE2 4.27Å; V254-F265 HydrophobicContact CB-CZ 4.38Å; V254-F265 HydrophobicContact CG1-CE2 4.03Å; V254-F265 HydrophobicContact CG1-CZ 3.93Å; L255-F265 HydrophobicContact CD1-CD2 4.04Å; L255-F265 HydrophobicContact CD2-CD2 3.99Å; L255-F265 HydrophobicContact CD2-CE2 4.1Å; L255-F265 HydrophobicContact CG-CD2 3.93Å; L255-F265 HydrophobicContact CG-CE2 4.04Å; I262-F265 HydrophobicContact CD1-CZ 4.5Å; I262-F265 HydrophobicContact CG2-CD2 4.43Å; I262-F265 HydrophobicContact CG2-CE2 3.96Å; I262-F265 HydrophobicContact CG2-CZ 4.07Å; F265-M269 CarbonylContact C-O 3.42Å; F265-M269 VanDerWaalsContact CA-O 3.24Å; F265-M269 WeakPolarHBondContact CA-O 3.45Å; F265-P270 HydrophobicContact CD1-CB 4.17Å; F265-P270 HydrophobicContact CE1-CB 3.69Å; F265-P270 HydrophobicContact CE1-CG 4.31Å; F265-P270 HydrophobicContact CZ-CB 4.24Å |
| 266 | L | 83.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.1 | 177 | -66.3 | -174.4 | 0 | 0 | 0 | 110.8 | G268 M269 V271 V609 N611 F628 | L266-G268 PolarHBondContact O-N 3.14Å; L266-M269 PolarHBondContact N-O 2.84Å; L266-M269 WeakPolarHBondContact O-CB 3.5Å; L266-M269 PolarHBondContact O-N 3.31Å; L266-V271 HydrophobicContact CB-CG2 3.91Å; L266-V271 HydrophobicContact CD1-CG2 3.87Å; L266-V271 HydrophobicContact CG-CG2 3.74Å; L266-V609 HydrophobicContact CB-CB 4.09Å; L266-V609 HydrophobicContact CB-CG2 4.06Å; L266-V609 HydrophobicContact CD1-CG2 4.15Å; L266-N611 HydrophobicContact CD2-CB 3.7Å; L266-F628 HydrophobicContact CD1-CD2 4.49Å |
| 267 | S | 82.9 | Confident | 82.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 32.7 | -170.7 | -58.3 | 0 | 0 | 0 | 0 | 114.3 | M269 K523 H610 | S267-M269 VanDerWaalsContact C-N 3.33Å; S267-M269 PolarHBondContact O-N 3.32Å; S267-K523 WeakPolarHBondContact O-CG 3.28Å; S267-H610 PolarHBondContact OG-CD2 2.8Å; S267-H610 PolarHBondContact OG-CE1 2.83Å; S267-H610 VanDerWaalsContact OG-CE1 3.3Å; S267-H610 PolarHBondContact OG-N 3.22Å; S267-H610 PolarHBondContact OG-ND1 2.77Å; S267-H610 PolarHBondContact OG-NE2 3.41Å; S267-H610 VanDerWaalsContact OG-NE2 3.12Å; S267-H610 PolarHBondContact OG-O 2.78Å |
| 268 | G | 77.8 | Confident | 82.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | L266 | L266-G268 PolarHBondContact O-N 3.14Š|
| 269 | M | 82.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.7 | 172.3 | -65.6 | -55.9 | -65.3 | 0 | 0 | 111.5 | F265 L266 S267 V271 R528 H607 A636 | F265-M269 CarbonylContact C-O 3.42Å; F265-M269 VanDerWaalsContact CA-O 3.24Å; F265-M269 WeakPolarHBondContact CA-O 3.45Å; L266-M269 PolarHBondContact N-O 2.84Å; L266-M269 WeakPolarHBondContact O-CB 3.5Å; L266-M269 PolarHBondContact O-N 3.31Å; S267-M269 VanDerWaalsContact C-N 3.33Å; S267-M269 PolarHBondContact O-N 3.32Å; M269-V271 PolarHBondContact O-N 3.11Å; M269-R528 PolarHBondContact SD-NH2 2.85Å; M269-H607 WeakPolarHBondContact CG-CE1 3.23Å; M269-A636 HydrophobicContact CE-CB 3.62Å |
| 270 | P | 85.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.1 | 172.9 | 28.2 | -32.7 | 0 | 0 | 0 | 110.6 | I262 F265 | I262-P270 HydrophobicContact CD1-CB 3.94Å; I262-P270 HydrophobicContact CG1-CB 4.05Å; I262-P270 HydrophobicContact CG2-CB 3.79Å; F265-P270 HydrophobicContact CD1-CB 4.17Å; F265-P270 HydrophobicContact CE1-CB 3.69Å; F265-P270 HydrophobicContact CE1-CG 4.31Å; F265-P270 HydrophobicContact CZ-CB 4.24Å |
| 271 | V | 83.6 | Confident | 84 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.1 | 170.6 | 177 | 0 | 0 | 0 | 0 | 108.3 | I262 L263 A264 L266 M269 T275 Y277 | I262-V271 CarbonylContact C-O 3.45Å; I262-V271 WeakPolarHBondContact CA-O 3.35Å; L263-V271 PolarHBondContact N-O 3.29Å; A264-V271 PolarHBondContact O-N 2.84Å; L266-V271 HydrophobicContact CB-CG2 3.91Å; L266-V271 HydrophobicContact CD1-CG2 3.87Å; L266-V271 HydrophobicContact CG-CG2 3.74Å; M269-V271 PolarHBondContact O-N 3.11Å; V271-T275 HydrophobicContact CG1-CG2 4.44Å; V271-Y277 WeakPolarHBondContact CG1-OH 3.1Å |
| 272 | T | 85.9 | Confident | 84.3 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 171.8 | 175.2 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | D261 I262 N274 T275 | D261-T272 HydrophobicContact CB-CG2 4.48Å; D261-T272 VanDerWaalsContact O-CA 3.25Å; D261-T272 WeakPolarHBondContact O-CA 3.25Å; D261-T272 VanDerWaalsContact O-CB 3.27Å; D261-T272 WeakPolarHBondContact O-CB 3.46Å; I262-T272 HydrophobicContact CG1-CG2 4.03Å; T272-N274 PolarHBondContact O-N 3.09Å; T272-N274 PolarHBondContact OG1-N 2.62Å; T272-T275 PolarHBondContact N-OG1 2.93Å; T272-T275 WeakPolarHBondContact O-CB 3.35Å; T272-T275 PolarHBondContact O-N 3.21Å; T272-T275 PolarHBondContact O-OG1 2.87Å |
| 273 | R | 80.7 | Confident | 84.5 | Confident | 184 Ų | 184 | 59.2 Ų | 59.2 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19 | 171 | -64.1 | 176.5 | -178.1 | 163.6 | 2.8 | 113.5 | L263 | L263-R273 HydrophobicContact CD1-CG 4Å; L263-R273 HydrophobicContact CD2-CG 4.37Å; L263-R273 HydrophobicContact CG-CG 4.46Å |
| 274 | N | 81.6 | Confident | 85 | Confident | 130 Ų | 130 | 63.3 Ų | 63.3 | 70% | 0.695 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 2 | -179.6 | -63.6 | -37.1 | 0 | 0 | 0 | 113.7 | T272 K276 | T272-N274 PolarHBondContact O-N 3.09Å; T272-N274 PolarHBondContact OG1-N 2.62Å; N274-K276 PolarHBondContact O-N 3.46Å |
| 275 | T | 84.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | trans | -64.2 | 119.4 | 179.2 | -68 | 0 | 0 | 0 | 0 | 111.2 | V271 T272 Y277 I630 | V271-T275 HydrophobicContact CG1-CG2 4.44Å; T272-T275 PolarHBondContact N-OG1 2.93Å; T272-T275 WeakPolarHBondContact O-CB 3.35Å; T272-T275 PolarHBondContact O-N 3.21Å; T272-T275 PolarHBondContact O-OG1 2.87Å; T275-Y277 HydrophobicContact CG2-CD2 4.49Å; T275-Y277 HydrophobicContact CG2-CE2 4.15Å; T275-Y277 WeakPolarHBondContact O-CD2 3.5Å; T275-Y277 PolarHBondContact O-N 3.18Å; T275-Y277 VanDerWaalsContact O-N 3.15Å; T275-I630 HydrophobicContact CG2-CB 4.4Å; T275-I630 HydrophobicContact CG2-CD1 4.33Å; T275-I630 HydrophobicContact CG2-CG2 4.11Å | ||
| 276 | K | 87.4 | Confident | 85.8 | Confident | 156 Ų | 156 | 62.8 Ų | 62.8 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | trans | -82.8 | 91.9 | -178.6 | -65.9 | -179.7 | -177.4 | 175.4 | 0 | 111.1 | N274 W631 | N274-K276 PolarHBondContact O-N 3.46Å; K276-W631 HydrophobicContact CB-CB 4.34Å; K276-W631 PolarHBondContact O-N 3.1Å | ||
| 277 | Y | 87.3 | Confident | 86.3 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -61.3 | 148.5 | 163.8 | -65.5 | -87.1 | 0 | 0 | 0 | 111 | V271 T275 I630 A672 | V271-Y277 WeakPolarHBondContact CG1-OH 3.1Å; T275-Y277 HydrophobicContact CG2-CD2 4.49Å; T275-Y277 HydrophobicContact CG2-CE2 4.15Å; T275-Y277 WeakPolarHBondContact O-CD2 3.5Å; T275-Y277 PolarHBondContact O-N 3.18Å; T275-Y277 VanDerWaalsContact O-N 3.15Å; Y277-I630 HydrophobicContact CD1-CG2 3.45Å; Y277-I630 VanDerWaalsContact CD1-CG2 3.45Å; Y277-I630 HydrophobicContact CE1-CG2 3.64Å; Y277-I630 HydrophobicContact CG-CG2 4.12Å; Y277-A672 HydrophobicContact CD1-CB 3.4Å; Y277-A672 HydrophobicContact CE1-CB 3.64Å; Y277-A672 HydrophobicContact CG-CB 4.02Å |
| 278 | L | 88.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -73.7 | 122.1 | 173 | -173.6 | 72.8 | 0 | 0 | 0 | 109.2 | L280 E285 Y289 A629 W631 | L278-L280 HydrophobicContact CD2-CD2 3.82Å; L278-L280 HydrophobicContact CD2-CG 4.42Å; L278-L280 HydrophobicContact CG-CD2 4.27Å; L278-L280 PolarHBondContact O-N 3.28Å; L278-E285 HydrophobicContact CD1-CB 4.16Å; L278-E285 WeakPolarHBondContact CD1-OE2 3.34Å; L278-Y289 HydrophobicContact CD2-CD2 3.34Å; L278-Y289 HydrophobicContact CD2-CE2 3.97Å; L278-Y289 HydrophobicContact CD2-CG 3.91Å; L278-A629 HydrophobicContact CB-CB 3.91Å; L278-A629 HydrophobicContact CD2-CB 3.82Å; L278-A629 PolarHBondContact N-O 3.34Å; L278-W631 HydrophobicContact CD1-CH2 4.38Å; L278-W631 HydrophobicContact CD1-CZ2 3.47Å; L278-W631 VanDerWaalsContact CD1-CZ2 3.47Å | ||
| 279 | D | 85.2 | Confident | 87.6 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | trans | -84.6 | 86.6 | -177.6 | -177.5 | 25.6 | 0 | 0 | 0 | 111.1 | K281 N282 E285 | D279-K281 PolarHBondContact O-N 2.92Å; D279-K281 VanDerWaalsContact OD1-CB 3.24Å; D279-K281 WeakPolarHBondContact OD1-CB 3.22Å; D279-K281 WeakPolarHBondContact OD1-CG 3.46Å; D279-K281 PolarHBondContact OD1-N 3.04Å; D279-N282 HydrophobicContact CB-CB 4.43Å; D279-N282 VanDerWaalsContact O-CB 3.3Å; D279-N282 WeakPolarHBondContact O-CB 3.17Å; D279-N282 PolarHBondContact O-N 3.12Å; D279-E285 PolarHBondContact N-OE2 3.22Å | ||
| 280 | L | 86.7 | Confident | 88.2 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6.4 | 175.9 | -69.1 | -179.5 | 0 | 0 | 0 | 114.3 | L278 M286 Y289 V662 Y666 | L278-L280 HydrophobicContact CD2-CD2 3.82Å; L278-L280 HydrophobicContact CD2-CG 4.42Å; L278-L280 HydrophobicContact CG-CD2 4.27Å; L278-L280 PolarHBondContact O-N 3.28Å; L280-M286 HydrophobicContact CB-CE 3.78Å; L280-M286 HydrophobicContact CD2-CE 3.96Å; L280-M286 HydrophobicContact CG-CE 4.3Å; L280-M286 VanDerWaalsContact O-CE 3.3Å; L280-M286 WeakPolarHBondContact O-CE 3.46Å; L280-Y289 HydrophobicContact CD2-CD1 4.19Å; L280-Y289 HydrophobicContact CD2-CG 4.02Å; L280-V662 HydrophobicContact CD1-CG1 3.75Å; L280-Y666 HydrophobicContact CB-CD2 3.48Å; L280-Y666 VanDerWaalsContact CB-CD2 3.48Å; L280-Y666 HydrophobicContact CB-CE2 3.58Å; L280-Y666 HydrophobicContact CB-CG 4.08Å; L280-Y666 HydrophobicContact CD1-CD2 4.18Å; L280-Y666 HydrophobicContact CD1-CG 4.23Å; L280-Y666 HydrophobicContact CG-CD2 4.49Å; L280-Y666 PolarHBondContact O-OH 3.32Å |
| 281 | K | 85.3 | Confident | 88.7 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -29 | 167.1 | -56.6 | 175.6 | 179.2 | 177.2 | 0 | 112 | D279 S283 Y666 | D279-K281 PolarHBondContact O-N 2.92Å; D279-K281 VanDerWaalsContact OD1-CB 3.24Å; D279-K281 WeakPolarHBondContact OD1-CB 3.22Å; D279-K281 WeakPolarHBondContact OD1-CG 3.46Å; D279-K281 PolarHBondContact OD1-N 3.04Å; K281-S283 PolarHBondContact O-N 2.82Å; K281-Y666 HydrophobicContact CG-CE2 4.19Å |
| 282 | N | 89.9 | Confident | 89.4 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 35% | 0.348 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.5 | 119.2 | 174.4 | -178 | -14.9 | 0 | 0 | 0 | 109.7 | D279 Q284 E285 M286 | D279-N282 HydrophobicContact CB-CB 4.43Å; D279-N282 VanDerWaalsContact O-CB 3.3Å; D279-N282 WeakPolarHBondContact O-CB 3.17Å; D279-N282 PolarHBondContact O-N 3.12Å; N282-Q284 PolarHBondContact O-N 3.36Å; N282-Q284 VanDerWaalsContact O-N 3.15Å; N282-Q284 PolarHBondContact OD1-N 3.28Å; N282-E285 HydrophobicContact CB-CB 4.32Å; N282-E285 HydrophobicContact CB-CG 4.2Å; N282-E285 PolarHBondContact O-N 2.88Å; N282-E285 VanDerWaalsContact O-N 3.12Å; N282-M286 WeakPolarHBondContact O-CB 3.33Å; N282-M286 PolarHBondContact O-N 3.26Å |
| 283 | S | 90.1 | Very high | 89.9 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.1 | -29.6 | -178.2 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | K281 L287 | K281-S283 PolarHBondContact O-N 2.82Å; S283-L287 VanDerWaalsContact O-CB 3.32Å; S283-L287 WeakPolarHBondContact O-CB 3.43Å; S283-L287 PolarHBondContact O-N 3.19Å |
| 284 | Q | 91.9 | Very high | 90.6 | Very high | 141 Ų | 141 | 66.7 Ų | 66.7 | 66% | 0.659 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.3 | -39 | 177.4 | -60.1 | -172.4 | 5.7 | 0 | 0 | 112.6 | N282 L287 R288 | N282-Q284 PolarHBondContact O-N 3.36Å; N282-Q284 VanDerWaalsContact O-N 3.15Å; N282-Q284 PolarHBondContact OD1-N 3.28Å; Q284-L287 PolarHBondContact O-N 2.75Å; Q284-R288 PolarHBondContact O-N 2.97Å |
| 285 | E | 89.8 | Confident | 91.4 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74 | -39.6 | 176.9 | -59.9 | -141.6 | 127.2 | 0 | 0 | 111 | L278 D279 N282 L287 R288 Y289 | L278-E285 HydrophobicContact CD1-CB 4.16Å; L278-E285 WeakPolarHBondContact CD1-OE2 3.34Å; D279-E285 PolarHBondContact N-OE2 3.22Å; N282-E285 HydrophobicContact CB-CB 4.32Å; N282-E285 HydrophobicContact CB-CG 4.2Å; N282-E285 PolarHBondContact O-N 2.88Å; N282-E285 VanDerWaalsContact O-N 3.12Å; E285-L287 VanDerWaalsContact C-N 3.33Å; E285-L287 PolarHBondContact O-N 3.36Å; E285-R288 PolarHBondContact O-N 3.12Å; E285-R288 IonicContact OE1-NH1 2.75Å; E285-Y289 WeakPolarHBondContact O-CB 3.21Å; E285-Y289 PolarHBondContact O-N 3.04Å |
| 286 | M | 92.5 | Very high | 92 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -42 | 169.5 | 174.2 | 55.3 | 65.9 | 0 | 0 | 112.2 | L280 N282 Y289 K290 L663 Y666 | L280-M286 HydrophobicContact CB-CE 3.78Å; L280-M286 HydrophobicContact CD2-CE 3.96Å; L280-M286 HydrophobicContact CG-CE 4.3Å; L280-M286 VanDerWaalsContact O-CE 3.3Å; L280-M286 WeakPolarHBondContact O-CE 3.46Å; N282-M286 WeakPolarHBondContact O-CB 3.33Å; N282-M286 PolarHBondContact O-N 3.26Å; M286-Y289 PolarHBondContact O-N 3.07Å; M286-K290 HydrophobicContact CG-CD 4.39Å; M286-K290 WeakPolarHBondContact O-CB 3.31Å; M286-K290 WeakPolarHBondContact O-CG 3.47Å; M286-K290 PolarHBondContact O-N 2.84Å; M286-K290 HydrophobicContact SD-CD 3.93Å; M286-K290 WeakPolarHBondContact SD-CE 3.29Å; M286-K290 HydrophobicContact SD-CG 4.17Å; M286-L663 HydrophobicContact CE-CD2 4.29Å; M286-L663 HydrophobicContact SD-CD2 4.06Å; M286-Y666 HydrophobicContact CE-CD1 3.82Å; M286-Y666 HydrophobicContact CE-CE1 3.72Å; M286-Y666 HydrophobicContact CE-CG 4.39Å |
| 287 | L | 93.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 52.7 Ų | 52.7 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.5 | -47.5 | 174.7 | -169.5 | 81.8 | 0 | 0 | 0 | 111.3 | S283 Q284 E285 Y289 K290 E291 | S283-L287 VanDerWaalsContact O-CB 3.32Å; S283-L287 WeakPolarHBondContact O-CB 3.43Å; S283-L287 PolarHBondContact O-N 3.19Å; Q284-L287 PolarHBondContact O-N 2.75Å; E285-L287 VanDerWaalsContact C-N 3.33Å; E285-L287 PolarHBondContact O-N 3.36Å; L287-Y289 VanDerWaalsContact C-N 3.35Å; L287-Y289 PolarHBondContact O-N 2.96Å; L287-K290 PolarHBondContact O-N 3.11Å; L287-E291 PolarHBondContact O-N 3.07Å |
| 288 | R | 92.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 177.1 | -176.2 | -177.3 | -67.5 | 120.6 | 1.3 | 111.6 | Q284 E285 K290 E291 V292 | Q284-R288 PolarHBondContact O-N 2.97Å; E285-R288 PolarHBondContact O-N 3.12Å; E285-R288 IonicContact OE1-NH1 2.75Å; R288-K290 VanDerWaalsContact C-N 3.31Å; R288-K290 PolarHBondContact O-N 2.74Å; R288-E291 WeakPolarHBondContact O-CB 3.34Å; R288-E291 PolarHBondContact O-N 3.01Å; R288-V292 WeakPolarHBondContact O-CG2 3.39Å; R288-V292 PolarHBondContact O-N 3.07Å |
| 289 | Y | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 178 | -160.5 | -103.5 | 0 | 0 | 0 | 112 | L278 L280 E285 M286 L287 V292 C293 I606 A629 L659 V662 L663 | L278-Y289 HydrophobicContact CD2-CD2 3.34Å; L278-Y289 HydrophobicContact CD2-CE2 3.97Å; L278-Y289 HydrophobicContact CD2-CG 3.91Å; L280-Y289 HydrophobicContact CD2-CD1 4.19Å; L280-Y289 HydrophobicContact CD2-CG 4.02Å; E285-Y289 WeakPolarHBondContact O-CB 3.21Å; E285-Y289 PolarHBondContact O-N 3.04Å; M286-Y289 PolarHBondContact O-N 3.07Å; L287-Y289 VanDerWaalsContact C-N 3.35Å; L287-Y289 PolarHBondContact O-N 2.96Å; Y289-V292 WeakPolarHBondContact O-CB 3.38Å; Y289-V292 PolarHBondContact O-N 3.1Å; Y289-C293 PolarHBondContact O-N 3.26Å; Y289-C293 PolarHBondContact O-SG 2.93Å; Y289-I606 HydrophobicContact CD2-CG2 4.46Å; Y289-I606 HydrophobicContact CE2-CG2 3.99Å; Y289-A629 HydrophobicContact CE2-CB 3.89Å; Y289-L659 HydrophobicContact CE2-CD2 4.07Å; Y289-L659 WeakPolarHBondContact OH-CD2 3.27Å; Y289-V662 HydrophobicContact CE1-CB 4.04Å; Y289-V662 HydrophobicContact CE1-CG1 3.92Å; Y289-V662 VanDerWaalsContact OH-CB 3.28Å; Y289-V662 WeakPolarHBondContact OH-CB 3.43Å; Y289-V662 WeakPolarHBondContact OH-CG2 3.06Å; Y289-L663 HydrophobicContact CD1-CD2 3.85Å; Y289-L663 HydrophobicContact CD1-CG 4.11Å; Y289-L663 HydrophobicContact CE1-CD2 4.23Å; Y289-L663 HydrophobicContact CE1-CG 4.04Å |
| 290 | K | 95.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.9 | -33.9 | 170.6 | -75.8 | 174.4 | 172.1 | 172.5 | 0 | 113.2 | M286 L287 R288 V292 Y294 | M286-K290 HydrophobicContact CG-CD 4.39Å; M286-K290 WeakPolarHBondContact O-CB 3.31Å; M286-K290 WeakPolarHBondContact O-CG 3.47Å; M286-K290 PolarHBondContact O-N 2.84Å; M286-K290 HydrophobicContact SD-CD 3.93Å; M286-K290 WeakPolarHBondContact SD-CE 3.29Å; M286-K290 HydrophobicContact SD-CG 4.17Å; L287-K290 PolarHBondContact O-N 3.11Å; R288-K290 VanDerWaalsContact C-N 3.31Å; R288-K290 PolarHBondContact O-N 2.74Å; K290-V292 VanDerWaalsContact C-N 3.35Å; K290-Y294 WeakPolarHBondContact O-CB 3.46Å; K290-Y294 PolarHBondContact O-N 2.81Å |
| 291 | E | 95.4 | Very high | 94 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 167.3 | -68.7 | -168.7 | 133.6 | 0 | 0 | 110.5 | L287 R288 Y294 Y295 K493 F495 | L287-E291 PolarHBondContact O-N 3.07Å; R288-E291 WeakPolarHBondContact O-CB 3.34Å; R288-E291 PolarHBondContact O-N 3.01Å; E291-Y294 PolarHBondContact O-N 3.05Å; E291-Y295 HydrophobicContact CB-CD2 4.26Å; E291-Y295 HydrophobicContact CB-CE2 4.11Å; E291-Y295 HydrophobicContact CG-CE2 4.48Å; E291-Y295 WeakPolarHBondContact O-CD2 3.24Å; E291-Y295 PolarHBondContact O-N 3.21Å; E291-K493 IonicContact OE1-NZ 3.4Å; E291-K493 PolarHBondContact OE1-NZ 2.83Å; E291-K493 IonicContact OE2-NZ 3.24Å; E291-K493 PolarHBondContact OE2-NZ 3.45Å; E291-F495 HydrophobicContact CB-CE1 4.37Å; E291-F495 HydrophobicContact CB-CZ 4Å |
| 292 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.6 | 173 | 0 | 0 | 0 | 0 | 112.5 | R288 Y289 K290 Y294 M296 F495 Y497 T517 V519 I606 L659 | R288-V292 WeakPolarHBondContact O-CG2 3.39Å; R288-V292 PolarHBondContact O-N 3.07Å; Y289-V292 WeakPolarHBondContact O-CB 3.38Å; Y289-V292 PolarHBondContact O-N 3.1Å; K290-V292 VanDerWaalsContact C-N 3.35Å; V292-Y294 VanDerWaalsContact C-N 3.33Å; V292-Y294 PolarHBondContact O-N 3.21Å; V292-M296 PolarHBondContact O-N 3.4Å; V292-F495 HydrophobicContact CG2-CD1 3.92Å; V292-F495 HydrophobicContact CG2-CE1 3.75Å; V292-Y497 HydrophobicContact CG1-CE1 3.92Å; V292-Y497 PolarHBondContact O-OH 3.34Å; V292-T517 HydrophobicContact CG2-CG2 3.97Å; V292-V519 HydrophobicContact CG1-CG2 3.43Å; V292-V519 VanDerWaalsContact CG1-CG2 3.43Å; V292-I606 HydrophobicContact CG2-CD1 4.14Å; V292-L659 HydrophobicContact CG1-CD1 4.43Å; V292-L659 HydrophobicContact CG1-CD2 4.05Å |
| 293 | C | 96.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 174.3 | -60 | 0 | 0 | 0 | 0 | 111.6 | Y289 | Y289-C293 PolarHBondContact O-N 3.26Å; Y289-C293 PolarHBondContact O-SG 2.93Å |
| 294 | Y | 96.7 | Very high | 94.4 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 15% | 0.153 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.3 | -47.9 | -177.1 | -176.6 | -100.9 | 0 | 0 | 0 | 113 | K290 E291 V292 M296 L297 F298 M363 D387 K390 | K290-Y294 WeakPolarHBondContact O-CB 3.46Å; K290-Y294 PolarHBondContact O-N 2.81Å; E291-Y294 PolarHBondContact O-N 3.05Å; V292-Y294 VanDerWaalsContact C-N 3.33Å; V292-Y294 PolarHBondContact O-N 3.21Å; Y294-M296 PolarHBondContact O-N 2.68Å; Y294-L297 WeakPolarHBondContact O-CB 3.27Å; Y294-L297 PolarHBondContact O-N 2.97Å; Y294-F298 HydrophobicContact CD1-CE2 4.3Å; Y294-F298 AromaticContact CE1-CE2 3.84Å; Y294-F298 HydrophobicContact CE1-CE2 3.84Å; Y294-M363 HydrophobicContact CE1-CE 4.25Å; Y294-M363 HydrophobicContact CE2-CE 3.71Å; Y294-M363 HydrophobicContact CE2-SD 4.08Å; Y294-M363 WeakPolarHBondContact OH-CE 3.42Å; Y294-D387 WeakPolarHBondContact CE1-OD2 3.25Å; Y294-D387 PolarHBondContact OH-OD2 3.07Å; Y294-K390 HydrophobicContact CD1-CG 4.37Å; Y294-K390 HydrophobicContact CE1-CD 4.23Å; Y294-K390 VanDerWaalsContact CE1-CE 3.5Å; Y294-K390 HydrophobicContact CE1-CG 3.61Å |
| 295 | Y | 97.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.5 | -16.5 | -178.8 | -66.6 | -66.2 | 0 | 0 | 0 | 113.5 | E291 L297 F298 A299 V394 I467 F495 | E291-Y295 HydrophobicContact CB-CD2 4.26Å; E291-Y295 HydrophobicContact CB-CE2 4.11Å; E291-Y295 HydrophobicContact CG-CE2 4.48Å; E291-Y295 WeakPolarHBondContact O-CD2 3.24Å; E291-Y295 PolarHBondContact O-N 3.21Å; Y295-L297 PolarHBondContact O-N 3.29Å; Y295-F298 AromaticContact CD1-CD2 3.98Å; Y295-F298 HydrophobicContact CD1-CD2 3.98Å; Y295-F298 HydrophobicContact CD1-CE2 4.06Å; Y295-F298 HydrophobicContact CE1-CE2 4.38Å; Y295-F298 WeakPolarHBondContact O-CB 3.09Å; Y295-F298 PolarHBondContact O-N 2.77Å; Y295-F298 VanDerWaalsContact O-N 3.14Å; Y295-A299 PolarHBondContact O-N 2.88Å; Y295-V394 HydrophobicContact CE1-CG2 4.21Å; Y295-I467 HydrophobicContact CD1-CG2 4.19Å; Y295-I467 HydrophobicContact CE1-CG1 4.23Å; Y295-I467 HydrophobicContact CE1-CG2 4.26Å; Y295-I467 HydrophobicContact CG-CG2 4.5Å; Y295-F495 AromaticContact CD2-CD2 3.52Å; Y295-F495 HydrophobicContact CD2-CD2 3.52Å; Y295-F495 HydrophobicContact CD2-CE1 4.41Å; Y295-F495 AromaticContact CD2-CE2 3.2Å; Y295-F495 HydrophobicContact CD2-CE2 3.2Å; Y295-F495 HydrophobicContact CD2-CG 4.27Å; Y295-F495 AromaticContact CD2-CZ 3.7Å; Y295-F495 HydrophobicContact CD2-CZ 3.7Å; Y295-F495 HydrophobicContact CE2-CD2 4.25Å; Y295-F495 AromaticContact CE2-CE2 3.53Å; Y295-F495 HydrophobicContact CE2-CE2 3.53Å; Y295-F495 HydrophobicContact CE2-CZ 4.01Å; Y295-F495 AromaticContact CG-CD2 3.85Å; Y295-F495 HydrophobicContact CG-CD2 3.85Å; Y295-F495 AromaticContact CG-CE2 3.98Å; Y295-F495 HydrophobicContact CG-CE2 3.98Å |
| 296 | M | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -24.7 | 170.8 | -173.7 | 55.7 | -171.9 | 0 | 0 | 112.7 | V292 Y294 F298 A299 L300 Y497 P652 V655 M656 L659 | V292-M296 PolarHBondContact O-N 3.4Å; Y294-M296 PolarHBondContact O-N 2.68Å; M296-F298 VanDerWaalsContact C-N 3.34Å; M296-A299 PolarHBondContact O-N 2.78Å; M296-A299 HydrophobicContact SD-CB 3.9Å; M296-L300 VanDerWaalsContact O-CB 3.3Å; M296-L300 WeakPolarHBondContact O-CB 3.47Å; M296-L300 PolarHBondContact O-N 3.18Å; M296-Y497 HydrophobicContact CB-CD1 4.24Å; M296-Y497 HydrophobicContact CB-CE1 3.74Å; M296-Y497 HydrophobicContact CB-CE2 4.17Å; M296-Y497 HydrophobicContact CE-CG 4.47Å; M296-Y497 HydrophobicContact CG-CD1 4.2Å; M296-Y497 HydrophobicContact CG-CE1 4.21Å; M296-Y497 HydrophobicContact CG-CG 4.49Å; M296-Y497 PolarHBondContact N-OH 3.5Å; M296-Y497 HydrophobicContact SD-CD1 3.47Å; M296-Y497 WeakPolarHBondContact SD-CD1 3.3Å; M296-Y497 HydrophobicContact SD-CD2 3.47Å; M296-Y497 WeakPolarHBondContact SD-CD2 3.1Å; M296-Y497 HydrophobicContact SD-CE1 3.96Å; M296-Y497 HydrophobicContact SD-CE2 3.95Å; M296-Y497 HydrophobicContact SD-CG 3.24Å; M296-P652 HydrophobicContact CE-CB 3.7Å; M296-P652 WeakPolarHBondContact CE-O 3.15Å; M296-V655 HydrophobicContact CE-CB 3.99Å; M296-V655 HydrophobicContact CE-CG1 4Å; M296-V655 HydrophobicContact SD-CG1 4.46Å; M296-M656 HydrophobicContact CB-CE 3.61Å; M296-M656 HydrophobicContact CB-SD 4.38Å; M296-M656 HydrophobicContact CG-CB 4.15Å; M296-M656 HydrophobicContact CG-CE 3.71Å; M296-M656 HydrophobicContact CG-SD 4.28Å; M296-L659 HydrophobicContact CB-CD1 4.13Å; M296-L659 HydrophobicContact CG-CD1 4.17Å |
| 297 | L | 95.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 171.9 | -67.2 | 169.5 | 0 | 0 | 0 | 111.7 | Y294 Y295 L300 A301 H357 E361 M363 M656 | Y294-L297 WeakPolarHBondContact O-CB 3.27Å; Y294-L297 PolarHBondContact O-N 2.97Å; Y295-L297 PolarHBondContact O-N 3.29Å; L297-L300 PolarHBondContact O-N 3.25Å; L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.17Å; L297-H357 PolarHBondContact O-NE2 3Å; L297-E361 HydrophobicContact CD1-CB 4.38Å; L297-E361 HydrophobicContact CD1-CG 4.28Å; L297-E361 HydrophobicContact CD2-CG 3.92Å; L297-M363 HydrophobicContact CB-SD 4.46Å; L297-M363 HydrophobicContact CD1-SD 3.54Å; L297-M363 VanDerWaalsContact CD1-SD 3.54Å; L297-M656 HydrophobicContact CB-CE 4.42Å; L297-M656 HydrophobicContact CD2-CE 3.49Å; L297-M656 VanDerWaalsContact CD2-CE 3.49Å; L297-M656 HydrophobicContact CG-CE 3.62Å |
| 298 | F | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 177.2 | -70.2 | -102.7 | 0 | 0 | 0 | 111.2 | Y294 Y295 M296 L300 A301 A302 F358 M363 V366 Y383 A385 D387 V394 S396 V469 | Y294-F298 HydrophobicContact CD1-CE2 4.3Å; Y294-F298 AromaticContact CE1-CE2 3.84Å; Y294-F298 HydrophobicContact CE1-CE2 3.84Å; Y295-F298 AromaticContact CD1-CD2 3.98Å; Y295-F298 HydrophobicContact CD1-CD2 3.98Å; Y295-F298 HydrophobicContact CD1-CE2 4.06Å; Y295-F298 HydrophobicContact CE1-CE2 4.38Å; Y295-F298 WeakPolarHBondContact O-CB 3.09Å; Y295-F298 PolarHBondContact O-N 2.77Å; Y295-F298 VanDerWaalsContact O-N 3.14Å; M296-F298 VanDerWaalsContact C-N 3.34Å; F298-L300 VanDerWaalsContact C-N 3.35Å; F298-L300 PolarHBondContact O-N 2.97Å; F298-A301 PolarHBondContact O-N 3.32Å; F298-A302 PolarHBondContact O-N 3.46Å; F298-F358 AromaticContact CD1-CE1 3.91Å; F298-F358 HydrophobicContact CD1-CE1 3.91Å; F298-F358 AromaticContact CD1-CZ 3.54Å; F298-F358 HydrophobicContact CD1-CZ 3.54Å; F298-F358 HydrophobicContact CD2-CE1 4.23Å; F298-F358 AromaticContact CE1-CE1 3.92Å; F298-F358 HydrophobicContact CE1-CE1 3.92Å; F298-F358 AromaticContact CE1-CZ 3.75Å; F298-F358 HydrophobicContact CE1-CZ 3.75Å; F298-F358 HydrophobicContact CE2-CE1 4.26Å; F298-F358 HydrophobicContact CG-CE1 4.07Å; F298-F358 HydrophobicContact CG-CZ 4.02Å; F298-F358 HydrophobicContact CZ-CE1 4.11Å; F298-F358 HydrophobicContact CZ-CZ 4.41Å; F298-M363 HydrophobicContact CD2-CE 4.36Å; F298-M363 HydrophobicContact CE2-CE 3.53Å; F298-M363 HydrophobicContact CZ-CE 3.83Å; F298-V366 HydrophobicContact CE1-CG1 3.89Å; F298-V366 HydrophobicContact CZ-CG1 4.21Å; F298-V366 HydrophobicContact CZ-CG2 4.1Å; F298-Y383 WeakPolarHBondContact CA-OH 3.49Å; F298-Y383 WeakPolarHBondContact CB-OH 3.49Å; F298-Y383 HydrophobicContact CD1-CE2 4.45Å; F298-Y383 PolarHBondContact O-OH 3.48Å; F298-A385 HydrophobicContact CE1-CB 4.4Å; F298-D387 HydrophobicContact CZ-CB 4.36Å; F298-V394 HydrophobicContact CB-CG1 4.29Å; F298-V394 HydrophobicContact CD1-CB 3.98Å; F298-V394 HydrophobicContact CD1-CG1 3.66Å; F298-V394 HydrophobicContact CD1-CG2 4.28Å; F298-V394 HydrophobicContact CE1-CB 3.97Å; F298-V394 HydrophobicContact CE1-CG1 4.13Å; F298-V394 HydrophobicContact CE1-CG2 3.87Å; F298-V394 HydrophobicContact CG-CG1 4.02Å; F298-V394 HydrophobicContact CZ-CG2 4.14Å; F298-S396 PolarHBondContact O-OG 3.23Å; F298-V469 HydrophobicContact CB-CG1 3.84Å |
| 299 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y295 M296 A302 V469 H471 Y497 | Y295-A299 PolarHBondContact O-N 2.88Å; M296-A299 PolarHBondContact O-N 2.78Å; M296-A299 HydrophobicContact SD-CB 3.9Å; A299-A302 WeakPolarHBondContact O-CB 3.39Å; A299-A302 PolarHBondContact O-N 3.23Å; A299-V469 HydrophobicContact CB-CG2 4.08Å; A299-H471 HydrophobicContact CB-CB 4.37Å; A299-Y497 HydrophobicContact CB-CD2 3.94Å; A299-Y497 HydrophobicContact CB-CE2 4.27Å |
| 300 | L | 94.2 | Very high | 92 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 179 | -178.3 | 59.1 | 0 | 0 | 0 | 112.2 | M296 L297 F298 A302 M307 P652 | M296-L300 VanDerWaalsContact O-CB 3.3Å; M296-L300 WeakPolarHBondContact O-CB 3.47Å; M296-L300 PolarHBondContact O-N 3.18Å; L297-L300 PolarHBondContact O-N 3.25Å; F298-L300 VanDerWaalsContact C-N 3.35Å; F298-L300 PolarHBondContact O-N 2.97Å; L300-A302 VanDerWaalsContact C-N 3.32Å; L300-A302 PolarHBondContact O-N 3.28Å; L300-M307 HydrophobicContact CD1-CE 3.62Å; L300-P652 HydrophobicContact CD1-CB 4.03Å; L300-P652 HydrophobicContact CD1-CG 4.17Å |
| 301 | A | 93.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L297 F298 Y303 G304 I354 H357 F358 Y383 | L297-A301 WeakPolarHBondContact O-CB 3.45Å; L297-A301 PolarHBondContact O-N 3.17Å; F298-A301 PolarHBondContact O-N 3.32Å; A301-Y303 PolarHBondContact O-N 3.03Å; A301-G304 PolarHBondContact O-N 3.03Å; A301-I354 HydrophobicContact CB-CG2 4.34Å; A301-I354 VanDerWaalsContact O-CG1 3.3Å; A301-I354 WeakPolarHBondContact O-CG1 3.03Å; A301-H357 HydrophobicContact CB-CB 4.29Å; A301-F358 HydrophobicContact CB-CZ 4.3Å; A301-Y383 HydrophobicContact CB-CE1 4.48Å |
| 302 | A | 93.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 23 Ų | 23 | 10% | 0.099 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F298 A299 L300 G304 Y383 R398 | F298-A302 PolarHBondContact O-N 3.46Å; A299-A302 WeakPolarHBondContact O-CB 3.39Å; A299-A302 PolarHBondContact O-N 3.23Å; L300-A302 VanDerWaalsContact C-N 3.32Å; L300-A302 PolarHBondContact O-N 3.28Å; A302-G304 VanDerWaalsContact C-N 3.26Å; A302-G304 PolarHBondContact O-N 2.63Å; A302-Y383 HydrophobicContact CB-CD1 4.17Å; A302-Y383 HydrophobicContact CB-CE1 3.8Å; A302-R398 HydrophobicContact CB-CB 4.37Å; A302-R398 WeakPolarHBondContact O-CG 3.34Å |
| 303 | Y | 90.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5.1 | 176.3 | -72.8 | -86.1 | 0 | 0 | 0 | 114.6 | A301 P306 M307 R398 G399 L401 H471 P652 | A301-Y303 PolarHBondContact O-N 3.03Å; Y303-P306 WeakPolarHBondContact O-CD 3.27Å; Y303-M307 HydrophobicContact CD1-CG 4.27Å; Y303-M307 HydrophobicContact CD2-CG 4.48Å; Y303-M307 HydrophobicContact CG-CG 3.83Å; Y303-R398 HydrophobicContact CD1-CG 3.89Å; Y303-R398 HydrophobicContact CE1-CG 4.24Å; Y303-R398 HydrophobicContact CG-CG 4.17Å; Y303-G399 WeakPolarHBondContact OH-CA 3.38Å; Y303-L401 HydrophobicContact CD1-CB 4.23Å; Y303-L401 HydrophobicContact CD1-CD1 4.06Å; Y303-L401 HydrophobicContact CD1-CD2 4.23Å; Y303-L401 HydrophobicContact CD1-CG 4.41Å; Y303-L401 HydrophobicContact CE1-CB 4.37Å; Y303-H471 HydrophobicContact CE2-CB 4.17Å; Y303-H471 AromaticContact CZ-ND1 3.9Å; Y303-H471 PolarHBondContact OH-ND1 2.73Å; Y303-P652 HydrophobicContact CD2-CG 4.24Å; Y303-P652 HydrophobicContact CE2-CB 4.22Å; Y303-P652 HydrophobicContact CE2-CG 3.8Å |
| 304 | G | 89.6 | Confident | 88.7 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | 67.2 | -145.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A301 A302 Y308 | A301-G304 PolarHBondContact O-N 3.03Å; A302-G304 VanDerWaalsContact C-N 3.26Å; A302-G304 PolarHBondContact O-N 2.63Å; G304-Y308 PolarHBondContact O-N 3.06Å |
| 305 | W | 85.4 | Confident | 87.8 | Confident | 57 Ų | 57 | 32.8 Ų | 32.8 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -35 | -169 | 72.4 | -93.3 | 0 | 0 | 0 | 115.9 | M307 Y308 L309 L320 C349 N350 A353 P906 | W305-M307 PolarHBondContact O-N 2.73Å; W305-Y308 PolarHBondContact O-N 2.95Å; W305-L309 HydrophobicContact CE3-CD1 3.71Å; W305-L309 HydrophobicContact CE3-CG 4.3Å; W305-L309 HydrophobicContact CZ3-CD1 3.87Å; W305-L309 WeakPolarHBondContact O-CG 3.46Å; W305-L309 PolarHBondContact O-N 3.13Å; W305-L320 HydrophobicContact CB-CD1 3.98Å; W305-C349 HydrophobicContact CB-CB 4.16Å; W305-C349 HydrophobicContact CG-CB 3.99Å; W305-N350 VanDerWaalsContact CD1-OD1 3.26Å; W305-A353 HydrophobicContact CB-CB 3.88Å; W305-P906 HydrophobicContact CZ3-CB 4.14Å |
| 306 | P | 83.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | -178.3 | -22.7 | 34.9 | 0 | 0 | 0 | 111.9 | Y303 Y308 L309 M310 V910 | Y303-P306 WeakPolarHBondContact O-CD 3.27Å; P306-Y308 VanDerWaalsContact C-N 3.35Å; P306-Y308 PolarHBondContact O-N 3.13Å; P306-L309 PolarHBondContact O-N 3Å; P306-M310 WeakPolarHBondContact O-CG 3.49Å; P306-M310 PolarHBondContact O-N 3.09Å; P306-V910 HydrophobicContact CB-CG1 4.33Å |
| 307 | M | 84.4 | Confident | 86 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -32.4 | 177.6 | -81.5 | -58.4 | -50.6 | 0 | 0 | 113.1 | L300 Y303 W305 M310 R311 P652 Y653 | L300-M307 HydrophobicContact CD1-CE 3.62Å; Y303-M307 HydrophobicContact CD1-CG 4.27Å; Y303-M307 HydrophobicContact CD2-CG 4.48Å; Y303-M307 HydrophobicContact CG-CG 3.83Å; W305-M307 PolarHBondContact O-N 2.73Å; M307-M310 HydrophobicContact SD-SD 3.9Å; M307-R311 WeakPolarHBondContact O-CB 3.47Å; M307-R311 PolarHBondContact O-N 2.98Å; M307-R311 VanDerWaalsContact O-N 3.14Å; M307-P652 HydrophobicContact CE-CG 4.06Å; M307-P652 HydrophobicContact SD-CG 4.47Å; M307-Y653 HydrophobicContact CE-CD1 3.97Å |
| 308 | Y | 84.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 40 Ų | 40 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 171.3 | -176.9 | -92.1 | 0 | 0 | 0 | 111.6 | G304 W305 P306 K312 Q319 L320 R356 H357 D360 | G304-Y308 PolarHBondContact O-N 3.06Å; W305-Y308 PolarHBondContact O-N 2.95Å; P306-Y308 VanDerWaalsContact C-N 3.35Å; P306-Y308 PolarHBondContact O-N 3.13Å; Y308-K312 PolarHBondContact O-N 3.08Å; Y308-Q319 PolarHBondContact OH-OE1 3.02Å; Y308-Q319 VanDerWaalsContact OH-OE1 3.08Å; Y308-L320 HydrophobicContact CD1-CD1 3.86Å; Y308-L320 HydrophobicContact CD1-CD2 3.94Å; Y308-L320 HydrophobicContact CD1-CG 3.78Å; Y308-L320 HydrophobicContact CE1-CD1 4.4Å; Y308-L320 HydrophobicContact CE1-CD2 4.05Å; Y308-L320 HydrophobicContact CE1-CG 3.84Å; Y308-R356 HydrophobicContact CE1-CG 4.28Å; Y308-R356 HydrophobicContact CE2-CB 4.27Å; Y308-R356 HydrophobicContact CE2-CG 3.83Å; Y308-R356 VanDerWaalsContact OH-CG 3.24Å; Y308-R356 WeakPolarHBondContact OH-CG 3.37Å; Y308-H357 HydrophobicContact CD2-CB 4.47Å; Y308-D360 WeakPolarHBondContact CE2-OD2 3.39Å; Y308-D360 PolarHBondContact OH-OD2 2.78Å |
| 309 | L | 85.2 | Confident | 84.2 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -45.6 | 175.9 | -68.5 | -171.4 | 0 | 0 | 0 | 112.7 | W305 P306 R311 K312 P313 L317 L320 P906 | W305-L309 HydrophobicContact CE3-CD1 3.71Å; W305-L309 HydrophobicContact CE3-CG 4.3Å; W305-L309 HydrophobicContact CZ3-CD1 3.87Å; W305-L309 WeakPolarHBondContact O-CG 3.46Å; W305-L309 PolarHBondContact O-N 3.13Å; P306-L309 PolarHBondContact O-N 3Å; L309-R311 PolarHBondContact O-N 3.49Å; L309-K312 CarbonylContact O-C 3.43Å; L309-K312 PolarHBondContact O-N 3.29Å; L309-P313 WeakPolarHBondContact O-CA 3.15Å; L309-P313 VanDerWaalsContact O-N 3.12Å; L309-L317 HydrophobicContact CD1-CD2 3.66Å; L309-L317 HydrophobicContact CD1-CG 4.07Å; L309-L317 HydrophobicContact CD2-CB 4.41Å; L309-L317 HydrophobicContact CD2-CD2 4.07Å; L309-L317 HydrophobicContact CD2-CG 3.84Å; L309-L317 VanDerWaalsContact CD2-N 3.28Å; L309-L320 HydrophobicContact CD2-CD1 3.87Å; L309-L320 HydrophobicContact CG-CD1 4.22Å; L309-P906 HydrophobicContact CD1-CB 4.09Å |
| 310 | M | 81 | Confident | 83.3 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.3 | -36.5 | 177.3 | -70.6 | 175.9 | 73.5 | 0 | 0 | 112.3 | P306 M307 | P306-M310 WeakPolarHBondContact O-CG 3.49Å; P306-M310 PolarHBondContact O-N 3.09Å; M307-M310 HydrophobicContact SD-SD 3.9Å |
| 311 | R | 81.1 | Confident | 82.2 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 35% | 0.347 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -79.4 | -17.5 | 176.9 | -172 | 170.4 | 175.4 | -123.6 | -3.1 | 114 | M307 L309 E361 | M307-R311 WeakPolarHBondContact O-CB 3.47Å; M307-R311 PolarHBondContact O-N 2.98Å; M307-R311 VanDerWaalsContact O-N 3.14Å; L309-R311 PolarHBondContact O-N 3.49Å; R311-E361 IonicContact CZ-OE1 2.7Å; R311-E361 IonicContact NH1-OE1 3.47Å; R311-E361 PolarHBondContact NH1-OE1 2.91Å; R311-E361 IonicContact NH2-OE1 2.78Å; R311-E361 PolarHBondContact NH2-OE1 3.03Å |
| 312 | K | 81.8 | Confident | 81 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | trans | -137.4 | 55.7 | -176.8 | -63.4 | -66.9 | -177 | -179.5 | 0 | 112.2 | Y308 L309 A314 C315 G316 | Y308-K312 PolarHBondContact O-N 3.08Å; L309-K312 CarbonylContact O-C 3.43Å; L309-K312 PolarHBondContact O-N 3.29Å; K312-A314 VanDerWaalsContact C-N 3.33Å; K312-A314 PolarHBondContact O-N 2.96Å; K312-C315 PolarHBondContact O-N 2.8Å; K312-G316 WeakPolarHBondContact O-CA 3.42Å; K312-G316 PolarHBondContact O-N 3.16Å | ||
| 313 | P | 76.1 | Confident | 79.7 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -38 | -169.2 | 22.8 | -34 | 0 | 0 | 0 | 113.7 | L309 C315 | L309-P313 WeakPolarHBondContact O-CA 3.15Å; L309-P313 VanDerWaalsContact O-N 3.12Å; P313-C315 PolarHBondContact O-N 3.3Å |
| 314 | A | 77.4 | Confident | 78.3 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | K312 | K312-A314 VanDerWaalsContact C-N 3.33Å; K312-A314 PolarHBondContact O-N 2.96Å |
| 315 | C | 77.4 | Confident | 76.7 | Confident | 64 Ų | 64 | 61.7 Ų | 61.7 | 43% | 0.432 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | -6.8 | -172.2 | -79.8 | 0 | 0 | 0 | 0 | 115.1 | K312 P313 L317 C318 Q319 | K312-C315 PolarHBondContact O-N 2.8Å; P313-C315 PolarHBondContact O-N 3.3Å; C315-L317 VanDerWaalsContact C-N 3.3Å; C315-L317 PolarHBondContact O-N 2.78Å; C315-C318 WeakPolarHBondContact O-CB 3.44Å; C315-C318 PolarHBondContact O-N 3.47Å; C315-C318 VanDerWaalsContact O-N 3.08Å; C315-Q319 WeakPolarHBondContact O-CG 3.41Å; C315-Q319 PolarHBondContact O-N 3.2Å |
| 316 | G | 78.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K312 C318 Q319 L320 | K312-G316 WeakPolarHBondContact O-CA 3.42Å; K312-G316 PolarHBondContact O-N 3.16Å; G316-C318 PolarHBondContact O-N 3.4Å; G316-Q319 PolarHBondContact O-N 3.4Å; G316-L320 WeakPolarHBondContact O-CB 3.46Å; G316-L320 WeakPolarHBondContact O-CG 3.32Å; G316-L320 PolarHBondContact O-N 3.43Å |
| 317 | L | 77.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 45% | 0.45 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 174 | -77.1 | 166.2 | 0 | 0 | 0 | 111.6 | L309 C315 Q319 L320 A321 | L309-L317 HydrophobicContact CD1-CD2 3.66Å; L309-L317 HydrophobicContact CD1-CG 4.07Å; L309-L317 HydrophobicContact CD2-CB 4.41Å; L309-L317 HydrophobicContact CD2-CD2 4.07Å; L309-L317 HydrophobicContact CD2-CG 3.84Å; L309-L317 VanDerWaalsContact CD2-N 3.28Å; C315-L317 VanDerWaalsContact C-N 3.3Å; C315-L317 PolarHBondContact O-N 2.78Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.35Å; L317-L320 PolarHBondContact O-N 2.77Å; L317-A321 WeakPolarHBondContact O-CB 3.06Å; L317-A321 PolarHBondContact O-N 2.83Å |
| 318 | C | 77.4 | Confident | 71.1 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 58% | 0.581 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.6 | -36 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | C315 G316 R322 | C315-C318 WeakPolarHBondContact O-CB 3.44Å; C315-C318 PolarHBondContact O-N 3.47Å; C315-C318 VanDerWaalsContact O-N 3.08Å; G316-C318 PolarHBondContact O-N 3.4Å; C318-R322 VanDerWaalsContact O-CB 3.3Å; C318-R322 WeakPolarHBondContact O-CB 3.39Å; C318-R322 PolarHBondContact O-N 3.46Å |
| 319 | Q | 78.3 | Confident | 69.2 | Low | 58 Ų | 58 | 77.5 Ų | 77.5 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -78 | -35.8 | -178.7 | -65.4 | -179 | 25.1 | 0 | 0 | 112.7 | Y308 C315 G316 L317 S323 | Y308-Q319 PolarHBondContact OH-OE1 3.02Å; Y308-Q319 VanDerWaalsContact OH-OE1 3.08Å; C315-Q319 WeakPolarHBondContact O-CG 3.41Å; C315-Q319 PolarHBondContact O-N 3.2Å; G316-Q319 PolarHBondContact O-N 3.4Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.35Å; Q319-S323 PolarHBondContact O-N 3.06Å; Q319-S323 PolarHBondContact O-OG 3.48Å |
| 320 | L | 77.2 | Confident | 67.2 | Low | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66.5 | -48.3 | 167.6 | -70.2 | 179 | 0 | 0 | 0 | 110.7 | W305 Y308 L309 G316 L317 R322 S323 C324 I352 A353 R356 | W305-L320 HydrophobicContact CB-CD1 3.98Å; Y308-L320 HydrophobicContact CD1-CD1 3.86Å; Y308-L320 HydrophobicContact CD1-CD2 3.94Å; Y308-L320 HydrophobicContact CD1-CG 3.78Å; Y308-L320 HydrophobicContact CE1-CD1 4.4Å; Y308-L320 HydrophobicContact CE1-CD2 4.05Å; Y308-L320 HydrophobicContact CE1-CG 3.84Å; L309-L320 HydrophobicContact CD2-CD1 3.87Å; L309-L320 HydrophobicContact CG-CD1 4.22Å; G316-L320 WeakPolarHBondContact O-CB 3.46Å; G316-L320 WeakPolarHBondContact O-CG 3.32Å; G316-L320 PolarHBondContact O-N 3.43Å; L317-L320 PolarHBondContact O-N 2.77Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 3.45Å; L320-S323 CarbonylContact O-C 3.28Å; L320-S323 WeakPolarHBondContact O-CA 3.06Å; L320-S323 WeakPolarHBondContact O-CB 3.41Å; L320-S323 PolarHBondContact O-N 2.95Å; L320-C324 WeakPolarHBondContact O-CB 3.32Å; L320-C324 PolarHBondContact O-N 3.17Å; L320-I352 HydrophobicContact CD2-CG2 4.07Å; L320-A353 HydrophobicContact CD2-CB 3.94Å; L320-R356 HydrophobicContact CD2-CB 4.45Å |
| 321 | A | 70.7 | Confident | 65.6 | Low | 66 Ų | 66 | 82.5 Ų | 82.5 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L317 S323 C324 | L317-A321 WeakPolarHBondContact O-CB 3.06Å; L317-A321 PolarHBondContact O-N 2.83Å; A321-S323 PolarHBondContact O-N 2.88Å; A321-C324 PolarHBondContact O-N 3.08Å; A321-C324 VanDerWaalsContact O-N 3.1Å |
| 322 | R | 69.8 | Low | 64.1 | Low | 235 Ų | 235 | 88.8 Ų | 88.8 | 89% | 0.887 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -22.2 | 173.6 | -175.3 | 174.9 | 177.3 | 121.4 | -0.3 | 113.5 | C318 L320 | C318-R322 VanDerWaalsContact O-CB 3.3Å; C318-R322 WeakPolarHBondContact O-CB 3.39Å; C318-R322 PolarHBondContact O-N 3.46Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 3.45Å |
| 323 | S | 66.3 | Low | 62.6 | Low | 50 Ų | 50 | 86.6 Ų | 86.6 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -98.3 | -7.8 | 177.9 | -50.6 | 0 | 0 | 0 | 0 | 113 | Q319 L320 A321 | Q319-S323 PolarHBondContact O-N 3.06Å; Q319-S323 PolarHBondContact O-OG 3.48Å; L320-S323 CarbonylContact O-C 3.28Å; L320-S323 WeakPolarHBondContact O-CA 3.06Å; L320-S323 WeakPolarHBondContact O-CB 3.41Å; L320-S323 PolarHBondContact O-N 2.95Å; A321-S323 PolarHBondContact O-N 2.88Å |
| 324 | C | 61.6 | Low | 61.4 | Low | 25 Ų | 25 | 93 Ų | 93 | 17% | 0.169 | 52% | 0.519 | C | S | . | . | trans | -114.8 | 109.7 | -166.6 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | L320 A321 C326 I352 | L320-C324 WeakPolarHBondContact O-CB 3.32Å; L320-C324 PolarHBondContact O-N 3.17Å; A321-C324 PolarHBondContact O-N 3.08Å; A321-C324 VanDerWaalsContact O-N 3.1Å; C324-C326 VanDerWaalsContact C-N 3.31Å; C324-C326 PolarHBondContact O-N 2.96Å; C324-I352 HydrophobicContact CB-CD1 4.15Å | ||
| 325 | S | 55.3 | Low | 60.5 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | trans | -80.3 | 78.1 | 173.6 | -50.3 | 0 | 0 | 0 | 0 | 111 | A331 | S325-A331 WeakPolarHBondContact CB-O 3.4Å; S325-A331 PolarHBondContact OG-O 2.81Å | ||
| 326 | C | 47.6 | Very low | 59.5 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | trans | -61.9 | 163.1 | 172.7 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | C324 L328 C329 | C324-C326 VanDerWaalsContact C-N 3.31Å; C324-C326 PolarHBondContact O-N 2.96Å; C326-L328 PolarHBondContact O-N 2.97Å; C326-C329 PolarHBondContact O-N 3.27Å | ||
| 327 | C | 45.3 | Very low | 58.2 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -2.6 | -163.4 | -54.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 328 | L | 44.2 | Very low | 57.4 | Low | 173 Ų | 173 | 93.6 Ų | 93.6 | 91% | 0.906 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6 | 174.4 | -70.8 | 163.5 | 0 | 0 | 0 | 113.3 | C326 | C326-L328 PolarHBondContact O-N 2.97Š|
| 329 | C | 43.1 | Very low | 57.2 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | trans | -109.6 | 121.6 | 178.1 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | C326 A331 | C326-C329 PolarHBondContact O-N 3.27Å; C329-A331 PolarHBondContact O-N 3.3Å; C329-A331 VanDerWaalsContact O-N 3.15Å | ||
| 330 | P | 44.6 | Very low | 57.3 | Low | 141 Ų | 141 | 90.5 Ų | 90.5 | 92% | 0.916 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -73 | -5.2 | -176.5 | 29.1 | -35.6 | 0 | 0 | 0 | 114.7 | ||
| 331 | A | 47.2 | Very low | 57.5 | Low | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -96.4 | 101.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S325 C329 | S325-A331 WeakPolarHBondContact CB-O 3.4Å; S325-A331 PolarHBondContact OG-O 2.81Å; C329-A331 PolarHBondContact O-N 3.3Å; C329-A331 VanDerWaalsContact O-N 3.15Å |
| 332 | R | 49.4 | Very low | 57.9 | Low | 224 Ų | 224 | 91.7 Ų | 91.7 | 85% | 0.845 | 51% | 0.505 | S | S | * | . | trans | -51.6 | 147.5 | 167.7 | -76 | -174.3 | 176.3 | -173.8 | -1.4 | 110.9 | R334 | R332-R334 PolarHBondContact O-N 3.34Å; R332-R334 VanDerWaalsContact O-N 3.09Å | ||
| 333 | P | 50.7 | Low | 57.9 | Low | 43 Ų | 43 | 86.7 Ų | 86.7 | 28% | 0.279 | 49% | 0.492 | S | S | . | . | trans | -60.1 | 117.2 | 174.8 | 26.5 | -33.9 | 0 | 0 | 0 | 109.4 | F335 I352 | P333-F335 VanDerWaalsContact C-N 3.33Å; P333-F335 HydrophobicContact CB-CE2 4.31Å; P333-F335 HydrophobicContact CG-CE2 4.18Å; P333-F335 PolarHBondContact O-N 3.08Å; P333-I352 HydrophobicContact CB-CD1 4.42Å; P333-I352 HydrophobicContact CG-CD1 4.37Å | ||
| 334 | R | 50.8 | Low | 58.4 | Low | 231 Ų | 231 | 85.5 Ų | 85.5 | 87% | 0.872 | 48% | 0.482 | S | S | * | . | trans | -75.9 | 86.3 | 178 | -62.6 | -172.8 | -167.1 | 175.6 | 4.6 | 109.6 | R332 | R332-R334 PolarHBondContact O-N 3.34Å; R332-R334 VanDerWaalsContact O-N 3.09Å | ||
| 335 | F | 58.2 | Low | 58.8 | Low | 44 Ų | 44 | 87.3 Ų | 87.3 | 19% | 0.193 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 155.1 | 152.4 | -69.4 | -89.1 | 0 | 0 | 0 | 109.1 | P333 V339 I341 A351 I352 | P333-F335 VanDerWaalsContact C-N 3.33Å; P333-F335 HydrophobicContact CB-CE2 4.31Å; P333-F335 HydrophobicContact CG-CE2 4.18Å; P333-F335 PolarHBondContact O-N 3.08Å; F335-V339 HydrophobicContact CB-CB 4.19Å; F335-V339 HydrophobicContact CB-CG2 4.34Å; F335-V339 HydrophobicContact CD1-CG1 4.39Å; F335-I341 HydrophobicContact CD1-CD1 4.19Å; F335-I341 HydrophobicContact CD2-CD1 3.78Å; F335-I341 HydrophobicContact CE1-CD1 4.08Å; F335-I341 HydrophobicContact CE2-CD1 3.66Å; F335-I341 HydrophobicContact CG-CD1 4.05Å; F335-I341 HydrophobicContact CZ-CD1 3.82Å; F335-A351 HydrophobicContact CE1-CB 3.95Å; F335-A351 HydrophobicContact CE2-CB 4.48Å; F335-A351 HydrophobicContact CZ-CB 3.6Å; F335-I352 HydrophobicContact CE2-CG1 4.36Å; F335-I352 HydrophobicContact CZ-CG1 3.95Å |
| 336 | A | 55.2 | Low | 59.4 | Low | 46 Ų | 46 | 91 Ų | 91 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 151.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G338 V339 | A336-G338 PolarHBondContact O-N 3.46Å; A336-V339 HydrophobicContact CB-CG2 4.3Å; A336-V339 WeakPolarHBondContact O-CG2 3Å; A336-V339 PolarHBondContact O-N 3.4Å |
| 337 | P | 52.3 | Low | 60.3 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 77% | 0.773 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.7 | 173.7 | 22.4 | -32.5 | 0 | 0 | 0 | 110.8 | R455 | P337-R455 PolarHBondContact O-NH1 3.07Å; P337-R455 PolarHBondContact O-NH2 3.41Å; P337-R455 VanDerWaalsContact O-NH2 3.15Å |
| 338 | G | 61.1 | Low | 61.5 | Low | 48 Ų | 48 | 84.2 Ų | 84.2 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 32.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A336 R455 | A336-G338 PolarHBondContact O-N 3.46Å; G338-R455 PolarHBondContact O-NH1 3.13Å |
| 339 | V | 73.5 | Confident | 63.2 | Low | 29 Ų | 29 | 77.2 Ų | 77.2 | 18% | 0.176 | 44% | 0.436 | C | S | . | . | trans | -96.7 | 121.3 | 156.8 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | F335 A336 I341 I368 V369 | F335-V339 HydrophobicContact CB-CB 4.19Å; F335-V339 HydrophobicContact CB-CG2 4.34Å; F335-V339 HydrophobicContact CD1-CG1 4.39Å; A336-V339 HydrophobicContact CB-CG2 4.3Å; A336-V339 WeakPolarHBondContact O-CG2 3Å; A336-V339 PolarHBondContact O-N 3.4Å; V339-I341 HydrophobicContact CG1-CG1 4.21Å; V339-I368 HydrophobicContact CG1-CG2 4.36Å; V339-I368 VanDerWaalsContact CG2-O 3.26Å; V339-I368 WeakPolarHBondContact CG2-O 3.43Å; V339-V369 WeakPolarHBondContact CA-O 3.16Å | ||
| 340 | T | 79.3 | Confident | 65.2 | Low | 51 Ų | 51 | 75 Ų | 75 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.7 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | V369 Y370 T371 | T340-V369 PolarHBondContact N-O 3.48Å; T340-Y370 HydrophobicContact CG2-CD2 3.9Å; T340-Y370 HydrophobicContact CG2-CE2 3.78Å; T340-Y370 CarbonylContact O-C 3.45Å; T340-Y370 WeakPolarHBondContact O-CA 3.45Å; T340-T371 PolarHBondContact O-N 3.24Å |
| 341 | I | 81.9 | Confident | 67.1 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 30% | 0.303 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.8 | -179.3 | -57.1 | 169.5 | 0 | 0 | 0 | 108.2 | F335 V339 D344 A351 T371 | F335-I341 HydrophobicContact CD1-CD1 4.19Å; F335-I341 HydrophobicContact CD2-CD1 3.78Å; F335-I341 HydrophobicContact CE1-CD1 4.08Å; F335-I341 HydrophobicContact CE2-CD1 3.66Å; F335-I341 HydrophobicContact CG-CD1 4.05Å; F335-I341 HydrophobicContact CZ-CD1 3.82Å; V339-I341 HydrophobicContact CG1-CG1 4.21Å; I341-D344 HydrophobicContact CG2-CB 3.62Å; I341-A351 HydrophobicContact CD1-CB 3.66Å; I341-A351 HydrophobicContact CG1-CB 4.19Å; I341-A351 HydrophobicContact CG2-CB 4.31Å; I341-T371 CarbonylContact C-O 3.6Å; I341-T371 WeakPolarHBondContact CA-O 3.25Å |
| 342 | E | 78.9 | Confident | 68.9 | Low | 48 Ų | 48 | 66 Ų | 66 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.4 | 178 | 175.1 | 176.5 | -124.4 | 0 | 0 | 110.5 | D344 Y370 T371 S372 C373 K442 | E342-D344 PolarHBondContact O-N 2.85Å; E342-Y370 PolarHBondContact OE2-OH 3.48Å; E342-T371 PolarHBondContact N-O 2.85Å; E342-S372 VanDerWaalsContact OE2-CB 3.31Å; E342-S372 WeakPolarHBondContact OE2-CB 3.27Å; E342-S372 PolarHBondContact OE2-OG 3.3Å; E342-C373 PolarHBondContact O-N 2.03Å; E342-K442 IonicContact OE1-NZ 3.27Å; E342-K442 PolarHBondContact OE1-NZ 3.09Å; E342-K442 IonicContact OE2-NZ 3.96Å; E342-K442 PolarHBondContact OE2-NZ 3.36Å |
| 343 | E | 70.5 | Confident | 70.7 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 49.9 | 23.7 | 172.1 | -64.1 | -165.1 | -171.2 | 0 | 0 | 117.7 | H374 | E343-H374 VanDerWaalsContact CD-ND1 3.33Å; E343-H374 IonicContact OE1-ND1 2.7Å; E343-H374 IonicContact OE2-CE1 2.73Å; E343-H374 IonicContact OE2-CG 2.75Å; E343-H374 IonicContact OE2-ND1 2.72Å; E343-H374 PolarHBondContact OE2-ND1 2.99Å |
| 344 | D | 75.6 | Confident | 72.6 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | trans | -65.4 | 160.6 | 165.9 | -159.1 | -4.8 | 0 | 0 | 0 | 110.7 | I341 E342 G348 N350 A351 C373 | I341-D344 HydrophobicContact CG2-CB 3.62Å; E342-D344 PolarHBondContact O-N 2.85Å; D344-G348 VanDerWaalsContact OD2-CA 3.32Å; D344-G348 WeakPolarHBondContact OD2-CA 3.33Å; D344-N350 WeakPolarHBondContact OD1-CB 3.46Å; D344-N350 PolarHBondContact OD1-N 3.24Å; D344-N350 PolarHBondContact OD1-ND2 3.15Å; D344-N350 PolarHBondContact OD2-N 2.87Å; D344-N350 VanDerWaalsContact OD2-N 3.08Å; D344-A351 PolarHBondContact OD2-N 3.37Å; D344-C373 HydrophobicContact CB-CB 4.4Å | ||
| 345 | N | 71.1 | Confident | 74.5 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | trans | -64.8 | 169.5 | -177.4 | 77 | 18.5 | 0 | 0 | 0 | 112.3 | C347 G348 C349 | N345-C347 PolarHBondContact O-N 3.21Å; N345-C347 WeakPolarHBondContact OD1-CA 3.24Å; N345-C347 PolarHBondContact OD1-N 2.83Å; N345-G348 PolarHBondContact O-N 2.97Å; N345-G348 PolarHBondContact OD1-N 3.38Å; N345-C349 WeakPolarHBondContact ND2-CB 3.25Å; N345-C349 PolarHBondContact ND2-SG 2.97Å; N345-C349 PolarHBondContact OD1-N 2.97Å | ||
| 346 | C | 66.9 | Low | 75.9 | Confident | 120 Ų | 120 | 49 Ų | 49 | 81% | 0.811 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 347 | C | 65.8 | Low | 77.6 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -3.6 | -179 | -74.3 | 0 | 0 | 0 | 0 | 113.6 | N345 C349 I352 | N345-C347 PolarHBondContact O-N 3.21Å; N345-C347 WeakPolarHBondContact OD1-CA 3.24Å; N345-C347 PolarHBondContact OD1-N 2.83Å; C347-C349 VanDerWaalsContact C-N 3.33Å; C347-C349 VanDerWaalsContact CB-SG 3.52Å; C347-I352 WeakPolarHBondContact O-CD1 3.36Å |
| 348 | G | 71.9 | Confident | 79.5 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | trans | 67.3 | 27.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D344 N345 N350 A351 I352 | D344-G348 VanDerWaalsContact OD2-CA 3.32Å; D344-G348 WeakPolarHBondContact OD2-CA 3.33Å; N345-G348 PolarHBondContact O-N 2.97Å; N345-G348 PolarHBondContact OD1-N 3.38Å; G348-N350 VanDerWaalsContact C-N 3.31Å; G348-N350 PolarHBondContact O-N 3.35Å; G348-A351 PolarHBondContact O-N 2.82Å; G348-I352 WeakPolarHBondContact O-CB 3.49Å; G348-I352 WeakPolarHBondContact O-CD1 3.21Å; G348-I352 WeakPolarHBondContact O-CG1 3.35Å; G348-I352 PolarHBondContact O-N 3.36Å | ||
| 349 | C | 79.8 | Confident | 80.8 | Confident | 26 Ų | 26 | 43 Ų | 43 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -30 | -167.4 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | W305 N345 C347 A353 | W305-C349 HydrophobicContact CB-CB 4.16Å; W305-C349 HydrophobicContact CG-CB 3.99Å; N345-C349 WeakPolarHBondContact ND2-CB 3.25Å; N345-C349 PolarHBondContact ND2-SG 2.97Å; N345-C349 PolarHBondContact OD1-N 2.97Å; C347-C349 VanDerWaalsContact C-N 3.33Å; C347-C349 VanDerWaalsContact CB-SG 3.52Å; C349-A353 WeakPolarHBondContact O-CB 3.48Å; C349-A353 PolarHBondContact O-N 3.26Å |
| 350 | N | 83.7 | Confident | 81.5 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.6 | -49.3 | -179.6 | -64.8 | -64.6 | 0 | 0 | 0 | 110.8 | W305 D344 G348 I352 A353 I354 | W305-N350 VanDerWaalsContact CD1-OD1 3.26Å; D344-N350 WeakPolarHBondContact OD1-CB 3.46Å; D344-N350 PolarHBondContact OD1-N 3.24Å; D344-N350 PolarHBondContact OD1-ND2 3.15Å; D344-N350 PolarHBondContact OD2-N 2.87Å; D344-N350 VanDerWaalsContact OD2-N 3.08Å; G348-N350 VanDerWaalsContact C-N 3.31Å; G348-N350 PolarHBondContact O-N 3.35Å; N350-I352 VanDerWaalsContact C-N 3.29Å; N350-I352 PolarHBondContact O-N 3.33Å; N350-A353 PolarHBondContact O-N 2.91Å; N350-A353 VanDerWaalsContact O-N 3.12Å; N350-I354 VanDerWaalsContact O-CG1 3.3Å; N350-I354 WeakPolarHBondContact O-CG1 3.21Å; N350-I354 PolarHBondContact O-N 3.43Å |
| 351 | A | 84.6 | Confident | 82 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F335 I341 D344 G348 R355 | F335-A351 HydrophobicContact CE1-CB 3.95Å; F335-A351 HydrophobicContact CE2-CB 4.48Å; F335-A351 HydrophobicContact CZ-CB 3.6Å; I341-A351 HydrophobicContact CD1-CB 3.66Å; I341-A351 HydrophobicContact CG1-CB 4.19Å; I341-A351 HydrophobicContact CG2-CB 4.31Å; D344-A351 PolarHBondContact OD2-N 3.37Å; G348-A351 PolarHBondContact O-N 2.82Å; A351-R355 WeakPolarHBondContact O-CB 3.21Å; A351-R355 PolarHBondContact O-N 3.37Å; A351-R355 VanDerWaalsContact O-N 3.1Å |
| 352 | I | 84.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 172.2 | -70 | 168 | 0 | 0 | 0 | 111 | L320 C324 P333 F335 C347 G348 N350 R355 R356 | L320-I352 HydrophobicContact CD2-CG2 4.07Å; C324-I352 HydrophobicContact CB-CD1 4.15Å; P333-I352 HydrophobicContact CB-CD1 4.42Å; P333-I352 HydrophobicContact CG-CD1 4.37Å; F335-I352 HydrophobicContact CE2-CG1 4.36Å; F335-I352 HydrophobicContact CZ-CG1 3.95Å; C347-I352 WeakPolarHBondContact O-CD1 3.36Å; G348-I352 WeakPolarHBondContact O-CB 3.49Å; G348-I352 WeakPolarHBondContact O-CD1 3.21Å; G348-I352 WeakPolarHBondContact O-CG1 3.35Å; G348-I352 PolarHBondContact O-N 3.36Å; N350-I352 VanDerWaalsContact C-N 3.29Å; N350-I352 PolarHBondContact O-N 3.33Å; I352-R355 PolarHBondContact O-N 3.27Å; I352-R356 WeakPolarHBondContact O-CB 3.2Å; I352-R356 PolarHBondContact O-N 3.32Å |
| 353 | A | 88.7 | Confident | 83 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W305 L320 C349 N350 R355 R356 H357 | W305-A353 HydrophobicContact CB-CB 3.88Å; L320-A353 HydrophobicContact CD2-CB 3.94Å; C349-A353 WeakPolarHBondContact O-CB 3.48Å; C349-A353 PolarHBondContact O-N 3.26Å; N350-A353 PolarHBondContact O-N 2.91Å; N350-A353 VanDerWaalsContact O-N 3.12Å; A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 3.1Å; A353-R356 PolarHBondContact O-N 3.37Å; A353-H357 WeakPolarHBondContact O-CB 3.32Å; A353-H357 PolarHBondContact O-N 3.46Å |
| 354 | I | 90.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 173.1 | -64.2 | 159.4 | 0 | 0 | 0 | 109.5 | A301 N350 R356 H357 F358 I368 T371 Y383 | A301-I354 HydrophobicContact CB-CG2 4.34Å; A301-I354 VanDerWaalsContact O-CG1 3.3Å; A301-I354 WeakPolarHBondContact O-CG1 3.03Å; N350-I354 VanDerWaalsContact O-CG1 3.3Å; N350-I354 WeakPolarHBondContact O-CG1 3.21Å; N350-I354 PolarHBondContact O-N 3.43Å; I354-R356 PolarHBondContact O-N 2.8Å; I354-H357 WeakPolarHBondContact O-CB 3.46Å; I354-H357 PolarHBondContact O-N 3.07Å; I354-F358 HydrophobicContact CG2-CD2 4.26Å; I354-F358 HydrophobicContact CG2-CE2 3.73Å; I354-F358 WeakPolarHBondContact O-CD2 3.26Å; I354-F358 PolarHBondContact O-N 2.79Å; I354-I368 HydrophobicContact CB-CD1 4.11Å; I354-I368 HydrophobicContact CG2-CD1 3.6Å; I354-I368 HydrophobicContact CG2-CG1 4.25Å; I354-T371 HydrophobicContact CD1-CG2 3.93Å; I354-Y383 HydrophobicContact CD1-CD1 3.99Å; I354-Y383 HydrophobicContact CD1-CG 4.27Å; I354-Y383 HydrophobicContact CG2-CD1 4.44Å; I354-Y383 HydrophobicContact CG2-CD2 4.26Å; I354-Y383 HydrophobicContact CG2-CE1 4.23Å; I354-Y383 HydrophobicContact CG2-CE2 4.06Å; I354-Y383 HydrophobicContact CG2-CG 4.46Å |
| 355 | R | 89 | Confident | 84.4 | Confident | 132 Ų | 132 | 45.5 Ų | 45.5 | 50% | 0.498 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.4 | -171.7 | -178.9 | 178.4 | -152 | -1.1 | 112.4 | A351 I352 A353 F358 L359 I368 | A351-R355 WeakPolarHBondContact O-CB 3.21Å; A351-R355 PolarHBondContact O-N 3.37Å; A351-R355 VanDerWaalsContact O-N 3.1Å; I352-R355 PolarHBondContact O-N 3.27Å; A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 3.1Å; R355-F358 PolarHBondContact O-N 3.02Å; R355-L359 HydrophobicContact CG-CD1 4.36Å; R355-L359 WeakPolarHBondContact O-CG 3.27Å; R355-L359 PolarHBondContact O-N 2.95Å; R355-I368 HydrophobicContact CB-CD1 3.87Å |
| 356 | R | 88.1 | Confident | 85.5 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | -178.6 | -172.5 | 69.9 | -168.9 | 96.9 | 7.3 | 111.7 | Y308 L320 I352 A353 I354 L359 D360 | Y308-R356 HydrophobicContact CE1-CG 4.28Å; Y308-R356 HydrophobicContact CE2-CB 4.27Å; Y308-R356 HydrophobicContact CE2-CG 3.83Å; Y308-R356 VanDerWaalsContact OH-CG 3.24Å; Y308-R356 WeakPolarHBondContact OH-CG 3.37Å; L320-R356 HydrophobicContact CD2-CB 4.45Å; I352-R356 WeakPolarHBondContact O-CB 3.2Å; I352-R356 PolarHBondContact O-N 3.32Å; A353-R356 PolarHBondContact O-N 3.37Å; I354-R356 PolarHBondContact O-N 2.8Å; R356-L359 PolarHBondContact O-N 3.32Å; R356-D360 VanDerWaalsContact CZ-CG 3.42Å; R356-D360 IonicContact CZ-OD1 2.88Å; R356-D360 IonicContact CZ-OD2 3.93Å; R356-D360 VanDerWaalsContact CZ-OD2 3.27Å; R356-D360 IonicContact NE-OD2 2.78Å; R356-D360 IonicContact NH1-OD1 3.69Å; R356-D360 PolarHBondContact NH1-OD1 3.1Å; R356-D360 IonicContact NH1-OD2 2.63Å; R356-D360 PolarHBondContact NH1-OD2 3.49Å; R356-D360 IonicContact NH2-OD1 2.94Å; R356-D360 PolarHBondContact NH2-OD1 3.26Å; R356-D360 IonicContact NH2-OD2 2.68Å; R356-D360 PolarHBondContact NH2-OD2 3.09Å; R356-D360 PolarHBondContact O-N 3.42Å |
| 357 | H | 90.8 | Very high | 86.6 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.6 | -54.6 | 173.2 | -173.2 | 113.8 | 0 | 0 | 0 | 111.1 | L297 A301 Y308 A353 I354 L359 D360 E361 | L297-H357 PolarHBondContact O-NE2 3Å; A301-H357 HydrophobicContact CB-CB 4.29Å; Y308-H357 HydrophobicContact CD2-CB 4.47Å; A353-H357 WeakPolarHBondContact O-CB 3.32Å; A353-H357 PolarHBondContact O-N 3.46Å; I354-H357 WeakPolarHBondContact O-CB 3.46Å; I354-H357 PolarHBondContact O-N 3.07Å; H357-L359 VanDerWaalsContact C-N 3.29Å; H357-L359 PolarHBondContact O-N 2.82Å; H357-D360 PolarHBondContact O-N 3.41Å; H357-D360 VanDerWaalsContact O-N 3.12Å; H357-E361 WeakPolarHBondContact O-CG 3.21Å; H357-E361 PolarHBondContact O-N 2.68Å |
| 358 | F | 92.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -36.3 | 178.4 | -66.5 | -57.1 | 0 | 0 | 0 | 113 | F298 A301 I354 R355 D360 E361 N362 M363 V366 Y383 | F298-F358 AromaticContact CD1-CE1 3.91Å; F298-F358 HydrophobicContact CD1-CE1 3.91Å; F298-F358 AromaticContact CD1-CZ 3.54Å; F298-F358 HydrophobicContact CD1-CZ 3.54Å; F298-F358 HydrophobicContact CD2-CE1 4.23Å; F298-F358 AromaticContact CE1-CE1 3.92Å; F298-F358 HydrophobicContact CE1-CE1 3.92Å; F298-F358 AromaticContact CE1-CZ 3.75Å; F298-F358 HydrophobicContact CE1-CZ 3.75Å; F298-F358 HydrophobicContact CE2-CE1 4.26Å; F298-F358 HydrophobicContact CG-CE1 4.07Å; F298-F358 HydrophobicContact CG-CZ 4.02Å; F298-F358 HydrophobicContact CZ-CE1 4.11Å; F298-F358 HydrophobicContact CZ-CZ 4.41Å; A301-F358 HydrophobicContact CB-CZ 4.3Å; I354-F358 HydrophobicContact CG2-CD2 4.26Å; I354-F358 HydrophobicContact CG2-CE2 3.73Å; I354-F358 WeakPolarHBondContact O-CD2 3.26Å; I354-F358 PolarHBondContact O-N 2.79Å; R355-F358 PolarHBondContact O-N 3.02Å; F358-D360 PolarHBondContact O-N 2.84Å; F358-E361 PolarHBondContact O-N 2.99Å; F358-N362 PolarHBondContact O-N 3.21Å; F358-M363 HydrophobicContact CB-CB 4.11Å; F358-M363 HydrophobicContact CD1-CB 4.15Å; F358-M363 HydrophobicContact CD1-CE 3.73Å; F358-M363 HydrophobicContact CD1-SD 3.98Å; F358-M363 HydrophobicContact CE1-CE 3.86Å; F358-M363 HydrophobicContact CE1-SD 4.46Å; F358-M363 WeakPolarHBondContact O-CA 3.46Å; F358-M363 WeakPolarHBondContact O-CB 3.49Å; F358-M363 PolarHBondContact O-N 3.25Å; F358-V366 HydrophobicContact CD1-CG1 4.38Å; F358-V366 HydrophobicContact CD2-CG1 4.09Å; F358-V366 HydrophobicContact CE1-CG1 4.34Å; F358-V366 HydrophobicContact CE2-CG1 4.04Å; F358-V366 HydrophobicContact CG-CB 4.39Å; F358-V366 HydrophobicContact CG-CG1 4.27Å; F358-V366 HydrophobicContact CZ-CG1 4.17Å; F358-Y383 HydrophobicContact CE2-CE2 4.23Å; F358-Y383 HydrophobicContact CZ-CE2 4.31Å; F358-Y383 WeakPolarHBondContact CZ-OH 3.38Å |
| 359 | L | 89.1 | Confident | 88.7 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 38% | 0.382 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -33.4 | 175.1 | -69.4 | 171.7 | 0 | 0 | 0 | 113.3 | R355 R356 H357 N362 T364 | R355-L359 HydrophobicContact CG-CD1 4.36Å; R355-L359 WeakPolarHBondContact O-CG 3.27Å; R355-L359 PolarHBondContact O-N 2.95Å; R356-L359 PolarHBondContact O-N 3.32Å; H357-L359 VanDerWaalsContact C-N 3.29Å; H357-L359 PolarHBondContact O-N 2.82Å; L359-N362 PolarHBondContact O-N 3.22Å; L359-T364 HydrophobicContact CD2-CG2 4.22Å |
| 360 | D | 88.4 | Confident | 89.3 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -76 | -25.3 | 177.1 | -78.9 | -37.4 | 0 | 0 | 0 | 113.7 | Y308 R356 H357 F358 N362 | Y308-D360 WeakPolarHBondContact CE2-OD2 3.39Å; Y308-D360 PolarHBondContact OH-OD2 2.78Å; R356-D360 VanDerWaalsContact CZ-CG 3.42Å; R356-D360 IonicContact CZ-OD1 2.88Å; R356-D360 IonicContact CZ-OD2 3.93Å; R356-D360 VanDerWaalsContact CZ-OD2 3.27Å; R356-D360 IonicContact NE-OD2 2.78Å; R356-D360 IonicContact NH1-OD1 3.69Å; R356-D360 PolarHBondContact NH1-OD1 3.1Å; R356-D360 IonicContact NH1-OD2 2.63Å; R356-D360 PolarHBondContact NH1-OD2 3.49Å; R356-D360 IonicContact NH2-OD1 2.94Å; R356-D360 PolarHBondContact NH2-OD1 3.26Å; R356-D360 IonicContact NH2-OD2 2.68Å; R356-D360 PolarHBondContact NH2-OD2 3.09Å; R356-D360 PolarHBondContact O-N 3.42Å; H357-D360 PolarHBondContact O-N 3.41Å; H357-D360 VanDerWaalsContact O-N 3.12Å; F358-D360 PolarHBondContact O-N 2.84Å; D360-N362 VanDerWaalsContact C-N 3.27Å |
| 361 | E | 89 | Confident | 89.7 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.8 | 173.8 | -56.2 | -63.9 | 152.2 | 0 | 0 | 112.6 | L297 R311 H357 F358 M363 | L297-E361 HydrophobicContact CD1-CB 4.38Å; L297-E361 HydrophobicContact CD1-CG 4.28Å; L297-E361 HydrophobicContact CD2-CG 3.92Å; R311-E361 IonicContact CZ-OE1 2.7Å; R311-E361 IonicContact NH1-OE1 3.47Å; R311-E361 PolarHBondContact NH1-OE1 2.91Å; R311-E361 IonicContact NH2-OE1 2.78Å; R311-E361 PolarHBondContact NH2-OE1 3.03Å; H357-E361 WeakPolarHBondContact O-CG 3.21Å; H357-E361 PolarHBondContact O-N 2.68Å; F358-E361 PolarHBondContact O-N 2.99Å; E361-M363 HydrophobicContact CB-CG 4.05Å; E361-M363 HydrophobicContact CB-SD 4.04Å; E361-M363 PolarHBondContact O-N 3.17Å |
| 362 | N | 90.1 | Very high | 90 | Very high | 138 Ų | 138 | 37.2 Ų | 37.2 | 74% | 0.738 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 20.3 | -173.5 | -59.8 | -67.8 | 0 | 0 | 0 | 115.1 | F358 L359 D360 T364 | F358-N362 PolarHBondContact O-N 3.21Å; L359-N362 PolarHBondContact O-N 3.22Å; D360-N362 VanDerWaalsContact C-N 3.27Å; N362-T364 PolarHBondContact O-N 3.44Å |
| 363 | M | 91.2 | Very high | 90 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | trans | -82.5 | 56.6 | 179.7 | -65 | 176.3 | 58.7 | 0 | 0 | 111.6 | Y294 L297 F298 F358 E361 A365 V366 | Y294-M363 HydrophobicContact CE1-CE 4.25Å; Y294-M363 HydrophobicContact CE2-CE 3.71Å; Y294-M363 HydrophobicContact CE2-SD 4.08Å; Y294-M363 WeakPolarHBondContact OH-CE 3.42Å; L297-M363 HydrophobicContact CB-SD 4.46Å; L297-M363 HydrophobicContact CD1-SD 3.54Å; L297-M363 VanDerWaalsContact CD1-SD 3.54Å; F298-M363 HydrophobicContact CD2-CE 4.36Å; F298-M363 HydrophobicContact CE2-CE 3.53Å; F298-M363 HydrophobicContact CZ-CE 3.83Å; F358-M363 HydrophobicContact CB-CB 4.11Å; F358-M363 HydrophobicContact CD1-CB 4.15Å; F358-M363 HydrophobicContact CD1-CE 3.73Å; F358-M363 HydrophobicContact CD1-SD 3.98Å; F358-M363 HydrophobicContact CE1-CE 3.86Å; F358-M363 HydrophobicContact CE1-SD 4.46Å; F358-M363 WeakPolarHBondContact O-CA 3.46Å; F358-M363 WeakPolarHBondContact O-CB 3.49Å; F358-M363 PolarHBondContact O-N 3.25Å; E361-M363 HydrophobicContact CB-CG 4.05Å; E361-M363 HydrophobicContact CB-SD 4.04Å; E361-M363 PolarHBondContact O-N 3.17Å; M363-A365 PolarHBondContact O-N 3.29Å; M363-V366 HydrophobicContact CB-CG2 4.14Å; M363-V366 HydrophobicContact CE-CG2 3.88Å; M363-V366 PolarHBondContact O-N 3.1Å | ||
| 364 | T | 87.1 | Confident | 89.8 | Confident | 113 Ų | 113 | 39.8 Ų | 39.8 | 69% | 0.693 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -8.7 | -175.1 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | L359 N362 | L359-T364 HydrophobicContact CD2-CG2 4.22Å; N362-T364 PolarHBondContact O-N 3.44Å |
| 365 | A | 89.9 | Confident | 89.2 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | M363 H388 D389 | M363-A365 PolarHBondContact O-N 3.29Å; A365-H388 HydrophobicContact CB-CB 4.41Å; A365-H388 PolarHBondContact O-CD2 3.41Å; A365-H388 PolarHBondContact O-N 2.86Å; A365-H388 VanDerWaalsContact O-N 3.14Å; A365-D389 VanDerWaalsContact CB-CG 3.5Å; A365-D389 WeakPolarHBondContact CB-OD1 3.09Å; A365-D389 WeakPolarHBondContact CB-OD2 3Å |
| 366 | V | 92.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.4 | 178 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | F298 F358 M363 A385 V386 D387 | F298-V366 HydrophobicContact CE1-CG1 3.89Å; F298-V366 HydrophobicContact CZ-CG1 4.21Å; F298-V366 HydrophobicContact CZ-CG2 4.1Å; F358-V366 HydrophobicContact CD1-CG1 4.38Å; F358-V366 HydrophobicContact CD2-CG1 4.09Å; F358-V366 HydrophobicContact CE1-CG1 4.34Å; F358-V366 HydrophobicContact CE2-CG1 4.04Å; F358-V366 HydrophobicContact CG-CB 4.39Å; F358-V366 HydrophobicContact CG-CG1 4.27Å; F358-V366 HydrophobicContact CZ-CG1 4.17Å; M363-V366 HydrophobicContact CB-CG2 4.14Å; M363-V366 HydrophobicContact CE-CG2 3.88Å; M363-V366 PolarHBondContact O-N 3.1Å; V366-A385 HydrophobicContact CG1-CB 3.92Å; V366-V386 WeakPolarHBondContact CA-O 3.3Å; V366-D387 HydrophobicContact CG2-CB 4.44Å |
| 367 | D | 90.4 | Very high | 88.1 | Confident | 66 Ų | 66 | 35.9 Ų | 35.9 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.1 | 177.4 | -91.4 | -36.2 | 0 | 0 | 0 | 111 | A385 V386 H388 | D367-A385 CarbonylContact O-C 3.57Å; D367-A385 VanDerWaalsContact O-CA 3.28Å; D367-A385 WeakPolarHBondContact O-CA 3.36Å; D367-V386 PolarHBondContact N-O 3.33Å; D367-V386 PolarHBondContact O-N 2.93Å; D367-H388 IonicContact OD2-NE2 3.82Å |
| 368 | I | 91.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131 | 171.7 | -53.9 | 167.6 | 0 | 0 | 0 | 108.3 | V339 I354 R355 T371 | V339-I368 HydrophobicContact CG1-CG2 4.36Å; V339-I368 VanDerWaalsContact CG2-O 3.26Å; V339-I368 WeakPolarHBondContact CG2-O 3.43Å; I354-I368 HydrophobicContact CB-CD1 4.11Å; I354-I368 HydrophobicContact CG2-CD1 3.6Å; I354-I368 HydrophobicContact CG2-CG1 4.25Å; R355-I368 HydrophobicContact CB-CD1 3.87Å; I368-T371 WeakPolarHBondContact CG2-OG1 3.08Å |
| 369 | V | 90.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -40.7 | 178.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | V339 T340 V384 V386 Q451 A452 R455 | V339-V369 WeakPolarHBondContact CA-O 3.16Å; T340-V369 PolarHBondContact N-O 3.48Å; V369-V384 PolarHBondContact N-O 3.35Å; V369-V386 HydrophobicContact CG2-CG2 3.72Å; V369-Q451 HydrophobicContact CG1-CB 4.06Å; V369-A452 HydrophobicContact CG1-CB 4.43Å; V369-A452 HydrophobicContact CG2-CB 4.38Å; V369-R455 HydrophobicContact CG2-CG 4.15Å |
| 370 | Y | 92.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146 | -176 | -171.2 | -96.9 | 0 | 0 | 0 | 111.1 | T340 E342 F382 Y383 V384 E446 V448 | T340-Y370 HydrophobicContact CG2-CD2 3.9Å; T340-Y370 HydrophobicContact CG2-CE2 3.78Å; T340-Y370 CarbonylContact O-C 3.45Å; T340-Y370 WeakPolarHBondContact O-CA 3.45Å; E342-Y370 PolarHBondContact OE2-OH 3.48Å; Y370-F382 HydrophobicContact CD1-CD2 4.48Å; Y370-F382 AromaticContact CD1-CE2 3.8Å; Y370-F382 HydrophobicContact CD1-CE2 3.8Å; Y370-F382 HydrophobicContact CD1-CZ 4.1Å; Y370-F382 HydrophobicContact CE1-CE1 4.28Å; Y370-F382 AromaticContact CE1-CE2 3.77Å; Y370-F382 HydrophobicContact CE1-CE2 3.77Å; Y370-F382 AromaticContact CE1-CZ 3.57Å; Y370-F382 HydrophobicContact CE1-CZ 3.57Å; Y370-Y383 CarbonylContact O-C 3.5Å; Y370-Y383 VanDerWaalsContact O-CA 3.29Å; Y370-Y383 WeakPolarHBondContact O-CA 3.25Å; Y370-Y383 VanDerWaalsContact O-CB 3.26Å; Y370-Y383 WeakPolarHBondContact O-CB 3.34Å; Y370-V384 PolarHBondContact N-O 3.47Å; Y370-V384 VanDerWaalsContact N-O 3.14Å; Y370-V384 PolarHBondContact O-N 3.06Å; Y370-E446 WeakPolarHBondContact CE2-OE2 3.27Å; Y370-E446 PolarHBondContact OH-OE2 2.88Å; Y370-V448 HydrophobicContact CD1-CG1 4.31Å; Y370-V448 HydrophobicContact CD2-CG1 4.11Å; Y370-V448 HydrophobicContact CD2-CG2 3.81Å; Y370-V448 HydrophobicContact CE2-CG2 3.95Å; Y370-V448 HydrophobicContact CG-CG1 3.73Å; Y370-V448 HydrophobicContact CG-CG2 4.11Å |
| 371 | T | 92.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 116.4 | 170.4 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | T340 I341 E342 I354 I368 | T340-T371 PolarHBondContact O-N 3.24Å; I341-T371 CarbonylContact C-O 3.6Å; I341-T371 WeakPolarHBondContact CA-O 3.25Å; E342-T371 PolarHBondContact N-O 2.85Å; I354-T371 HydrophobicContact CD1-CG2 3.93Å; I368-T371 WeakPolarHBondContact CG2-OG1 3.08Å |
| 372 | S | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.2 | 167 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | E342 H374 F382 | E342-S372 VanDerWaalsContact OE2-CB 3.31Å; E342-S372 WeakPolarHBondContact OE2-CB 3.27Å; E342-S372 PolarHBondContact OE2-OG 3.3Å; S372-H374 PolarHBondContact OG-N 3.16Å; S372-F382 PolarHBondContact N-O 3.29Å; S372-F382 PolarHBondContact O-N 3.32Å |
| 373 | C | 84.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 27.2 Ų | 27.2 | 17% | 0.169 | 15% | 0.15 | C | C | . | . | trans | -97.5 | 7.6 | 173.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E342 D344 D375 | E342-C373 PolarHBondContact O-N 2.03Å; D344-C373 HydrophobicContact CB-CB 4.4Å; C373-D375 PolarHBondContact O-N 3.35Å | ||
| 374 | H | 83.8 | Confident | 88.6 | Confident | 41 Ų | 41 | 26.5 Ų | 26.5 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | trans | -62.1 | 132.4 | 177.1 | -170.6 | 80.7 | 0 | 0 | 0 | 110.9 | E343 S372 A376 E379 P381 | E343-H374 VanDerWaalsContact CD-ND1 3.33Å; E343-H374 IonicContact OE1-ND1 2.7Å; E343-H374 IonicContact OE2-CE1 2.73Å; E343-H374 IonicContact OE2-CG 2.75Å; E343-H374 IonicContact OE2-ND1 2.72Å; E343-H374 PolarHBondContact OE2-ND1 2.99Å; S372-H374 PolarHBondContact OG-N 3.16Å; H374-A376 WeakPolarHBondContact NE2-CB 3.46Å; H374-E379 IonicContact CD2-OE2 3.44Å; H374-E379 PolarHBondContact CD2-OE2 2.98Å; H374-E379 VanDerWaalsContact CD2-OE2 3.27Å; H374-E379 IonicContact NE2-OE2 2.71Å; H374-E379 PolarHBondContact NE2-OE2 2.99Å; H374-P381 WeakPolarHBondContact O-CD 3.43Å; H374-P381 WeakPolarHBondContact O-CG 3.4Å | ||
| 375 | D | 79.3 | Confident | 89 | Confident | 35 Ų | 35 | 21.1 Ų | 21.1 | 19% | 0.187 | 11% | 0.113 | C | C | . | . | trans | -133.2 | 98.4 | -169.8 | -175 | -51.3 | 0 | 0 | 0 | 107.6 | C373 P381 R398 S402 K404 | C373-D375 PolarHBondContact O-N 3.35Å; D375-P381 HydrophobicContact CB-CG 4.25Å; D375-R398 IonicContact OD2-CZ 3.76Å; D375-R398 IonicContact OD2-NH1 2.67Å; D375-R398 PolarHBondContact OD2-NH1 3.37Å; D375-R398 IonicContact OD2-NH2 3.37Å; D375-R398 PolarHBondContact OD2-NH2 3.03Å; D375-S402 WeakPolarHBondContact OD1-CB 3.43Å; D375-S402 PolarHBondContact OD1-OG 3.35Å; D375-S402 VanDerWaalsContact OD2-CB 3.26Å; D375-S402 WeakPolarHBondContact OD2-CB 3.5Å; D375-S402 PolarHBondContact OD2-OG 3.46Å; D375-K404 WeakPolarHBondContact O-CD 3.37Å; D375-K404 WeakPolarHBondContact O-CE 3.49Å; D375-K404 PolarHBondContact O-NZ 3.35Å | ||
| 376 | A | 77.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 20.3 Ų | 20.3 | 15% | 0.149 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 171.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H374 Y378 E379 | H374-A376 WeakPolarHBondContact NE2-CB 3.46Å; A376-Y378 PolarHBondContact O-N 3.29Å; A376-E379 HydrophobicContact CB-CB 3.91Å; A376-E379 HydrophobicContact CB-CG 4.14Å; A376-E379 PolarHBondContact N-O 2.94Å; A376-E379 VanDerWaalsContact N-O 3.14Å; A376-E379 CarbonylContact O-C 3.58Å; A376-E379 PolarHBondContact O-N 3.49Å |
| 377 | V | 75.7 | Confident | 89.4 | Confident | 48 Ų | 48 | 19.6 Ų | 19.6 | 29% | 0.291 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 125.3 | 178.9 | -170 | 0 | 0 | 0 | 0 | 107.7 | E379 K404 L407 | V377-E379 PolarHBondContact O-N 3.43Å; V377-K404 HydrophobicContact CG2-CB 4.09Å; V377-K404 HydrophobicContact CG2-CG 4.49Å; V377-L407 HydrophobicContact CG1-CD2 4.18Å; V377-L407 HydrophobicContact CG1-CG 4.28Å; V377-L407 HydrophobicContact CG2-CD2 4.05Å |
| 378 | Y | 83.9 | Confident | 89.6 | Confident | 76 Ų | 76 | 17.1 Ų | 17.1 | 30% | 0.298 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 10.2 | -168.3 | -35.7 | -62.4 | 0 | 0 | 0 | 116.2 | A376 T408 T411 L434 S435 | A376-Y378 PolarHBondContact O-N 3.29Å; Y378-T408 HydrophobicContact CD1-CG2 4Å; Y378-T408 PolarHBondContact N-OG1 3.43Å; Y378-T408 VanDerWaalsContact N-OG1 3.12Å; Y378-T411 HydrophobicContact CE1-CG2 4Å; Y378-L434 HydrophobicContact CD1-CB 4.11Å; Y378-L434 HydrophobicContact CD1-CD1 3.81Å; Y378-L434 HydrophobicContact CD2-CD1 4.06Å; Y378-L434 HydrophobicContact CE1-CD1 3.92Å; Y378-L434 HydrophobicContact CE2-CD1 4.15Å; Y378-L434 HydrophobicContact CG-CB 3.99Å; Y378-L434 HydrophobicContact CG-CD1 3.89Å; Y378-S435 WeakPolarHBondContact O-CA 3.37Å |
| 379 | E | 86.8 | Confident | 89.7 | Confident | 64 Ų | 64 | 22 Ų | 22 | 30% | 0.299 | 12% | 0.115 | S | C | . | . | B | Isolated β-bridge | trans | -122.5 | 83.7 | 176.1 | -55.9 | -169 | -148 | 0 | 0 | 109.3 | H374 A376 V377 Y438 | H374-E379 IonicContact CD2-OE2 3.44Å; H374-E379 PolarHBondContact CD2-OE2 2.98Å; H374-E379 VanDerWaalsContact CD2-OE2 3.27Å; H374-E379 IonicContact NE2-OE2 2.71Å; H374-E379 PolarHBondContact NE2-OE2 2.99Å; A376-E379 HydrophobicContact CB-CB 3.91Å; A376-E379 HydrophobicContact CB-CG 4.14Å; A376-E379 PolarHBondContact N-O 2.94Å; A376-E379 VanDerWaalsContact N-O 3.14Å; A376-E379 CarbonylContact O-C 3.58Å; A376-E379 PolarHBondContact O-N 3.49Å; V377-E379 PolarHBondContact O-N 3.43Å; E379-Y438 HydrophobicContact CB-CD1 4.1Å; E379-Y438 HydrophobicContact CB-CD2 4.36Å; E379-Y438 HydrophobicContact CB-CE1 3.77Å; E379-Y438 HydrophobicContact CB-CE2 4.03Å; E379-Y438 HydrophobicContact CB-CG 4.36Å; E379-Y438 HydrophobicContact CG-CD1 4.32Å; E379-Y438 HydrophobicContact CG-CD2 3.73Å; E379-Y438 HydrophobicContact CG-CE1 4.2Å; E379-Y438 HydrophobicContact CG-CE2 3.56Å; E379-Y438 HydrophobicContact CG-CG 4.08Å; E379-Y438 WeakPolarHBondContact OE2-CE2 3.46Å; E379-Y438 PolarHBondContact OE2-OH 3.38Å |
| 380 | T | 88.3 | Confident | 89.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | trans | -82 | 131.8 | -176.1 | -43.2 | 0 | 0 | 0 | 0 | 112.1 | I397 R398 S435 L473 | T380-I397 HydrophobicContact CG2-CG2 3.91Å; T380-R398 VanDerWaalsContact CG2-O 3.23Å; T380-R398 WeakPolarHBondContact CG2-O 3.31Å; T380-S435 PolarHBondContact OG1-OG 3.03Å; T380-L473 HydrophobicContact CG2-CD2 4.21Å; T380-L473 HydrophobicContact CG2-CG 4.46Å | ||
| 381 | P | 92.8 | Very high | 90 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | trans | -56.2 | 142.3 | 173 | -26.2 | 32.2 | 0 | 0 | 0 | 113.9 | H374 D375 R398 | H374-P381 WeakPolarHBondContact O-CD 3.43Å; H374-P381 WeakPolarHBondContact O-CG 3.4Å; D375-P381 HydrophobicContact CB-CG 4.25Å; P381-R398 HydrophobicContact CB-CB 4.11Å; P381-R398 WeakPolarHBondContact O-CB 3.36Å; P381-R398 PolarHBondContact O-N 2.86Å | ||
| 382 | F | 96.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 160.9 | 177.9 | 74.1 | -81.9 | 0 | 0 | 0 | 112.2 | Y370 S372 V384 I395 S396 I397 I439 K442 L443 | Y370-F382 HydrophobicContact CD1-CD2 4.48Å; Y370-F382 AromaticContact CD1-CE2 3.8Å; Y370-F382 HydrophobicContact CD1-CE2 3.8Å; Y370-F382 HydrophobicContact CD1-CZ 4.1Å; Y370-F382 HydrophobicContact CE1-CE1 4.28Å; Y370-F382 AromaticContact CE1-CE2 3.77Å; Y370-F382 HydrophobicContact CE1-CE2 3.77Å; Y370-F382 AromaticContact CE1-CZ 3.57Å; Y370-F382 HydrophobicContact CE1-CZ 3.57Å; S372-F382 PolarHBondContact N-O 3.29Å; S372-F382 PolarHBondContact O-N 3.32Å; F382-V384 HydrophobicContact CD2-CG2 4.28Å; F382-V384 HydrophobicContact CE2-CG2 4.15Å; F382-I395 HydrophobicContact CD2-CG2 4.39Å; F382-S396 CarbonylContact C-O 3.56Å; F382-S396 VanDerWaalsContact CA-O 3.31Å; F382-S396 WeakPolarHBondContact CA-O 3.44Å; F382-S396 WeakPolarHBondContact CB-O 3.21Å; F382-I397 HydrophobicContact CB-CB 4.47Å; F382-I397 HydrophobicContact CB-CG1 4.26Å; F382-I397 HydrophobicContact CB-CG2 4.49Å; F382-I439 HydrophobicContact CB-CD1 4.32Å; F382-I439 HydrophobicContact CD1-CB 4.49Å; F382-I439 HydrophobicContact CD1-CD1 4.08Å; F382-I439 HydrophobicContact CD1-CG1 3.74Å; F382-I439 HydrophobicContact CD1-CG2 4.14Å; F382-I439 HydrophobicContact CD2-CG2 4.15Å; F382-I439 HydrophobicContact CE1-CB 4.42Å; F382-I439 HydrophobicContact CE1-CG1 3.99Å; F382-I439 HydrophobicContact CE1-CG2 4.1Å; F382-I439 HydrophobicContact CE2-CG2 4.12Å; F382-I439 HydrophobicContact CG-CD1 4.32Å; F382-I439 HydrophobicContact CG-CG1 4.34Å; F382-I439 HydrophobicContact CG-CG2 4.16Å; F382-I439 HydrophobicContact CZ-CG2 4.09Å; F382-K442 HydrophobicContact CE1-CB 4.29Å; F382-K442 HydrophobicContact CZ-CB 4.06Å; F382-L443 HydrophobicContact CE2-CD2 3.8Å; F382-L443 HydrophobicContact CE2-CG 4.26Å; F382-L443 HydrophobicContact CZ-CD2 4.41Å |
| 383 | Y | 96.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 159 | 172 | 76.8 | -92.7 | 0 | 0 | 0 | 111.4 | F298 A301 A302 I354 F358 Y370 A385 S396 | F298-Y383 WeakPolarHBondContact CA-OH 3.49Å; F298-Y383 WeakPolarHBondContact CB-OH 3.49Å; F298-Y383 HydrophobicContact CD1-CE2 4.45Å; F298-Y383 PolarHBondContact O-OH 3.48Å; A301-Y383 HydrophobicContact CB-CE1 4.48Å; A302-Y383 HydrophobicContact CB-CD1 4.17Å; A302-Y383 HydrophobicContact CB-CE1 3.8Å; I354-Y383 HydrophobicContact CD1-CD1 3.99Å; I354-Y383 HydrophobicContact CD1-CG 4.27Å; I354-Y383 HydrophobicContact CG2-CD1 4.44Å; I354-Y383 HydrophobicContact CG2-CD2 4.26Å; I354-Y383 HydrophobicContact CG2-CE1 4.23Å; I354-Y383 HydrophobicContact CG2-CE2 4.06Å; I354-Y383 HydrophobicContact CG2-CG 4.46Å; F358-Y383 HydrophobicContact CE2-CE2 4.23Å; F358-Y383 HydrophobicContact CZ-CE2 4.31Å; F358-Y383 WeakPolarHBondContact CZ-OH 3.38Å; Y370-Y383 CarbonylContact O-C 3.5Å; Y370-Y383 VanDerWaalsContact O-CA 3.29Å; Y370-Y383 WeakPolarHBondContact O-CA 3.25Å; Y370-Y383 VanDerWaalsContact O-CB 3.26Å; Y370-Y383 WeakPolarHBondContact O-CB 3.34Å; Y383-A385 HydrophobicContact CD2-CB 4.26Å; Y383-A385 HydrophobicContact CE2-CB 4.02Å; Y383-S396 WeakPolarHBondContact CE1-OG 3.41Å; Y383-S396 VanDerWaalsContact CZ-CB 3.4Å; Y383-S396 PolarHBondContact N-O 3.3Å; Y383-S396 PolarHBondContact O-N 2.96Å |
| 384 | V | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.2 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | V369 Y370 F382 V393 V394 I395 L443 V448 A452 | V369-V384 PolarHBondContact N-O 3.35Å; Y370-V384 PolarHBondContact N-O 3.47Å; Y370-V384 VanDerWaalsContact N-O 3.14Å; Y370-V384 PolarHBondContact O-N 3.06Å; F382-V384 HydrophobicContact CD2-CG2 4.28Å; F382-V384 HydrophobicContact CE2-CG2 4.15Å; V384-V393 HydrophobicContact CG1-CG1 3.73Å; V384-V394 WeakPolarHBondContact CA-O 3.21Å; V384-I395 HydrophobicContact CG2-CG1 4.26Å; V384-L443 HydrophobicContact CG2-CD2 3.81Å; V384-V448 HydrophobicContact CB-CG1 4.05Å; V384-V448 HydrophobicContact CG1-CG1 4.45Å; V384-V448 HydrophobicContact CG2-CG1 3.76Å; V384-A452 HydrophobicContact CG1-CB 4.18Å |
| 385 | A | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F298 V366 D367 Y383 V394 | F298-A385 HydrophobicContact CE1-CB 4.4Å; V366-A385 HydrophobicContact CG1-CB 3.92Å; D367-A385 CarbonylContact O-C 3.57Å; D367-A385 VanDerWaalsContact O-CA 3.28Å; D367-A385 WeakPolarHBondContact O-CA 3.36Å; Y383-A385 HydrophobicContact CD2-CB 4.26Å; Y383-A385 HydrophobicContact CE2-CB 4.02Å; A385-V394 PolarHBondContact N-O 3.34Å; A385-V394 PolarHBondContact O-N 3.49Å |
| 386 | V | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.9 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | V366 D367 V369 V393 A452 R455 T461 Y464 | V366-V386 WeakPolarHBondContact CA-O 3.3Å; D367-V386 PolarHBondContact N-O 3.33Å; D367-V386 PolarHBondContact O-N 2.93Å; V369-V386 HydrophobicContact CG2-CG2 3.72Å; V386-V393 HydrophobicContact CG2-CG2 4.4Å; V386-A452 HydrophobicContact CG2-CB 4Å; V386-R455 HydrophobicContact CG2-CB 4.24Å; V386-T461 HydrophobicContact CG1-CG2 4.03Å; V386-Y464 HydrophobicContact CG1-CD2 3.94Å; V386-Y464 HydrophobicContact CG1-CE2 3.75Å |
| 387 | D | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107 | 175.8 | 174.1 | -12.3 | 0 | 0 | 0 | 108.6 | Y294 F298 V366 D389 K390 K391 K392 V394 | Y294-D387 WeakPolarHBondContact CE1-OD2 3.25Å; Y294-D387 PolarHBondContact OH-OD2 3.07Å; F298-D387 HydrophobicContact CZ-CB 4.36Å; V366-D387 HydrophobicContact CG2-CB 4.44Å; D387-D389 PolarHBondContact OD1-N 3.19Å; D387-K390 PolarHBondContact OD1-N 2.92Å; D387-K390 VanDerWaalsContact OD2-CB 3.26Å; D387-K390 WeakPolarHBondContact OD2-CB 3.33Å; D387-K390 WeakPolarHBondContact OD2-CG 3.42Å; D387-K391 CarbonylContact O-C 3.6Å; D387-K391 VanDerWaalsContact O-CA 3.24Å; D387-K391 WeakPolarHBondContact O-CA 3.45Å; D387-K391 PolarHBondContact O-N 3.38Å; D387-K392 HydrophobicContact CB-CB 4.43Å; D387-K392 PolarHBondContact N-O 2.93Å; D387-K392 PolarHBondContact O-N 3.43Å; D387-V394 HydrophobicContact CB-CG2 4.47Å |
| 388 | H | 94.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.069 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23.4 | -178.6 | -68.9 | -71.9 | 0 | 0 | 0 | 113.7 | A365 D367 R459 Y464 | A365-H388 HydrophobicContact CB-CB 4.41Å; A365-H388 PolarHBondContact O-CD2 3.41Å; A365-H388 PolarHBondContact O-N 2.86Å; A365-H388 VanDerWaalsContact O-N 3.14Å; D367-H388 IonicContact OD2-NE2 3.82Å; H388-R459 PolarHBondContact CD2-NH1 3Å; H388-R459 VanDerWaalsContact CG-NH1 3.33Å; H388-R459 WeakPolarHBondContact ND1-CD 3.37Å; H388-Y464 AromaticContact ND1-CE2 3.61Å; H388-Y464 AromaticContact ND1-CZ 3.68Å; H388-Y464 PolarHBondContact ND1-OH 2.8Å |
| 389 | D | 93.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 24.9 Ų | 24.9 | 62% | 0.62 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -42.1 | -178.3 | -71.5 | -18.3 | 0 | 0 | 0 | 111.3 | A365 D387 | A365-D389 VanDerWaalsContact CB-CG 3.5Å; A365-D389 WeakPolarHBondContact CB-OD1 3.09Å; A365-D389 WeakPolarHBondContact CB-OD2 3Å; D387-D389 PolarHBondContact OD1-N 3.19Å |
| 390 | K | 93.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 23.9 Ų | 23.9 | 43% | 0.43 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.8 | 173.1 | -53.4 | -59.8 | -178.5 | -177.4 | 0 | 113.3 | Y294 D387 K392 | Y294-K390 HydrophobicContact CD1-CG 4.37Å; Y294-K390 HydrophobicContact CE1-CD 4.23Å; Y294-K390 VanDerWaalsContact CE1-CE 3.5Å; Y294-K390 HydrophobicContact CE1-CG 3.61Å; D387-K390 PolarHBondContact OD1-N 2.92Å; D387-K390 VanDerWaalsContact OD2-CB 3.26Å; D387-K390 WeakPolarHBondContact OD2-CB 3.33Å; D387-K390 WeakPolarHBondContact OD2-CG 3.42Å; K390-K392 HydrophobicContact CB-CG 3.87Å; K390-K392 WeakPolarHBondContact O-CE 3.41Å |
| 391 | K | 95.3 | Very high | 94.2 | Very high | 130 Ų | 130 | 27 Ų | 27 | 57% | 0.565 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 58.3 | -173 | -58.2 | -175.3 | -176.5 | -176.9 | 0 | 111.3 | D387 Y464 G465 | D387-K391 CarbonylContact O-C 3.6Å; D387-K391 VanDerWaalsContact O-CA 3.24Å; D387-K391 WeakPolarHBondContact O-CA 3.45Å; D387-K391 PolarHBondContact O-N 3.38Å; K391-Y464 VanDerWaalsContact C-CD2 3.42Å; K391-Y464 HydrophobicContact CB-CD1 3.67Å; K391-Y464 HydrophobicContact CB-CD2 4.34Å; K391-Y464 HydrophobicContact CB-CE1 3.74Å; K391-Y464 HydrophobicContact CB-CE2 4.38Å; K391-Y464 HydrophobicContact CB-CG 4.01Å; K391-Y464 HydrophobicContact CD-CE1 4.26Å; K391-Y464 HydrophobicContact CG-CD1 4.31Å; K391-Y464 HydrophobicContact CG-CE1 3.86Å; K391-Y464 VanDerWaalsContact O-CA 3.31Å; K391-Y464 WeakPolarHBondContact O-CA 3.37Å; K391-Y464 VanDerWaalsContact O-CB 3.32Å; K391-Y464 WeakPolarHBondContact O-CB 3.13Å; K391-G465 PolarHBondContact O-N 3.25Å |
| 392 | K | 96.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 27.4 Ų | 27.4 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.6 | -179.3 | -57.4 | -60.6 | 164.1 | -163.6 | 0 | 112.8 | D387 K390 V394 G465 I467 | D387-K392 HydrophobicContact CB-CB 4.43Å; D387-K392 PolarHBondContact N-O 2.93Å; D387-K392 PolarHBondContact O-N 3.43Å; K390-K392 HydrophobicContact CB-CG 3.87Å; K390-K392 WeakPolarHBondContact O-CE 3.41Å; K392-V394 HydrophobicContact CB-CG2 4.19Å; K392-G465 CarbonylContact C-O 3.5Å; K392-G465 WeakPolarHBondContact CA-O 3.46Å; K392-G465 WeakPolarHBondContact CD-O 3.47Å; K392-I467 HydrophobicContact CB-CG1 3.98Å; K392-I467 HydrophobicContact CD-CD1 4.11Å; K392-I467 HydrophobicContact CD-CG1 3.92Å; K392-I467 HydrophobicContact CG-CD1 4.44Å; K392-I467 HydrophobicContact CG-CG1 3.84Å |
| 393 | V | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.2 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | V384 V386 L449 A452 F453 G465 L466 I467 | V384-V393 HydrophobicContact CG1-CG1 3.73Å; V386-V393 HydrophobicContact CG2-CG2 4.4Å; V393-L449 HydrophobicContact CG1-CD2 4.37Å; V393-A452 HydrophobicContact CG1-CB 3.74Å; V393-A452 HydrophobicContact CG2-CB 4.1Å; V393-F453 HydrophobicContact CB-CE1 4Å; V393-F453 HydrophobicContact CB-CZ 4.16Å; V393-F453 HydrophobicContact CG2-CD1 3.55Å; V393-F453 HydrophobicContact CG2-CE1 3.39Å; V393-F453 HydrophobicContact CG2-CG 4.23Å; V393-F453 HydrophobicContact CG2-CZ 3.96Å; V393-G465 PolarHBondContact N-O 3.38Å; V393-L466 HydrophobicContact CB-CD1 4.02Å; V393-L466 HydrophobicContact CG1-CD1 3.97Å; V393-I467 PolarHBondContact O-N 2.95Å |
| 394 | V | 98.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.4 | -176.7 | -171.9 | 0 | 0 | 0 | 0 | 109 | Y295 F298 V384 A385 D387 K392 I467 V469 | Y295-V394 HydrophobicContact CE1-CG2 4.21Å; F298-V394 HydrophobicContact CB-CG1 4.29Å; F298-V394 HydrophobicContact CD1-CB 3.98Å; F298-V394 HydrophobicContact CD1-CG1 3.66Å; F298-V394 HydrophobicContact CD1-CG2 4.28Å; F298-V394 HydrophobicContact CE1-CB 3.97Å; F298-V394 HydrophobicContact CE1-CG1 4.13Å; F298-V394 HydrophobicContact CE1-CG2 3.87Å; F298-V394 HydrophobicContact CG-CG1 4.02Å; F298-V394 HydrophobicContact CZ-CG2 4.14Å; V384-V394 WeakPolarHBondContact CA-O 3.21Å; A385-V394 PolarHBondContact N-O 3.34Å; A385-V394 PolarHBondContact O-N 3.49Å; D387-V394 HydrophobicContact CB-CG2 4.47Å; K392-V394 HydrophobicContact CB-CG2 4.19Å; V394-I467 WeakPolarHBondContact CA-O 3.29Å; V394-I467 HydrophobicContact CG1-CB 4.4Å; V394-I467 HydrophobicContact CG1-CG2 4.32Å; V394-I467 HydrophobicContact CG2-CB 4.25Å; V394-V469 HydrophobicContact CG1-CG1 3.63Å |
| 395 | I | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.6 | 167.2 | -55.6 | 162.5 | 0 | 0 | 0 | 106.9 | F382 V384 I397 L443 L449 L466 I467 V468 V469 L481 L485 | F382-I395 HydrophobicContact CD2-CG2 4.39Å; V384-I395 HydrophobicContact CG2-CG1 4.26Å; I395-I397 HydrophobicContact CG2-CG1 4.35Å; I395-L443 HydrophobicContact CD1-CD1 3.81Å; I395-L443 HydrophobicContact CG1-CD1 4.5Å; I395-L449 HydrophobicContact CD1-CD2 4.03Å; I395-L449 HydrophobicContact CG1-CD2 4.14Å; I395-L466 HydrophobicContact CD1-CD1 3.96Å; I395-L466 HydrophobicContact CD1-CD2 4.43Å; I395-L466 HydrophobicContact CD1-CG 4.49Å; I395-L466 HydrophobicContact CG1-CD1 4.12Å; I395-I467 PolarHBondContact N-O 3.27Å; I395-V468 HydrophobicContact CB-CG1 4.31Å; I395-V468 HydrophobicContact CD1-CG2 4.35Å; I395-V468 HydrophobicContact CG2-CG1 4.47Å; I395-V468 CarbonylContact O-C 2.92Å; I395-V468 WeakPolarHBondContact O-CA 3.48Å; I395-V469 WeakPolarHBondContact O-CG1 3.47Å; I395-V469 PolarHBondContact O-N 2.92Å; I395-L481 HydrophobicContact CD1-CD2 4.49Å; I395-L481 HydrophobicContact CG2-CD2 4.21Å; I395-L485 HydrophobicContact CD1-CD1 3.7Å |
| 396 | S | 98.1 | Very high | 87 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.5 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | F298 F382 Y383 V469 | F298-S396 PolarHBondContact O-OG 3.23Å; F382-S396 CarbonylContact C-O 3.56Å; F382-S396 VanDerWaalsContact CA-O 3.31Å; F382-S396 WeakPolarHBondContact CA-O 3.44Å; F382-S396 WeakPolarHBondContact CB-O 3.21Å; Y383-S396 WeakPolarHBondContact CE1-OG 3.41Å; Y383-S396 VanDerWaalsContact CZ-CB 3.4Å; Y383-S396 PolarHBondContact N-O 3.3Å; Y383-S396 PolarHBondContact O-N 2.96Å; S396-V469 WeakPolarHBondContact CA-O 3.38Å |
| 397 | I | 97.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.7 | -172.1 | -48.6 | 178.8 | 0 | 0 | 0 | 109.6 | T380 F382 I395 I439 V468 V469 T477 A478 L481 | T380-I397 HydrophobicContact CG2-CG2 3.91Å; F382-I397 HydrophobicContact CB-CB 4.47Å; F382-I397 HydrophobicContact CB-CG1 4.26Å; F382-I397 HydrophobicContact CB-CG2 4.49Å; I395-I397 HydrophobicContact CG2-CG1 4.35Å; I397-I439 HydrophobicContact CD1-CD1 3.82Å; I397-I439 HydrophobicContact CG1-CD1 4.12Å; I397-I439 HydrophobicContact CG2-CD1 3.78Å; I397-V468 HydrophobicContact CD1-CG1 4.3Å; I397-V469 PolarHBondContact N-O 2.85Å; I397-T477 HydrophobicContact CD1-CG2 3.99Å; I397-T477 HydrophobicContact CG2-CG2 4.36Å; I397-A478 HydrophobicContact CD1-CB 4.03Å; I397-L481 HydrophobicContact CD1-CD2 3.93Å |
| 398 | R | 95.4 | Very high | 84.1 | Confident | 25 Ų | 25 | 33 Ų | 33 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | trans | -67.5 | 146.3 | 177.6 | -157.8 | -173.6 | 77.1 | -167.2 | -4.7 | 110.2 | A302 Y303 D375 T380 P381 D405 G474 | A302-R398 HydrophobicContact CB-CB 4.37Å; A302-R398 WeakPolarHBondContact O-CG 3.34Å; Y303-R398 HydrophobicContact CD1-CG 3.89Å; Y303-R398 HydrophobicContact CE1-CG 4.24Å; Y303-R398 HydrophobicContact CG-CG 4.17Å; D375-R398 IonicContact OD2-CZ 3.76Å; D375-R398 IonicContact OD2-NH1 2.67Å; D375-R398 PolarHBondContact OD2-NH1 3.37Å; D375-R398 IonicContact OD2-NH2 3.37Å; D375-R398 PolarHBondContact OD2-NH2 3.03Å; T380-R398 VanDerWaalsContact CG2-O 3.23Å; T380-R398 WeakPolarHBondContact CG2-O 3.31Å; P381-R398 HydrophobicContact CB-CB 4.11Å; P381-R398 WeakPolarHBondContact O-CB 3.36Å; P381-R398 PolarHBondContact O-N 2.86Å; R398-D405 IonicContact CZ-OD2 3.15Å; R398-D405 IonicContact NE-OD2 2.78Å; R398-D405 IonicContact NH2-OD1 2.69Å; R398-D405 PolarHBondContact NH2-OD1 3Å; R398-D405 IonicContact NH2-OD2 2.79Å; R398-D405 PolarHBondContact NH2-OD2 2.95Å; R398-G474 VanDerWaalsContact O-CA 3.25Å; R398-G474 WeakPolarHBondContact O-CA 3.2Å; R398-G474 PolarHBondContact O-N 3.15Å | ||
| 399 | G | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -89.4 | -172.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y303 L401 H471 | Y303-G399 WeakPolarHBondContact OH-CA 3.38Å; G399-L401 PolarHBondContact O-N 2.92Å; G399-H471 WeakPolarHBondContact CA-O 3.39Å | ||
| 400 | T | 82.4 | Confident | 82 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 27% | 0.27 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -58.4 | 119 | -176.9 | -35.9 | 0 | 0 | 0 | 0 | 112.2 | D405 A406 D409 L473 | T400-D405 WeakPolarHBondContact CA-OD2 3.46Å; T400-D405 HydrophobicContact CG2-CB 3.64Å; T400-A406 HydrophobicContact CG2-CB 4.29Å; T400-D409 WeakPolarHBondContact CB-OD2 3.47Å; T400-D409 WeakPolarHBondContact CG2-OD2 3.1Å; T400-D409 PolarHBondContact OG1-OD2 2.94Å; T400-L473 WeakPolarHBondContact OG1-CB 3.31Å |
| 401 | L | 76.9 | Confident | 80.8 | Confident | 66 Ų | 66 | 28.4 Ų | 28.4 | 35% | 0.346 | 15% | 0.146 | S | C | . | . | trans | -141.9 | -14 | 175.5 | -163.3 | 67.4 | 0 | 0 | 0 | 112.1 | Y303 G399 D405 | Y303-L401 HydrophobicContact CD1-CB 4.23Å; Y303-L401 HydrophobicContact CD1-CD1 4.06Å; Y303-L401 HydrophobicContact CD1-CD2 4.23Å; Y303-L401 HydrophobicContact CD1-CG 4.41Å; Y303-L401 HydrophobicContact CE1-CB 4.37Å; G399-L401 PolarHBondContact O-N 2.92Å; L401-D405 PolarHBondContact N-OD2 3.04Å | ||
| 402 | S | 63.3 | Low | 79.3 | Confident | 16 Ų | 16 | 23 Ų | 23 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -121.7 | 159.9 | 179.8 | 102.4 | 0 | 0 | 0 | 0 | 113.2 | D375 K404 D405 A406 | D375-S402 WeakPolarHBondContact OD1-CB 3.43Å; D375-S402 PolarHBondContact OD1-OG 3.35Å; D375-S402 VanDerWaalsContact OD2-CB 3.26Å; D375-S402 WeakPolarHBondContact OD2-CB 3.5Å; D375-S402 PolarHBondContact OD2-OG 3.46Å; S402-K404 PolarHBondContact O-N 2.7Å; S402-K404 WeakPolarHBondContact OG-CB 3.39Å; S402-K404 PolarHBondContact OG-N 2.99Å; S402-D405 PolarHBondContact N-OD2 3.46Å; S402-D405 WeakPolarHBondContact O-CB 3.23Å; S402-D405 PolarHBondContact O-N 3.31Å; S402-D405 PolarHBondContact OG-N 3.41Å; S402-A406 PolarHBondContact O-N 3.22Å; S402-A406 VanDerWaalsContact O-N 3.12Å |
| 403 | P | 54.3 | Low | 78.4 | Confident | 27 Ų | 27 | 24.5 Ų | 24.5 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -17.6 | 171.4 | -23.1 | 34.3 | 0 | 0 | 0 | 114.3 | A214 Y215 L407 | A214-P403 HydrophobicContact CB-CB 4.45Å; Y215-P403 HydrophobicContact CE1-CB 4.45Å; Y215-P403 HydrophobicContact CE1-CG 4.32Å; P403-L407 PolarHBondContact O-N 2.88Å |
| 404 | K | 68.8 | Low | 77.8 | Confident | 50 Ų | 50 | 26.5 Ų | 26.5 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.4 | -37.1 | 177.7 | -50.1 | -173.4 | -168.2 | 175.1 | 0 | 111.6 | D375 V377 S402 A406 L407 T408 | D375-K404 WeakPolarHBondContact O-CD 3.37Å; D375-K404 WeakPolarHBondContact O-CE 3.49Å; D375-K404 PolarHBondContact O-NZ 3.35Å; V377-K404 HydrophobicContact CG2-CB 4.09Å; V377-K404 HydrophobicContact CG2-CG 4.49Å; S402-K404 PolarHBondContact O-N 2.7Å; S402-K404 WeakPolarHBondContact OG-CB 3.39Å; S402-K404 PolarHBondContact OG-N 2.99Å; K404-A406 VanDerWaalsContact C-N 3.31Å; K404-L407 PolarHBondContact O-N 3.17Å; K404-T408 PolarHBondContact O-N 2.99Å; K404-T408 PolarHBondContact O-OG1 3.12Å |
| 405 | D | 73.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 166.2 | -59.3 | -32.7 | 0 | 0 | 0 | 109.7 | R398 T400 L401 S402 L407 T408 D409 L473 | R398-D405 IonicContact CZ-OD2 3.15Å; R398-D405 IonicContact NE-OD2 2.78Å; R398-D405 IonicContact NH2-OD1 2.69Å; R398-D405 PolarHBondContact NH2-OD1 3Å; R398-D405 IonicContact NH2-OD2 2.79Å; R398-D405 PolarHBondContact NH2-OD2 2.95Å; T400-D405 WeakPolarHBondContact CA-OD2 3.46Å; T400-D405 HydrophobicContact CG2-CB 3.64Å; L401-D405 PolarHBondContact N-OD2 3.04Å; S402-D405 PolarHBondContact N-OD2 3.46Å; S402-D405 WeakPolarHBondContact O-CB 3.23Å; S402-D405 PolarHBondContact O-N 3.31Å; S402-D405 PolarHBondContact OG-N 3.41Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 2.85Å; D405-T408 CarbonylContact O-C 3.57Å; D405-T408 WeakPolarHBondContact O-CA 3.37Å; D405-T408 WeakPolarHBondContact O-CB 3.47Å; D405-T408 PolarHBondContact O-N 2.98Å; D405-D409 PolarHBondContact O-N 2.9Å; D405-L473 HydrophobicContact CB-CD2 3.59Å |
| 406 | A | 67.9 | Low | 76.9 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -33 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I218 T400 S402 K404 L410 | I218-A406 HydrophobicContact CD1-CB 4.42Å; T400-A406 HydrophobicContact CG2-CB 4.29Å; S402-A406 PolarHBondContact O-N 3.22Å; S402-A406 VanDerWaalsContact O-N 3.12Å; K404-A406 VanDerWaalsContact C-N 3.31Å; A406-L410 WeakPolarHBondContact O-CB 3.35Å; A406-L410 WeakPolarHBondContact O-CD1 3.48Å; A406-L410 WeakPolarHBondContact O-CG 3.35Å; A406-L410 PolarHBondContact O-N 2.85Å; A406-L410 VanDerWaalsContact O-N 3.08Å |
| 407 | L | 60.6 | Low | 76.5 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.9 | -36 | 171.2 | -175.6 | 58.1 | 0 | 0 | 0 | 111.9 | E217 L221 V377 P403 K404 D405 L410 T411 | E217-L407 HydrophobicContact CB-CD1 3.66Å; E217-L407 HydrophobicContact CB-CD2 4.27Å; E217-L407 HydrophobicContact CG-CD1 4.41Å; E217-L407 HydrophobicContact CG-CD2 4.34Å; L221-L407 HydrophobicContact CD1-CD1 4.33Å; V377-L407 HydrophobicContact CG1-CD2 4.18Å; V377-L407 HydrophobicContact CG1-CG 4.28Å; V377-L407 HydrophobicContact CG2-CD2 4.05Å; P403-L407 PolarHBondContact O-N 2.88Å; K404-L407 PolarHBondContact O-N 3.17Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 2.85Å; L407-L410 PolarHBondContact O-N 3.09Å; L407-T411 PolarHBondContact O-N 2.77Å; L407-T411 PolarHBondContact O-OG1 3.37Å |
| 408 | T | 68.9 | Low | 75.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | Y378 K404 D405 T411 G431 L473 | Y378-T408 HydrophobicContact CD1-CG2 4Å; Y378-T408 PolarHBondContact N-OG1 3.43Å; Y378-T408 VanDerWaalsContact N-OG1 3.12Å; K404-T408 PolarHBondContact O-N 2.99Å; K404-T408 PolarHBondContact O-OG1 3.12Å; D405-T408 CarbonylContact O-C 3.57Å; D405-T408 WeakPolarHBondContact O-CA 3.37Å; D405-T408 WeakPolarHBondContact O-CB 3.47Å; D405-T408 PolarHBondContact O-N 2.98Å; T408-T411 WeakPolarHBondContact O-CB 3.38Å; T408-T411 PolarHBondContact O-N 2.83Å; T408-G431 WeakPolarHBondContact CG2-O 3.27Å; T408-L473 HydrophobicContact CG2-CD1 4.03Å |
| 409 | D | 75.4 | Confident | 75.2 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 173.3 | -74.2 | -42.2 | 0 | 0 | 0 | 113 | T400 D405 T411 H429 M432 L473 | T400-D409 WeakPolarHBondContact CB-OD2 3.47Å; T400-D409 WeakPolarHBondContact CG2-OD2 3.1Å; T400-D409 PolarHBondContact OG1-OD2 2.94Å; D405-D409 PolarHBondContact O-N 2.9Å; D409-T411 VanDerWaalsContact C-N 3.28Å; D409-T411 PolarHBondContact O-N 2.93Å; D409-H429 PolarHBondContact O-CE1 3.34Å; D409-H429 VanDerWaalsContact O-CE1 3.27Å; D409-H429 PolarHBondContact O-NE2 3.3Å; D409-M432 VanDerWaalsContact OD1-CE 3.22Å; D409-M432 WeakPolarHBondContact OD1-CE 3.19Å; D409-L473 WeakPolarHBondContact OD1-CB 3.45Å |
| 410 | L | 67.6 | Low | 74.1 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.4 | 179.1 | -69.1 | 168.7 | 0 | 0 | 0 | 113.8 | I218 L221 A406 L407 G412 | I218-L410 HydrophobicContact CG1-CD1 4.02Å; I218-L410 HydrophobicContact CG2-CD1 4.37Å; L221-L410 HydrophobicContact CD1-CB 3.93Å; L221-L410 HydrophobicContact CD1-CD1 4.22Å; A406-L410 WeakPolarHBondContact O-CB 3.35Å; A406-L410 WeakPolarHBondContact O-CD1 3.48Å; A406-L410 WeakPolarHBondContact O-CG 3.35Å; A406-L410 PolarHBondContact O-N 2.85Å; A406-L410 VanDerWaalsContact O-N 3.08Å; L407-L410 PolarHBondContact O-N 3.09Å; L410-G412 PolarHBondContact O-N 2.94Å |
| 411 | T | 69.5 | Low | 73.2 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -78.8 | 66 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | Y378 L407 T408 D409 D413 H429 K430 | Y378-T411 HydrophobicContact CE1-CG2 4Å; L407-T411 PolarHBondContact O-N 2.77Å; L407-T411 PolarHBondContact O-OG1 3.37Å; T408-T411 WeakPolarHBondContact O-CB 3.38Å; T408-T411 PolarHBondContact O-N 2.83Å; D409-T411 VanDerWaalsContact C-N 3.28Å; D409-T411 PolarHBondContact O-N 2.93Å; T411-D413 PolarHBondContact O-N 3.11Å; T411-D413 VanDerWaalsContact O-N 3.1Å; T411-H429 PolarHBondContact O-CE1 3.42Å; T411-H429 VanDerWaalsContact O-CE1 3.3Å; T411-H429 PolarHBondContact O-NE2 3.42Å; T411-K430 HydrophobicContact CG2-CB 4.17Å; T411-K430 HydrophobicContact CG2-CD 4.09Å; T411-K430 HydrophobicContact CG2-CG 4.11Å | ||
| 412 | G | 63.5 | Low | 72.7 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | trans | -70.5 | 1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | L410 H429 L531 | L410-G412 PolarHBondContact O-N 2.94Å; G412-H429 WeakPolarHBondContact CA-NE2 3.17Å; G412-L531 WeakPolarHBondContact O-CD1 3.4Å; G412-L531 WeakPolarHBondContact O-CG 3.4Å | ||
| 413 | D | 77.1 | Confident | 72.1 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | trans | -57.8 | 150.6 | 172.5 | -76.9 | -21.7 | 0 | 0 | 0 | 111.5 | T411 K430 | T411-D413 PolarHBondContact O-N 3.11Å; T411-D413 VanDerWaalsContact O-N 3.1Å; D413-K430 HydrophobicContact CB-CB 3.84Å; D413-K430 HydrophobicContact CB-CD 3.41Å; D413-K430 VanDerWaalsContact CB-CD 3.41Å; D413-K430 HydrophobicContact CB-CG 4.33Å; D413-K430 VanDerWaalsContact O-CB 3.27Å; D413-K430 WeakPolarHBondContact O-CB 3.41Å; D413-K430 PolarHBondContact O-N 3.09Å; D413-K430 WeakPolarHBondContact OD2-CD 3.3Å; D413-K430 IonicContact OD2-NZ 3.96Å; D413-K430 PolarHBondContact OD2-NZ 3.17Å | ||
| 414 | A | 85.4 | Confident | 72.3 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L427 L599 | A414-L427 HydrophobicContact CB-CB 4.31Å; A414-L427 HydrophobicContact CB-CD1 4.15Å; A414-L599 HydrophobicContact CB-CD1 4.17Å |
| 415 | E | 88.7 | Confident | 72.7 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 155.1 | 177.6 | -170 | 52.7 | -94.5 | 0 | 0 | 110.8 | L427 G428 K430 V433 | E415-L427 CarbonylContact O-C 3.49Å; E415-L427 VanDerWaalsContact O-CA 3.26Å; E415-L427 WeakPolarHBondContact O-CA 3.34Å; E415-G428 PolarHBondContact N-O 2.78Å; E415-G428 PolarHBondContact O-N 3.38Å; E415-K430 HydrophobicContact CB-CB 3.76Å; E415-K430 HydrophobicContact CB-CG 3.93Å; E415-K430 HydrophobicContact CG-CG 4.35Å; E415-V433 HydrophobicContact CB-CB 4.38Å; E415-V433 HydrophobicContact CB-CG2 4.3Å; E415-V433 HydrophobicContact CG-CG1 4.26Å |
| 416 | R | 90.1 | Very high | 73.5 | Confident | 165 Ų | 165 | 61.3 Ų | 61.3 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.6 | 179.5 | -70 | 179.7 | 175.5 | -178.1 | -0.3 | 111.4 | P418 L427 | R416-P418 WeakPolarHBondContact O-CD 3.28Å; R416-L427 HydrophobicContact CG-CD2 3.85Å |
| 417 | L | 89.4 | Confident | 74.6 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | trans | -74.6 | 121 | 175.5 | -78.2 | 161.9 | 0 | 0 | 0 | 110.4 | V419 W426 V433 I480 L504 A508 | L417-V419 HydrophobicContact CB-CG2 4.28Å; L417-V419 PolarHBondContact O-N 2.9Å; L417-W426 HydrophobicContact CB-CB 4.18Å; L417-W426 HydrophobicContact CD1-CB 3.92Å; L417-W426 PolarHBondContact N-O 2.86Å; L417-V433 HydrophobicContact CD2-CG2 4.12Å; L417-I480 HydrophobicContact CD2-CB 4.38Å; L417-I480 HydrophobicContact CD2-CG1 4.2Å; L417-I480 HydrophobicContact CD2-CG2 3.48Å; L417-I480 VanDerWaalsContact CD2-CG2 3.48Å; L417-L504 HydrophobicContact CD1-CD2 4.02Å; L417-A508 HydrophobicContact CD1-CB 4.11Å | ||
| 418 | P | 83.8 | Confident | 76.1 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | trans | -80.1 | 65 | -174.7 | 32.8 | -36.4 | 0 | 0 | 0 | 111.7 | R416 E437 L484 | R416-P418 WeakPolarHBondContact O-CD 3.28Å; P418-E437 HydrophobicContact CG-CG 3.85Å; P418-E437 WeakPolarHBondContact CG-OE1 3.38Å; P418-L484 HydrophobicContact CG-CD1 4.23Å; P418-L484 HydrophobicContact CG-CD2 3.77Å | ||
| 419 | V | 81.4 | Confident | 77.2 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | trans | -110.4 | 125.3 | -177.3 | -178.8 | 0 | 0 | 0 | 0 | 110 | L417 H422 W426 F483 L484 | L417-V419 HydrophobicContact CB-CG2 4.28Å; L417-V419 PolarHBondContact O-N 2.9Å; V419-H422 HydrophobicContact CB-CB 4.47Å; V419-H422 HydrophobicContact CG1-CB 4.42Å; V419-H422 PolarHBondContact O-N 3.2Å; V419-W426 HydrophobicContact CG1-CZ3 4.48Å; V419-F483 HydrophobicContact CG2-CB 3.93Å; V419-F483 HydrophobicContact CG2-CD1 4.49Å; V419-L484 HydrophobicContact CG2-CD2 3.91Å | ||
| 420 | E | 67.9 | Low | 77.9 | Confident | 175 Ų | 175 | 61.9 Ų | 61.9 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 144.6 | 179 | -64.2 | -177.7 | 177.1 | 0 | 0 | 112.2 | H422 | E420-H422 PolarHBondContact O-N 2.79Å; E420-H422 PolarHBondContact O-ND1 3.17Å; E420-H422 VanDerWaalsContact O-ND1 3.13Å |
| 421 | G | 63.8 | Low | 78.9 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -17.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | H423 | G421-H423 PolarHBondContact O-N 2.92Š|
| 422 | H | 65.3 | Low | 80.1 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | trans | -100.2 | 85 | -178.5 | -65.8 | 74.8 | 0 | 0 | 0 | 109.8 | V419 E420 G424 W426 | V419-H422 HydrophobicContact CB-CB 4.47Å; V419-H422 HydrophobicContact CG1-CB 4.42Å; V419-H422 PolarHBondContact O-N 3.2Å; E420-H422 PolarHBondContact O-N 2.79Å; E420-H422 PolarHBondContact O-ND1 3.17Å; E420-H422 VanDerWaalsContact O-ND1 3.13Å; H422-G424 VanDerWaalsContact C-N 3.29Å; H422-G424 PolarHBondContact O-N 3.1Å; H422-W426 HydrophobicContact CB-CD2 4.49Å; H422-W426 HydrophobicContact CB-CE3 4.19Å; H422-W426 HydrophobicContact CB-CZ3 4.4Å; H422-W426 AromaticContact CD2-CE2 3.94Å; H422-W426 AromaticContact CD2-CE3 4Å; H422-W426 AromaticContact CD2-CH2 3.3Å; H422-W426 WeakPolarHBondContact CD2-CH2 3.41Å; H422-W426 AromaticContact CD2-CZ2 3.53Å; H422-W426 AromaticContact CD2-CZ3 3.55Å; H422-W426 AromaticContact CG-CZ3 3.83Å; H422-W426 AromaticContact NE2-CH2 3.42Å; H422-W426 WeakPolarHBondContact NE2-CH2 3.44Å; H422-W426 AromaticContact NE2-CZ2 3.91Å; H422-W426 AromaticContact NE2-CZ3 3.92Å | ||
| 423 | H | 51.7 | Low | 81.5 | Confident | 183 Ų | 183 | 56.9 Ų | 56.9 | 85% | 0.847 | 30% | 0.304 | S | S | * | . | trans | -68.8 | 70.3 | -169.1 | -69.8 | -81.4 | 0 | 0 | 0 | 115.1 | G421 T425 | G421-H423 PolarHBondContact O-N 2.92Å; H423-T425 PolarHBondContact O-N 3.37Å | ||
| 424 | G | 57.3 | Low | 82.3 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 78.9 | 9.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117.6 | H422 | H422-G424 VanDerWaalsContact C-N 3.29Å; H422-G424 PolarHBondContact O-N 3.1Å |
| 425 | T | 78.1 | Confident | 82.7 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | trans | -82.1 | -28.4 | 173.9 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | H423 | H423-T425 PolarHBondContact O-N 3.37Š| ||
| 426 | W | 90.4 | Very high | 83.1 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | trans | -84.9 | 124.1 | -178.9 | -71.7 | -2.8 | 0 | 0 | 0 | 111.1 | L417 V419 H422 F483 A508 Y511 | L417-W426 HydrophobicContact CB-CB 4.18Å; L417-W426 HydrophobicContact CD1-CB 3.92Å; L417-W426 PolarHBondContact N-O 2.86Å; V419-W426 HydrophobicContact CG1-CZ3 4.48Å; H422-W426 HydrophobicContact CB-CD2 4.49Å; H422-W426 HydrophobicContact CB-CE3 4.19Å; H422-W426 HydrophobicContact CB-CZ3 4.4Å; H422-W426 AromaticContact CD2-CE2 3.94Å; H422-W426 AromaticContact CD2-CE3 4Å; H422-W426 AromaticContact CD2-CH2 3.3Å; H422-W426 WeakPolarHBondContact CD2-CH2 3.41Å; H422-W426 AromaticContact CD2-CZ2 3.53Å; H422-W426 AromaticContact CD2-CZ3 3.55Å; H422-W426 AromaticContact CG-CZ3 3.83Å; H422-W426 AromaticContact NE2-CH2 3.42Å; H422-W426 WeakPolarHBondContact NE2-CH2 3.44Å; H422-W426 AromaticContact NE2-CZ2 3.91Å; H422-W426 AromaticContact NE2-CZ3 3.92Å; W426-F483 HydrophobicContact CD2-CE1 4.48Å; W426-F483 AromaticContact CE3-CD1 3.88Å; W426-F483 HydrophobicContact CE3-CD1 3.88Å; W426-F483 AromaticContact CE3-CE1 3.79Å; W426-F483 HydrophobicContact CE3-CE1 3.79Å; W426-F483 HydrophobicContact CH2-CE1 4.41Å; W426-F483 AromaticContact CZ3-CD1 3.73Å; W426-F483 HydrophobicContact CZ3-CD1 3.73Å; W426-F483 AromaticContact CZ3-CE1 3.76Å; W426-F483 HydrophobicContact CZ3-CE1 3.76Å; W426-A508 HydrophobicContact CB-CB 4.1Å; W426-A508 HydrophobicContact CD2-CB 4.19Å; W426-A508 HydrophobicContact CG-CB 3.88Å; W426-Y511 AromaticContact CH2-CD1 3.33Å; W426-Y511 HydrophobicContact CH2-CD1 3.33Å; W426-Y511 AromaticContact CH2-CD2 3.84Å; W426-Y511 HydrophobicContact CH2-CD2 3.84Å; W426-Y511 AromaticContact CH2-CE1 3.63Å; W426-Y511 HydrophobicContact CH2-CE1 3.63Å; W426-Y511 HydrophobicContact CH2-CE2 4.11Å; W426-Y511 AromaticContact CH2-CG 3.43Å; W426-Y511 HydrophobicContact CH2-CG 3.43Å; W426-Y511 VanDerWaalsContact CH2-CG 3.43Å; W426-Y511 AromaticContact CH2-CZ 3.99Å; W426-Y511 HydrophobicContact CZ2-CD1 4.07Å; W426-Y511 HydrophobicContact CZ2-CD2 4.21Å; W426-Y511 AromaticContact CZ2-CG 3.78Å; W426-Y511 HydrophobicContact CZ2-CG 3.78Å; W426-Y511 AromaticContact CZ3-CD1 3.79Å; W426-Y511 HydrophobicContact CZ3-CD1 3.79Å; W426-Y511 AromaticContact CZ3-CE1 3.92Å; W426-Y511 HydrophobicContact CZ3-CE1 3.92Å; W426-Y511 HydrophobicContact CZ3-CG 4.33Å | ||
| 427 | L | 91.3 | Very high | 83.3 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.4 | 179.8 | -53.4 | 176.9 | 0 | 0 | 0 | 110.4 | A414 E415 R416 L504 S505 T597 L599 | A414-L427 HydrophobicContact CB-CB 4.31Å; A414-L427 HydrophobicContact CB-CD1 4.15Å; E415-L427 CarbonylContact O-C 3.49Å; E415-L427 VanDerWaalsContact O-CA 3.26Å; E415-L427 WeakPolarHBondContact O-CA 3.34Å; R416-L427 HydrophobicContact CG-CD2 3.85Å; L427-L504 WeakPolarHBondContact O-CA 3.23Å; L427-S505 PolarHBondContact N-OG 2.98Å; L427-S505 VanDerWaalsContact N-OG 3.08Å; L427-S505 PolarHBondContact O-N 3.4Å; L427-T597 HydrophobicContact CD1-CG2 4.35Å; L427-L599 HydrophobicContact CB-CD2 4.34Å |
| 428 | G | 92.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 161.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E415 K430 L503 | E415-G428 PolarHBondContact N-O 2.78Å; E415-G428 PolarHBondContact O-N 3.38Å; G428-K430 PolarHBondContact O-N 2.88Å; G428-L503 CarbonylContact C-O 3.55Å; G428-L503 WeakPolarHBondContact CA-O 3.32Å |
| 429 | H | 91.4 | Very high | 84.2 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 117.3 | 173.3 | -172.6 | -97.2 | 0 | 0 | 0 | 111 | D409 T411 G412 G431 M432 V433 L503 | D409-H429 PolarHBondContact O-CE1 3.34Å; D409-H429 VanDerWaalsContact O-CE1 3.27Å; D409-H429 PolarHBondContact O-NE2 3.3Å; T411-H429 PolarHBondContact O-CE1 3.42Å; T411-H429 VanDerWaalsContact O-CE1 3.3Å; T411-H429 PolarHBondContact O-NE2 3.42Å; G412-H429 WeakPolarHBondContact CA-NE2 3.17Å; H429-G431 PolarHBondContact O-N 3.36Å; H429-M432 HydrophobicContact CB-CB 4.42Å; H429-M432 HydrophobicContact CB-CG 4.48Å; H429-M432 CarbonylContact O-C 3.2Å; H429-M432 WeakPolarHBondContact O-CA 3.42Å; H429-M432 PolarHBondContact O-N 3.11Å; H429-V433 PolarHBondContact O-N 3.26Å; H429-L503 HydrophobicContact CB-CD1 4.1Å; H429-L503 PolarHBondContact N-O 3.08Å |
| 430 | K | 89.4 | Confident | 84.9 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52 | -47.8 | -167.3 | 179.3 | 174.7 | -175.9 | 172.6 | 0 | 114 | T411 D413 E415 G428 M432 V433 L434 | T411-K430 HydrophobicContact CG2-CB 4.17Å; T411-K430 HydrophobicContact CG2-CD 4.09Å; T411-K430 HydrophobicContact CG2-CG 4.11Å; D413-K430 HydrophobicContact CB-CB 3.84Å; D413-K430 HydrophobicContact CB-CD 3.41Å; D413-K430 VanDerWaalsContact CB-CD 3.41Å; D413-K430 HydrophobicContact CB-CG 4.33Å; D413-K430 VanDerWaalsContact O-CB 3.27Å; D413-K430 WeakPolarHBondContact O-CB 3.41Å; D413-K430 PolarHBondContact O-N 3.09Å; D413-K430 WeakPolarHBondContact OD2-CD 3.3Å; D413-K430 IonicContact OD2-NZ 3.96Å; D413-K430 PolarHBondContact OD2-NZ 3.17Å; E415-K430 HydrophobicContact CB-CB 3.76Å; E415-K430 HydrophobicContact CB-CG 3.93Å; E415-K430 HydrophobicContact CG-CG 4.35Å; G428-K430 PolarHBondContact O-N 2.88Å; K430-M432 PolarHBondContact O-N 2.99Å; K430-V433 PolarHBondContact O-N 2.94Å; K430-L434 HydrophobicContact CG-CD1 4.16Å; K430-L434 WeakPolarHBondContact O-CG 3.29Å; K430-L434 PolarHBondContact O-N 2.69Å |
| 431 | G | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -30.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T408 H429 S435 | T408-G431 WeakPolarHBondContact CG2-O 3.27Å; H429-G431 PolarHBondContact O-N 3.36Å; G431-S435 WeakPolarHBondContact O-CB 3.33Å; G431-S435 PolarHBondContact O-N 3.02Å; G431-S435 PolarHBondContact O-OG 3.45Å |
| 432 | M | 93.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -92.1 | -25 | -178.1 | -57.9 | -175.3 | -167.1 | 0 | 0 | 112.6 | D409 H429 K430 A436 L473 I480 P500 L503 | D409-M432 VanDerWaalsContact OD1-CE 3.22Å; D409-M432 WeakPolarHBondContact OD1-CE 3.19Å; H429-M432 HydrophobicContact CB-CB 4.42Å; H429-M432 HydrophobicContact CB-CG 4.48Å; H429-M432 CarbonylContact O-C 3.2Å; H429-M432 WeakPolarHBondContact O-CA 3.42Å; H429-M432 PolarHBondContact O-N 3.11Å; K430-M432 PolarHBondContact O-N 2.99Å; M432-A436 VanDerWaalsContact O-CB 3.31Å; M432-A436 WeakPolarHBondContact O-CB 3.27Å; M432-A436 PolarHBondContact O-N 3.42Å; M432-L473 HydrophobicContact CE-CD1 3.72Å; M432-L473 HydrophobicContact CG-CD1 3.74Å; M432-L473 HydrophobicContact SD-CD1 4.14Å; M432-I480 HydrophobicContact CB-CD1 3.77Å; M432-P500 HydrophobicContact CE-CG 3.8Å; M432-P500 HydrophobicContact SD-CG 3.77Å; M432-L503 HydrophobicContact CB-CD1 4.34Å; M432-L503 HydrophobicContact SD-CD1 3.63Å |
| 433 | V | 94.2 | Very high | 89 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -53.6 | 165.6 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | E415 L417 H429 K430 S435 A436 E437 I480 | E415-V433 HydrophobicContact CB-CB 4.38Å; E415-V433 HydrophobicContact CB-CG2 4.3Å; E415-V433 HydrophobicContact CG-CG1 4.26Å; L417-V433 HydrophobicContact CD2-CG2 4.12Å; H429-V433 PolarHBondContact O-N 3.26Å; K430-V433 PolarHBondContact O-N 2.94Å; V433-S435 VanDerWaalsContact C-N 3.32Å; V433-S435 PolarHBondContact O-N 3.15Å; V433-A436 PolarHBondContact O-N 3.28Å; V433-E437 PolarHBondContact O-N 3.4Å; V433-I480 HydrophobicContact CG2-CD1 3.98Å; V433-I480 HydrophobicContact CG2-CG2 4.45Å |
| 434 | L | 93.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 178.9 | -64.8 | 171.1 | 0 | 0 | 0 | 111.9 | Y378 K430 A436 E437 Y438 | Y378-L434 HydrophobicContact CD1-CB 4.11Å; Y378-L434 HydrophobicContact CD1-CD1 3.81Å; Y378-L434 HydrophobicContact CD2-CD1 4.06Å; Y378-L434 HydrophobicContact CE1-CD1 3.92Å; Y378-L434 HydrophobicContact CE2-CD1 4.15Å; Y378-L434 HydrophobicContact CG-CB 3.99Å; Y378-L434 HydrophobicContact CG-CD1 3.89Å; K430-L434 HydrophobicContact CG-CD1 4.16Å; K430-L434 WeakPolarHBondContact O-CG 3.29Å; K430-L434 PolarHBondContact O-N 2.69Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 2.91Å; L434-E437 PolarHBondContact O-N 2.8Å; L434-Y438 WeakPolarHBondContact O-CB 3.38Å; L434-Y438 PolarHBondContact O-N 2.93Å |
| 435 | S | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -35.6 | 175.2 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | Y378 T380 G431 V433 I439 | Y378-S435 WeakPolarHBondContact O-CA 3.37Å; T380-S435 PolarHBondContact OG1-OG 3.03Å; G431-S435 WeakPolarHBondContact O-CB 3.33Å; G431-S435 PolarHBondContact O-N 3.02Å; G431-S435 PolarHBondContact O-OG 3.45Å; V433-S435 VanDerWaalsContact C-N 3.32Å; V433-S435 PolarHBondContact O-N 3.15Å; S435-I439 VanDerWaalsContact O-CG1 3.31Å; S435-I439 WeakPolarHBondContact O-CG1 3.37Å; S435-I439 PolarHBondContact O-N 3.11Å; S435-I439 VanDerWaalsContact O-N 3.11Å |
| 436 | A | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.3 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M432 V433 L434 I439 K440 T477 I480 L481 L484 | M432-A436 VanDerWaalsContact O-CB 3.31Å; M432-A436 WeakPolarHBondContact O-CB 3.27Å; M432-A436 PolarHBondContact O-N 3.42Å; V433-A436 PolarHBondContact O-N 3.28Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 2.91Å; A436-I439 PolarHBondContact O-N 3.32Å; A436-K440 WeakPolarHBondContact O-CB 3.41Å; A436-K440 PolarHBondContact O-N 3.38Å; A436-T477 HydrophobicContact CB-CG2 4.14Å; A436-I480 HydrophobicContact CB-CB 4.03Å; A436-I480 HydrophobicContact CB-CG2 3.61Å; A436-L481 HydrophobicContact CB-CB 4.04Å; A436-L484 HydrophobicContact CB-CD1 4.14Å |
| 437 | E | 95.2 | Very high | 93.3 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -44 | 171.6 | -71.4 | -171.1 | 122 | 0 | 0 | 111.6 | P418 V433 L434 K440 K441 L484 | P418-E437 HydrophobicContact CG-CG 3.85Å; P418-E437 WeakPolarHBondContact CG-OE1 3.38Å; V433-E437 PolarHBondContact O-N 3.4Å; L434-E437 PolarHBondContact O-N 2.8Å; E437-K440 PolarHBondContact O-N 3.03Å; E437-K441 VanDerWaalsContact O-CB 3.28Å; E437-K441 WeakPolarHBondContact O-CB 3.33Å; E437-K441 PolarHBondContact O-N 3.45Å; E437-L484 HydrophobicContact CG-CD1 4.36Å |
| 438 | Y | 95.3 | Very high | 93.4 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.5 | -53.2 | 174.5 | 173.9 | -101.3 | 0 | 0 | 0 | 111.8 | E379 L434 K440 K441 K442 | E379-Y438 HydrophobicContact CB-CD1 4.1Å; E379-Y438 HydrophobicContact CB-CD2 4.36Å; E379-Y438 HydrophobicContact CB-CE1 3.77Å; E379-Y438 HydrophobicContact CB-CE2 4.03Å; E379-Y438 HydrophobicContact CB-CG 4.36Å; E379-Y438 HydrophobicContact CG-CD1 4.32Å; E379-Y438 HydrophobicContact CG-CD2 3.73Å; E379-Y438 HydrophobicContact CG-CE1 4.2Å; E379-Y438 HydrophobicContact CG-CE2 3.56Å; E379-Y438 HydrophobicContact CG-CG 4.08Å; E379-Y438 WeakPolarHBondContact OE2-CE2 3.46Å; E379-Y438 PolarHBondContact OE2-OH 3.38Å; L434-Y438 WeakPolarHBondContact O-CB 3.38Å; L434-Y438 PolarHBondContact O-N 2.93Å; Y438-K440 PolarHBondContact O-N 2.86Å; Y438-K441 PolarHBondContact O-N 2.95Å; Y438-K442 HydrophobicContact CE1-CG 4.17Å; Y438-K442 HydrophobicContact CE2-CG 4.25Å; Y438-K442 WeakPolarHBondContact O-CB 3.17Å; Y438-K442 PolarHBondContact O-N 2.82Å |
| 439 | I | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -179.3 | -65.7 | 172.6 | 0 | 0 | 0 | 110.7 | F382 I397 S435 A436 K441 K442 L443 T477 L481 | F382-I439 HydrophobicContact CB-CD1 4.32Å; F382-I439 HydrophobicContact CD1-CB 4.49Å; F382-I439 HydrophobicContact CD1-CD1 4.08Å; F382-I439 HydrophobicContact CD1-CG1 3.74Å; F382-I439 HydrophobicContact CD1-CG2 4.14Å; F382-I439 HydrophobicContact CD2-CG2 4.15Å; F382-I439 HydrophobicContact CE1-CB 4.42Å; F382-I439 HydrophobicContact CE1-CG1 3.99Å; F382-I439 HydrophobicContact CE1-CG2 4.1Å; F382-I439 HydrophobicContact CE2-CG2 4.12Å; F382-I439 HydrophobicContact CG-CD1 4.32Å; F382-I439 HydrophobicContact CG-CG1 4.34Å; F382-I439 HydrophobicContact CG-CG2 4.16Å; F382-I439 HydrophobicContact CZ-CG2 4.09Å; I397-I439 HydrophobicContact CD1-CD1 3.82Å; I397-I439 HydrophobicContact CG1-CD1 4.12Å; I397-I439 HydrophobicContact CG2-CD1 3.78Å; S435-I439 VanDerWaalsContact O-CG1 3.31Å; S435-I439 WeakPolarHBondContact O-CG1 3.37Å; S435-I439 PolarHBondContact O-N 3.11Å; S435-I439 VanDerWaalsContact O-N 3.11Å; A436-I439 PolarHBondContact O-N 3.32Å; I439-K441 PolarHBondContact O-N 3.28Å; I439-K442 PolarHBondContact O-N 3.42Å; I439-L443 HydrophobicContact CG2-CD1 3.88Å; I439-L443 HydrophobicContact CG2-CG 4.21Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 WeakPolarHBondContact O-CG 3.5Å; I439-L443 PolarHBondContact O-N 2.75Å; I439-T477 HydrophobicContact CD1-CG2 3.95Å; I439-L481 HydrophobicContact CB-CD2 4.34Å; I439-L481 HydrophobicContact CG2-CD1 4.46Å; I439-L481 HydrophobicContact CG2-CD2 3.63Å |
| 440 | K | 95.8 | Very high | 93.4 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.7 | -51.2 | 173.8 | 176.6 | 176.8 | -178.8 | -67.2 | 0 | 111.3 | A436 E437 Y438 K442 L443 E444 L481 L484 | A436-K440 WeakPolarHBondContact O-CB 3.41Å; A436-K440 PolarHBondContact O-N 3.38Å; E437-K440 PolarHBondContact O-N 3.03Å; Y438-K440 PolarHBondContact O-N 2.86Å; K440-K442 VanDerWaalsContact C-N 3.34Å; K440-K442 PolarHBondContact O-N 3.24Å; K440-L443 PolarHBondContact O-N 3.44Å; K440-E444 VanDerWaalsContact CE-OE1 3.32Å; K440-E444 WeakPolarHBondContact CE-OE1 3.5Å; K440-E444 IonicContact NZ-OE1 3.53Å; K440-E444 PolarHBondContact NZ-OE1 3.43Å; K440-E444 IonicContact NZ-OE2 3.86Å; K440-E444 PolarHBondContact NZ-OE2 3.05Å; K440-E444 WeakPolarHBondContact O-CG 3.21Å; K440-E444 PolarHBondContact O-N 3.01Å; K440-L481 HydrophobicContact CB-CD1 3.87Å; K440-L484 HydrophobicContact CD-CB 3.85Å; K440-L484 HydrophobicContact CD-CD1 4.24Å |
| 441 | K | 94.8 | Very high | 93.5 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 179.5 | 178.4 | -177 | 172.5 | -170.3 | 0 | 111.5 | E437 Y438 I439 E444 Q445 | E437-K441 VanDerWaalsContact O-CB 3.28Å; E437-K441 WeakPolarHBondContact O-CB 3.33Å; E437-K441 PolarHBondContact O-N 3.45Å; Y438-K441 PolarHBondContact O-N 2.95Å; I439-K441 PolarHBondContact O-N 3.28Å; K441-E444 PolarHBondContact O-N 2.86Å; K441-Q445 HydrophobicContact CG-CG 4.22Å; K441-Q445 VanDerWaalsContact O-CB 3.3Å; K441-Q445 WeakPolarHBondContact O-CB 3.34Å; K441-Q445 VanDerWaalsContact O-CG 3.27Å; K441-Q445 WeakPolarHBondContact O-CG 3.29Å; K441-Q445 PolarHBondContact O-N 3.37Å |
| 442 | K | 93.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 10% | 0.1 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 173.6 | -90 | -78 | -172.7 | 164.2 | 0 | 112.5 | E342 F382 Y438 I439 K440 E444 Q445 E446 | E342-K442 IonicContact OE1-NZ 3.27Å; E342-K442 PolarHBondContact OE1-NZ 3.09Å; E342-K442 IonicContact OE2-NZ 3.96Å; E342-K442 PolarHBondContact OE2-NZ 3.36Å; F382-K442 HydrophobicContact CE1-CB 4.29Å; F382-K442 HydrophobicContact CZ-CB 4.06Å; Y438-K442 HydrophobicContact CE1-CG 4.17Å; Y438-K442 HydrophobicContact CE2-CG 4.25Å; Y438-K442 WeakPolarHBondContact O-CB 3.17Å; Y438-K442 PolarHBondContact O-N 2.82Å; I439-K442 PolarHBondContact O-N 3.42Å; K440-K442 VanDerWaalsContact C-N 3.34Å; K440-K442 PolarHBondContact O-N 3.24Å; K442-E444 VanDerWaalsContact C-N 3.27Å; K442-E444 PolarHBondContact O-N 3.4Å; K442-Q445 PolarHBondContact O-N 2.88Å; K442-E446 WeakPolarHBondContact CD-OE1 3.32Å; K442-E446 WeakPolarHBondContact CE-OE1 3.44Å; K442-E446 IonicContact NZ-OE1 3.35Å; K442-E446 PolarHBondContact NZ-OE1 3.39Å; K442-E446 PolarHBondContact O-N 3.39Å |
| 443 | L | 94.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | 178.6 | -70.8 | 170.8 | 0 | 0 | 0 | 112.7 | F382 V384 I395 I439 K440 M447 V448 L449 L481 L485 | F382-L443 HydrophobicContact CE2-CD2 3.8Å; F382-L443 HydrophobicContact CE2-CG 4.26Å; F382-L443 HydrophobicContact CZ-CD2 4.41Å; V384-L443 HydrophobicContact CG2-CD2 3.81Å; I395-L443 HydrophobicContact CD1-CD1 3.81Å; I395-L443 HydrophobicContact CG1-CD1 4.5Å; I439-L443 HydrophobicContact CG2-CD1 3.88Å; I439-L443 HydrophobicContact CG2-CG 4.21Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 WeakPolarHBondContact O-CG 3.5Å; I439-L443 PolarHBondContact O-N 2.75Å; K440-L443 PolarHBondContact O-N 3.44Å; L443-M447 CarbonylContact O-C 3.45Å; L443-M447 PolarHBondContact O-N 3.42Å; L443-V448 HydrophobicContact CD2-CB 3.77Å; L443-V448 HydrophobicContact CD2-CG1 3.88Å; L443-V448 HydrophobicContact CD2-CG2 4.36Å; L443-V448 PolarHBondContact O-N 2.98Å; L443-L449 HydrophobicContact CB-CG 4.46Å; L443-L449 HydrophobicContact CD2-CD2 4.23Å; L443-L449 HydrophobicContact CD2-CG 4.3Å; L443-L481 HydrophobicContact CD1-CD2 4.42Å; L443-L485 HydrophobicContact CD1-CD1 4.43Å |
| 444 | E | 93.1 | Very high | 93.4 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -77.9 | -49.7 | 177.4 | -71.4 | 173.8 | 151.2 | 0 | 0 | 112.2 | K440 K441 K442 E446 M447 Q488 | K440-E444 VanDerWaalsContact CE-OE1 3.32Å; K440-E444 WeakPolarHBondContact CE-OE1 3.5Å; K440-E444 IonicContact NZ-OE1 3.53Å; K440-E444 PolarHBondContact NZ-OE1 3.43Å; K440-E444 IonicContact NZ-OE2 3.86Å; K440-E444 PolarHBondContact NZ-OE2 3.05Å; K440-E444 WeakPolarHBondContact O-CG 3.21Å; K440-E444 PolarHBondContact O-N 3.01Å; K441-E444 PolarHBondContact O-N 2.86Å; K442-E444 VanDerWaalsContact C-N 3.27Å; K442-E444 PolarHBondContact O-N 3.4Å; E444-E446 PolarHBondContact O-N 3.49Å; E444-M447 PolarHBondContact O-N 3.31Å; E444-Q488 PolarHBondContact OE1-NE2 2.97Å |
| 445 | Q | 92.8 | Very high | 93 | Very high | 137 Ų | 137 | 47 Ų | 47 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.8 | -38.2 | -177 | -73.6 | -173.4 | -48 | 0 | 0 | 113.2 | K441 K442 | K441-Q445 HydrophobicContact CG-CG 4.22Å; K441-Q445 VanDerWaalsContact O-CB 3.3Å; K441-Q445 WeakPolarHBondContact O-CB 3.34Å; K441-Q445 VanDerWaalsContact O-CG 3.27Å; K441-Q445 WeakPolarHBondContact O-CG 3.29Å; K441-Q445 PolarHBondContact O-N 3.37Å; K442-Q445 PolarHBondContact O-N 2.88Å |
| 446 | E | 90.4 | Very high | 92.5 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.3 | 178.1 | -66.8 | 174.4 | -138.4 | 0 | 0 | 112.4 | Y370 K442 E444 V448 Q451 | Y370-E446 WeakPolarHBondContact CE2-OE2 3.27Å; Y370-E446 PolarHBondContact OH-OE2 2.88Å; K442-E446 WeakPolarHBondContact CD-OE1 3.32Å; K442-E446 WeakPolarHBondContact CE-OE1 3.44Å; K442-E446 IonicContact NZ-OE1 3.35Å; K442-E446 PolarHBondContact NZ-OE1 3.39Å; K442-E446 PolarHBondContact O-N 3.39Å; E444-E446 PolarHBondContact O-N 3.49Å; E446-V448 HydrophobicContact CB-CG2 3.78Å; E446-V448 PolarHBondContact O-N 3.06Å; E446-V448 VanDerWaalsContact O-N 3.1Å; E446-Q451 PolarHBondContact O-NE2 3.27Å |
| 447 | M | 91.7 | Very high | 92 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 29.7 | 178 | -63.4 | -73 | -75.7 | 0 | 0 | 113.5 | L443 E444 L449 S450 Q451 | L443-M447 CarbonylContact O-C 3.45Å; L443-M447 PolarHBondContact O-N 3.42Å; E444-M447 PolarHBondContact O-N 3.31Å; M447-L449 VanDerWaalsContact C-N 3.32Å; M447-L449 PolarHBondContact O-N 3.45Å; M447-S450 WeakPolarHBondContact O-CA 3.47Å; M447-S450 WeakPolarHBondContact O-CB 3.27Å; M447-S450 PolarHBondContact O-N 3.05Å; M447-Q451 PolarHBondContact O-N 3.18Å |
| 448 | V | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | -167.6 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | Y370 V384 L443 E446 Q451 A452 | Y370-V448 HydrophobicContact CD1-CG1 4.31Å; Y370-V448 HydrophobicContact CD2-CG1 4.11Å; Y370-V448 HydrophobicContact CD2-CG2 3.81Å; Y370-V448 HydrophobicContact CE2-CG2 3.95Å; Y370-V448 HydrophobicContact CG-CG1 3.73Å; Y370-V448 HydrophobicContact CG-CG2 4.11Å; V384-V448 HydrophobicContact CB-CG1 4.05Å; V384-V448 HydrophobicContact CG1-CG1 4.45Å; V384-V448 HydrophobicContact CG2-CG1 3.76Å; L443-V448 HydrophobicContact CD2-CB 3.77Å; L443-V448 HydrophobicContact CD2-CG1 3.88Å; L443-V448 HydrophobicContact CD2-CG2 4.36Å; L443-V448 PolarHBondContact O-N 2.98Å; E446-V448 HydrophobicContact CB-CG2 3.78Å; E446-V448 PolarHBondContact O-N 3.06Å; E446-V448 VanDerWaalsContact O-N 3.1Å; V448-Q451 WeakPolarHBondContact O-CB 3.31Å; V448-Q451 PolarHBondContact O-N 3.4Å; V448-A452 PolarHBondContact O-N 3.15Å |
| 449 | L | 93.4 | Very high | 91 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 177 | -62.8 | -178.1 | 0 | 0 | 0 | 111.7 | V393 I395 L443 M447 Q451 A452 F453 L466 Y489 | V393-L449 HydrophobicContact CG1-CD2 4.37Å; I395-L449 HydrophobicContact CD1-CD2 4.03Å; I395-L449 HydrophobicContact CG1-CD2 4.14Å; L443-L449 HydrophobicContact CB-CG 4.46Å; L443-L449 HydrophobicContact CD2-CD2 4.23Å; L443-L449 HydrophobicContact CD2-CG 4.3Å; M447-L449 VanDerWaalsContact C-N 3.32Å; M447-L449 PolarHBondContact O-N 3.45Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.4Å; L449-A452 PolarHBondContact O-N 3.5Å; L449-F453 HydrophobicContact CB-CD2 4.28Å; L449-F453 HydrophobicContact CB-CE2 4.15Å; L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 2.88Å; L449-L466 HydrophobicContact CD1-CD2 4.33Å; L449-L466 HydrophobicContact CD2-CD1 4.27Å; L449-Y489 HydrophobicContact CD1-CE2 3.95Å |
| 450 | S | 91.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 174.1 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | M447 G454 | M447-S450 WeakPolarHBondContact O-CA 3.47Å; M447-S450 WeakPolarHBondContact O-CB 3.27Å; M447-S450 PolarHBondContact O-N 3.05Å; S450-G454 PolarHBondContact O-N 3.42Å |
| 451 | Q | 91.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 172.4 | -61.4 | -177.5 | 46 | 0 | 0 | 111.6 | V369 E446 M447 V448 L449 G454 R455 | V369-Q451 HydrophobicContact CG1-CB 4.06Å; E446-Q451 PolarHBondContact O-NE2 3.27Å; M447-Q451 PolarHBondContact O-N 3.18Å; V448-Q451 WeakPolarHBondContact O-CB 3.31Å; V448-Q451 PolarHBondContact O-N 3.4Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.4Å; Q451-G454 CarbonylContact O-C 3.59Å; Q451-G454 PolarHBondContact O-N 3.45Å; Q451-R455 PolarHBondContact O-N 3.2Å; Q451-R455 VanDerWaalsContact O-N 3.09Å |
| 452 | A | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -47.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | V369 V384 V386 V393 V448 L449 G454 R455 | V369-A452 HydrophobicContact CG1-CB 4.43Å; V369-A452 HydrophobicContact CG2-CB 4.38Å; V384-A452 HydrophobicContact CG1-CB 4.18Å; V386-A452 HydrophobicContact CG2-CB 4Å; V393-A452 HydrophobicContact CG1-CB 3.74Å; V393-A452 HydrophobicContact CG2-CB 4.1Å; V448-A452 PolarHBondContact O-N 3.15Å; L449-A452 PolarHBondContact O-N 3.5Å; A452-G454 PolarHBondContact O-N 3.22Å; A452-R455 VanDerWaalsContact O-CB 3.27Å; A452-R455 WeakPolarHBondContact O-CB 3.3Å; A452-R455 PolarHBondContact O-N 2.83Å |
| 453 | F | 93.4 | Very high | 90 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.6 | -23 | 174.6 | -68.1 | -60.9 | 0 | 0 | 0 | 112.8 | V393 L449 T461 K462 Y464 L466 Y489 | V393-F453 HydrophobicContact CB-CE1 4Å; V393-F453 HydrophobicContact CB-CZ 4.16Å; V393-F453 HydrophobicContact CG2-CD1 3.55Å; V393-F453 HydrophobicContact CG2-CE1 3.39Å; V393-F453 HydrophobicContact CG2-CG 4.23Å; V393-F453 HydrophobicContact CG2-CZ 3.96Å; L449-F453 HydrophobicContact CB-CD2 4.28Å; L449-F453 HydrophobicContact CB-CE2 4.15Å; L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 2.88Å; F453-T461 CarbonylContact O-C 3.58Å; F453-T461 VanDerWaalsContact O-C 3.28Å; F453-T461 VanDerWaalsContact O-CB 3.26Å; F453-T461 WeakPolarHBondContact O-CB 3.03Å; F453-T461 PolarHBondContact O-OG1 3.06Å; F453-K462 PolarHBondContact O-N 3.35Å; F453-K462 VanDerWaalsContact O-N 3.12Å; F453-Y464 WeakPolarHBondContact CE1-O 3.47Å; F453-L466 HydrophobicContact CZ-CB 4.4Å; F453-L466 HydrophobicContact CZ-CD1 4.44Å; F453-Y489 HydrophobicContact CD2-CE1 4.43Å; F453-Y489 HydrophobicContact CE2-CD1 4.38Å; F453-Y489 AromaticContact CE2-CE1 3.47Å; F453-Y489 HydrophobicContact CE2-CE1 3.47Å; F453-Y489 VanDerWaalsContact CE2-CE1 3.47Å; F453-Y489 AromaticContact CE2-CZ 3.92Å; F453-Y489 HydrophobicContact CZ-CD1 4.31Å; F453-Y489 AromaticContact CZ-CE1 3.81Å; F453-Y489 HydrophobicContact CZ-CE1 3.81Å |
| 454 | G | 89.7 | Confident | 90 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S450 Q451 A452 D456 | S450-G454 PolarHBondContact O-N 3.42Å; Q451-G454 CarbonylContact O-C 3.59Å; Q451-G454 PolarHBondContact O-N 3.45Å; A452-G454 PolarHBondContact O-N 3.22Å; G454-D456 PolarHBondContact O-N 2.93Å |
| 455 | R | 84.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -40.8 | -164.6 | -170.8 | 64.2 | 175.2 | 165.6 | 4.6 | 114.9 | P337 G338 V369 V386 Q451 A452 | P337-R455 PolarHBondContact O-NH1 3.07Å; P337-R455 PolarHBondContact O-NH2 3.41Å; P337-R455 VanDerWaalsContact O-NH2 3.15Å; G338-R455 PolarHBondContact O-NH1 3.13Å; V369-R455 HydrophobicContact CG2-CG 4.15Å; V386-R455 HydrophobicContact CG2-CB 4.24Å; Q451-R455 PolarHBondContact O-N 3.2Å; Q451-R455 VanDerWaalsContact O-N 3.09Å; A452-R455 VanDerWaalsContact O-CB 3.27Å; A452-R455 WeakPolarHBondContact O-CB 3.3Å; A452-R455 PolarHBondContact O-N 2.83Å |
| 456 | D | 84.1 | Confident | 90.4 | Very high | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | 86.2 | 174 | -171.9 | -21.2 | 0 | 0 | 0 | 110.2 | G454 G458 R459 G460 T461 | G454-D456 PolarHBondContact O-N 2.93Å; D456-G458 PolarHBondContact O-N 3.03Å; D456-G458 WeakPolarHBondContact OD1-CA 3.49Å; D456-G458 PolarHBondContact OD1-N 3.01Å; D456-R459 HydrophobicContact CB-CB 4.18Å; D456-R459 HydrophobicContact CB-CG 4.43Å; D456-R459 PolarHBondContact O-N 3.18Å; D456-R459 PolarHBondContact OD1-N 3.35Å; D456-R459 WeakPolarHBondContact OD2-CD 3.37Å; D456-R459 WeakPolarHBondContact OD2-CG 3.32Å; D456-R459 IonicContact OD2-CZ 3.94Å; D456-R459 IonicContact OD2-NE 3.18Å; D456-R459 PolarHBondContact OD2-NE 3.3Å; D456-G460 PolarHBondContact O-N 2.92Å; D456-T461 HydrophobicContact CB-CG2 3.98Å; D456-T461 PolarHBondContact N-OG1 3.33Å; D456-T461 WeakPolarHBondContact O-CG2 3.35Å; D456-T461 PolarHBondContact O-N 3.1Å; D456-T461 VanDerWaalsContact O-N 3.1Å; D456-T461 PolarHBondContact O-OG1 3.1Å |
| 457 | L | 85.3 | Confident | 90.8 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 62% | 0.623 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.5 | 176 | -62.3 | 178.4 | 0 | 0 | 0 | 112.7 | G460 K462 | L457-G460 PolarHBondContact O-N 3.47Å; L457-G460 VanDerWaalsContact O-N 3.12Å; L457-K462 HydrophobicContact CD2-CB 4.33Å |
| 458 | G | 83.3 | Confident | 91.1 | Very high | 78 Ų | 78 | 50 Ų | 50 | 80% | 0.804 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D456 G460 | D456-G458 PolarHBondContact O-N 3.03Å; D456-G458 WeakPolarHBondContact OD1-CA 3.49Å; D456-G458 PolarHBondContact OD1-N 3.01Å; G458-G460 PolarHBondContact O-N 2.95Å |
| 459 | R | 86.1 | Confident | 91.3 | Very high | 136 Ų | 136 | 50 Ų | 50 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.8 | 168.3 | -68 | 178.2 | -172.6 | -174.9 | -2.7 | 113.7 | H388 D456 Y464 | H388-R459 PolarHBondContact CD2-NH1 3Å; H388-R459 VanDerWaalsContact CG-NH1 3.33Å; H388-R459 WeakPolarHBondContact ND1-CD 3.37Å; D456-R459 HydrophobicContact CB-CB 4.18Å; D456-R459 HydrophobicContact CB-CG 4.43Å; D456-R459 PolarHBondContact O-N 3.18Å; D456-R459 PolarHBondContact OD1-N 3.35Å; D456-R459 WeakPolarHBondContact OD2-CD 3.37Å; D456-R459 WeakPolarHBondContact OD2-CG 3.32Å; D456-R459 IonicContact OD2-CZ 3.94Å; D456-R459 IonicContact OD2-NE 3.18Å; D456-R459 PolarHBondContact OD2-NE 3.3Å; R459-Y464 PolarHBondContact O-OH 3.03Å |
| 460 | G | 88.1 | Confident | 91.5 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D456 L457 G458 K462 H463 Y464 | D456-G460 PolarHBondContact O-N 2.92Å; L457-G460 PolarHBondContact O-N 3.47Å; L457-G460 VanDerWaalsContact O-N 3.12Å; G458-G460 PolarHBondContact O-N 2.95Å; G460-K462 PolarHBondContact O-N 2.87Å; G460-H463 PolarHBondContact O-N 2.84Å; G460-Y464 WeakPolarHBondContact O-CD1 3.43Å |
| 461 | T | 89.5 | Confident | 91.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -52.1 | -28.5 | -178.9 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | V386 F453 D456 H463 Y464 | V386-T461 HydrophobicContact CG1-CG2 4.03Å; F453-T461 CarbonylContact O-C 3.58Å; F453-T461 VanDerWaalsContact O-C 3.28Å; F453-T461 VanDerWaalsContact O-CB 3.26Å; F453-T461 WeakPolarHBondContact O-CB 3.03Å; F453-T461 PolarHBondContact O-OG1 3.06Å; D456-T461 HydrophobicContact CB-CG2 3.98Å; D456-T461 PolarHBondContact N-OG1 3.33Å; D456-T461 WeakPolarHBondContact O-CG2 3.35Å; D456-T461 PolarHBondContact O-N 3.1Å; D456-T461 VanDerWaalsContact O-N 3.1Å; D456-T461 PolarHBondContact O-OG1 3.1Å; T461-H463 PolarHBondContact O-N 3.16Å; T461-Y464 HydrophobicContact CG2-CD2 4.21Å; T461-Y464 HydrophobicContact CG2-CE1 4.39Å; T461-Y464 HydrophobicContact CG2-CE2 3.76Å; T461-Y464 WeakPolarHBondContact O-CB 3.42Å; T461-Y464 PolarHBondContact O-N 2.91Å |
| 462 | K | 90.3 | Very high | 92 | Very high | 154 Ų | 154 | 43.2 Ų | 43.2 | 67% | 0.67 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -55.9 | -21.3 | 174.5 | -173.3 | 174.6 | 179.5 | -179.5 | 0 | 114.4 | F453 L457 G460 | F453-K462 PolarHBondContact O-N 3.35Å; F453-K462 VanDerWaalsContact O-N 3.12Å; L457-K462 HydrophobicContact CD2-CB 4.33Å; G460-K462 PolarHBondContact O-N 2.87Å |
| 463 | H | 91.1 | Very high | 92 | Very high | 165 Ų | 165 | 43.2 Ų | 43.2 | 76% | 0.764 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -106.1 | 12.6 | 179.8 | -59.5 | -69.6 | 0 | 0 | 0 | 113.5 | G460 T461 | G460-H463 PolarHBondContact O-N 2.84Å; T461-H463 PolarHBondContact O-N 3.16Å |
| 464 | Y | 95.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 7% | 0.071 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 150.4 | 179.7 | -74.4 | 19.4 | 0 | 0 | 0 | 110.6 | V386 H388 K391 F453 R459 G460 T461 | V386-Y464 HydrophobicContact CG1-CD2 3.94Å; V386-Y464 HydrophobicContact CG1-CE2 3.75Å; H388-Y464 AromaticContact ND1-CE2 3.61Å; H388-Y464 AromaticContact ND1-CZ 3.68Å; H388-Y464 PolarHBondContact ND1-OH 2.8Å; K391-Y464 VanDerWaalsContact C-CD2 3.42Å; K391-Y464 HydrophobicContact CB-CD1 3.67Å; K391-Y464 HydrophobicContact CB-CD2 4.34Å; K391-Y464 HydrophobicContact CB-CE1 3.74Å; K391-Y464 HydrophobicContact CB-CE2 4.38Å; K391-Y464 HydrophobicContact CB-CG 4.01Å; K391-Y464 HydrophobicContact CD-CE1 4.26Å; K391-Y464 HydrophobicContact CG-CD1 4.31Å; K391-Y464 HydrophobicContact CG-CE1 3.86Å; K391-Y464 VanDerWaalsContact O-CA 3.31Å; K391-Y464 WeakPolarHBondContact O-CA 3.37Å; K391-Y464 VanDerWaalsContact O-CB 3.32Å; K391-Y464 WeakPolarHBondContact O-CB 3.13Å; F453-Y464 WeakPolarHBondContact CE1-O 3.47Å; R459-Y464 PolarHBondContact O-OH 3.03Å; G460-Y464 WeakPolarHBondContact O-CD1 3.43Å; T461-Y464 HydrophobicContact CG2-CD2 4.21Å; T461-Y464 HydrophobicContact CG2-CE1 4.39Å; T461-Y464 HydrophobicContact CG2-CE2 3.76Å; T461-Y464 WeakPolarHBondContact O-CB 3.42Å; T461-Y464 PolarHBondContact O-N 2.91Å |
| 465 | G | 96 | Very high | 92.6 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 150.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K391 K392 V393 | K391-G465 PolarHBondContact O-N 3.25Å; K392-G465 CarbonylContact C-O 3.5Å; K392-G465 WeakPolarHBondContact CA-O 3.46Å; K392-G465 WeakPolarHBondContact CD-O 3.47Å; V393-G465 PolarHBondContact N-O 3.38Å |
| 466 | L | 97.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.5 | 175.8 | -169.2 | 51.9 | 0 | 0 | 0 | 111.1 | V393 I395 L449 F453 L485 Y489 L492 K493 | V393-L466 HydrophobicContact CB-CD1 4.02Å; V393-L466 HydrophobicContact CG1-CD1 3.97Å; I395-L466 HydrophobicContact CD1-CD1 3.96Å; I395-L466 HydrophobicContact CD1-CD2 4.43Å; I395-L466 HydrophobicContact CD1-CG 4.49Å; I395-L466 HydrophobicContact CG1-CD1 4.12Å; L449-L466 HydrophobicContact CD1-CD2 4.33Å; L449-L466 HydrophobicContact CD2-CD1 4.27Å; F453-L466 HydrophobicContact CZ-CB 4.4Å; F453-L466 HydrophobicContact CZ-CD1 4.44Å; L466-L485 HydrophobicContact CD2-CD1 4.32Å; L466-Y489 HydrophobicContact CB-CD1 4.44Å; L466-Y489 HydrophobicContact CD2-CD1 3.98Å; L466-Y489 HydrophobicContact CD2-CD2 3.68Å; L466-Y489 HydrophobicContact CD2-CE1 4.35Å; L466-Y489 HydrophobicContact CD2-CE2 4.1Å; L466-Y489 HydrophobicContact CD2-CG 3.63Å; L466-L492 HydrophobicContact CD2-CD1 4.01Å; L466-L492 HydrophobicContact CG-CD1 4.16Å; L466-L492 WeakPolarHBondContact O-CA 3.48Å; L466-K493 PolarHBondContact O-N 2.95Å |
| 467 | I | 98.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.9 | 172 | -56.2 | -60.7 | 0 | 0 | 0 | 108.1 | Y295 K392 V393 V394 I395 K493 F495 | Y295-I467 HydrophobicContact CD1-CG2 4.19Å; Y295-I467 HydrophobicContact CE1-CG1 4.23Å; Y295-I467 HydrophobicContact CE1-CG2 4.26Å; Y295-I467 HydrophobicContact CG-CG2 4.5Å; K392-I467 HydrophobicContact CB-CG1 3.98Å; K392-I467 HydrophobicContact CD-CD1 4.11Å; K392-I467 HydrophobicContact CD-CG1 3.92Å; K392-I467 HydrophobicContact CG-CD1 4.44Å; K392-I467 HydrophobicContact CG-CG1 3.84Å; V393-I467 PolarHBondContact O-N 2.95Å; V394-I467 WeakPolarHBondContact CA-O 3.29Å; V394-I467 HydrophobicContact CG1-CB 4.4Å; V394-I467 HydrophobicContact CG1-CG2 4.32Å; V394-I467 HydrophobicContact CG2-CB 4.25Å; I395-I467 PolarHBondContact N-O 3.27Å; I467-K493 WeakPolarHBondContact CA-O 3.45Å; I467-K493 HydrophobicContact CD1-CB 3.95Å; I467-K493 HydrophobicContact CD1-CD 4.44Å; I467-F495 HydrophobicContact CD1-CE2 4.39Å; I467-F495 HydrophobicContact CG2-CD2 3.89Å; I467-F495 HydrophobicContact CG2-CE2 4.23Å |
| 468 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.5 | 165.9 | -160.4 | 0 | 0 | 0 | 0 | 108.4 | I395 I397 A478 L481 S482 L492 K493 C494 F495 | I395-V468 HydrophobicContact CB-CG1 4.31Å; I395-V468 HydrophobicContact CD1-CG2 4.35Å; I395-V468 HydrophobicContact CG2-CG1 4.47Å; I395-V468 CarbonylContact O-C 2.92Å; I395-V468 WeakPolarHBondContact O-CA 3.48Å; I397-V468 HydrophobicContact CD1-CG1 4.3Å; V468-A478 HydrophobicContact CG1-CB 3.7Å; V468-L481 HydrophobicContact CG1-CD2 4.1Å; V468-S482 WeakPolarHBondContact CB-OG 3.5Å; V468-S482 WeakPolarHBondContact CG2-OG 3.41Å; V468-L492 HydrophobicContact CG2-CD1 3.83Å; V468-L492 HydrophobicContact CG2-CD2 4.18Å; V468-L492 HydrophobicContact CG2-CG 4.16Å; V468-K493 PolarHBondContact N-O 3.44Å; V468-C494 VanDerWaalsContact O-CA 3.28Å; V468-C494 WeakPolarHBondContact O-CA 3.46Å; V468-F495 PolarHBondContact O-N 3.22Å |
| 469 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 147.2 | -176.2 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | F298 A299 V394 I395 S396 I397 F495 Y497 | F298-V469 HydrophobicContact CB-CG1 3.84Å; A299-V469 HydrophobicContact CB-CG2 4.08Å; V394-V469 HydrophobicContact CG1-CG1 3.63Å; I395-V469 WeakPolarHBondContact O-CG1 3.47Å; I395-V469 PolarHBondContact O-N 2.92Å; S396-V469 WeakPolarHBondContact CA-O 3.38Å; I397-V469 PolarHBondContact N-O 2.85Å; V469-F495 WeakPolarHBondContact CA-O 3.39Å; V469-F495 HydrophobicContact CG2-CB 4.09Å; V469-Y497 HydrophobicContact CG2-CD2 4.24Å; V469-Y497 HydrophobicContact CG2-CE2 3.64Å |
| 470 | G | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 170.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A475 F495 Y497 | G470-A475 WeakPolarHBondContact O-CB 3.41Å; G470-F495 PolarHBondContact N-O 2.86Å; G470-Y497 WeakPolarHBondContact O-CD2 3.47Å; G470-Y497 PolarHBondContact O-N 3.49Å |
| 471 | H | 97 | Very high | 96 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.9 | 179.7 | 177.8 | -95.7 | 0 | 0 | 0 | 110.8 | A299 Y303 G399 L473 G474 A475 Y497 H650 | A299-H471 HydrophobicContact CB-CB 4.37Å; Y303-H471 HydrophobicContact CE2-CB 4.17Å; Y303-H471 AromaticContact CZ-ND1 3.9Å; Y303-H471 PolarHBondContact OH-ND1 2.73Å; G399-H471 WeakPolarHBondContact CA-O 3.39Å; H471-L473 PolarHBondContact O-N 3.34Å; H471-G474 WeakPolarHBondContact O-CA 3.38Å; H471-G474 PolarHBondContact O-N 3.1Å; H471-A475 PolarHBondContact O-N 3.35Å; H471-Y497 CarbonylContact C-O 3.5Å; H471-Y497 VanDerWaalsContact CA-O 3.3Å; H471-Y497 WeakPolarHBondContact CA-O 3.46Å; H471-Y497 PolarHBondContact CD2-O 3.15Å; H471-H650 AromaticContact CE1-CE1 3.83Å; H471-H650 AromaticContact CE1-NE2 3.72Å; H471-H650 PolarHBondContact CE1-O 3.08Å; H471-H650 PolarHBondContact NE2-O 3.25Å |
| 472 | S | 94.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -126.6 | 178.2 | -164.8 | 0 | 0 | 0 | 0 | 112.5 | G474 A475 G476 Y497 S498 H650 | S472-G474 PolarHBondContact O-N 3.1Å; S472-A475 WeakPolarHBondContact O-CA 3.29Å; S472-A475 VanDerWaalsContact O-CB 3.26Å; S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.91Å; S472-G476 PolarHBondContact O-N 3.07Å; S472-G476 VanDerWaalsContact O-N 3.12Å; S472-Y497 PolarHBondContact N-O 3.07Å; S472-S498 WeakPolarHBondContact CA-O 3.27Å; S472-H650 WeakPolarHBondContact CB-NE2 3.37Å; S472-H650 PolarHBondContact OG-CE1 3.48Å; S472-H650 PolarHBondContact OG-NE2 2.67Å |
| 473 | L | 93.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -38.1 | -52.9 | 164.8 | 171.1 | 55.8 | 0 | 0 | 0 | 112.5 | T380 T400 D405 T408 D409 M432 H471 A475 G476 T477 | T380-L473 HydrophobicContact CG2-CD2 4.21Å; T380-L473 HydrophobicContact CG2-CG 4.46Å; T400-L473 WeakPolarHBondContact OG1-CB 3.31Å; D405-L473 HydrophobicContact CB-CD2 3.59Å; T408-L473 HydrophobicContact CG2-CD1 4.03Å; D409-L473 WeakPolarHBondContact OD1-CB 3.45Å; M432-L473 HydrophobicContact CE-CD1 3.72Å; M432-L473 HydrophobicContact CG-CD1 3.74Å; M432-L473 HydrophobicContact SD-CD1 4.14Å; H471-L473 PolarHBondContact O-N 3.34Å; L473-A475 VanDerWaalsContact C-N 3.26Å; L473-A475 PolarHBondContact O-N 3.44Å; L473-G476 PolarHBondContact O-N 2.9Å; L473-G476 VanDerWaalsContact O-N 3.11Å; L473-T477 PolarHBondContact O-N 2.95Å; L473-T477 PolarHBondContact O-OG1 3.12Å |
| 474 | G | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -64.6 | -26.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R398 H471 S472 A478 | R398-G474 VanDerWaalsContact O-CA 3.25Å; R398-G474 WeakPolarHBondContact O-CA 3.2Å; R398-G474 PolarHBondContact O-N 3.15Å; H471-G474 WeakPolarHBondContact O-CA 3.38Å; H471-G474 PolarHBondContact O-N 3.1Å; S472-G474 PolarHBondContact O-N 3.1Å; G474-A478 WeakPolarHBondContact O-CB 3.28Å; G474-A478 PolarHBondContact O-N 3.41Å |
| 475 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -73.1 | -38.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G470 H471 S472 L473 A479 A496 Y497 P499 | G470-A475 WeakPolarHBondContact O-CB 3.41Å; H471-A475 PolarHBondContact O-N 3.35Å; S472-A475 WeakPolarHBondContact O-CA 3.29Å; S472-A475 VanDerWaalsContact O-CB 3.26Å; S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.91Å; L473-A475 VanDerWaalsContact C-N 3.26Å; L473-A475 PolarHBondContact O-N 3.44Å; A475-A479 WeakPolarHBondContact O-CB 3.46Å; A475-A479 PolarHBondContact O-N 3.08Å; A475-A496 HydrophobicContact CB-CB 4.01Å; A475-Y497 VanDerWaalsContact CB-O 3.31Å; A475-Y497 WeakPolarHBondContact CB-O 3.39Å; A475-P499 HydrophobicContact CB-CB 3.94Å |
| 476 | G | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -65.9 | -50.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | S472 L473 A478 A479 I480 | S472-G476 PolarHBondContact O-N 3.07Å; S472-G476 VanDerWaalsContact O-N 3.12Å; L473-G476 PolarHBondContact O-N 2.9Å; L473-G476 VanDerWaalsContact O-N 3.11Å; G476-A478 VanDerWaalsContact C-N 3.32Å; G476-A478 PolarHBondContact O-N 2.94Å; G476-A479 PolarHBondContact O-N 3.01Å; G476-I480 PolarHBondContact O-N 3.23Å |
| 477 | T | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | I397 A436 I439 L473 I480 L481 | I397-T477 HydrophobicContact CD1-CG2 3.99Å; I397-T477 HydrophobicContact CG2-CG2 4.36Å; A436-T477 HydrophobicContact CB-CG2 4.14Å; I439-T477 HydrophobicContact CD1-CG2 3.95Å; L473-T477 PolarHBondContact O-N 2.95Å; L473-T477 PolarHBondContact O-OG1 3.12Å; T477-I480 PolarHBondContact O-N 3.38Å; T477-L481 VanDerWaalsContact O-CB 3.23Å; T477-L481 WeakPolarHBondContact O-CB 3.24Å; T477-L481 PolarHBondContact O-N 2.89Å |
| 478 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I397 V468 G474 G476 S482 | I397-A478 HydrophobicContact CD1-CB 4.03Å; V468-A478 HydrophobicContact CG1-CB 3.7Å; G474-A478 WeakPolarHBondContact O-CB 3.28Å; G474-A478 PolarHBondContact O-N 3.41Å; G476-A478 VanDerWaalsContact C-N 3.32Å; G476-A478 PolarHBondContact O-N 2.94Å; A478-S482 WeakPolarHBondContact O-CB 3.45Å; A478-S482 PolarHBondContact O-N 3.48Å; A478-S482 VanDerWaalsContact O-N 3.09Å; A478-S482 PolarHBondContact O-OG 2.83Å |
| 479 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A475 G476 S482 F483 L503 V516 P602 | A475-A479 WeakPolarHBondContact O-CB 3.46Å; A475-A479 PolarHBondContact O-N 3.08Å; G476-A479 PolarHBondContact O-N 3.01Å; A479-S482 WeakPolarHBondContact O-CB 3.46Å; A479-S482 PolarHBondContact O-N 3.39Å; A479-F483 VanDerWaalsContact O-CD2 3.29Å; A479-F483 WeakPolarHBondContact O-CD2 3.42Å; A479-F483 PolarHBondContact O-N 2.95Å; A479-L503 HydrophobicContact CB-CD2 3.95Å; A479-V516 HydrophobicContact CB-CG1 4.41Å; A479-V516 HydrophobicContact CB-CG2 4.42Å; A479-P602 HydrophobicContact CB-CB 3.95Å; A479-P602 HydrophobicContact CB-CG 3.86Å |
| 480 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.7 | -48.1 | 178.8 | -66.1 | 169.8 | 0 | 0 | 0 | 111.9 | L417 M432 V433 A436 G476 T477 S482 F483 L484 L503 L504 | L417-I480 HydrophobicContact CD2-CB 4.38Å; L417-I480 HydrophobicContact CD2-CG1 4.2Å; L417-I480 HydrophobicContact CD2-CG2 3.48Å; L417-I480 VanDerWaalsContact CD2-CG2 3.48Å; M432-I480 HydrophobicContact CB-CD1 3.77Å; V433-I480 HydrophobicContact CG2-CD1 3.98Å; V433-I480 HydrophobicContact CG2-CG2 4.45Å; A436-I480 HydrophobicContact CB-CB 4.03Å; A436-I480 HydrophobicContact CB-CG2 3.61Å; G476-I480 PolarHBondContact O-N 3.23Å; T477-I480 PolarHBondContact O-N 3.38Å; I480-S482 PolarHBondContact O-N 3.44Å; I480-S482 VanDerWaalsContact O-N 3.11Å; I480-F483 WeakPolarHBondContact O-CB 3.45Å; I480-F483 PolarHBondContact O-N 2.97Å; I480-L484 PolarHBondContact O-N 3.07Å; I480-L503 HydrophobicContact CD1-CD1 3.87Å; I480-L503 HydrophobicContact CD1-CG 4.41Å; I480-L503 HydrophobicContact CG1-CD1 4.46Å; I480-L504 HydrophobicContact CG1-CD2 4.12Å |
| 481 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.4 | -33.7 | 175.6 | 178.9 | 63.9 | 0 | 0 | 0 | 111.7 | I395 I397 A436 I439 K440 L443 V468 T477 F483 L484 L485 | I395-L481 HydrophobicContact CD1-CD2 4.49Å; I395-L481 HydrophobicContact CG2-CD2 4.21Å; I397-L481 HydrophobicContact CD1-CD2 3.93Å; A436-L481 HydrophobicContact CB-CB 4.04Å; I439-L481 HydrophobicContact CB-CD2 4.34Å; I439-L481 HydrophobicContact CG2-CD1 4.46Å; I439-L481 HydrophobicContact CG2-CD2 3.63Å; K440-L481 HydrophobicContact CB-CD1 3.87Å; L443-L481 HydrophobicContact CD1-CD2 4.42Å; V468-L481 HydrophobicContact CG1-CD2 4.1Å; T477-L481 VanDerWaalsContact O-CB 3.23Å; T477-L481 WeakPolarHBondContact O-CB 3.24Å; T477-L481 PolarHBondContact O-N 2.89Å; L481-F483 PolarHBondContact O-N 3.38Å; L481-L484 PolarHBondContact O-N 2.96Å; L481-L484 VanDerWaalsContact O-N 3.12Å; L481-L485 HydrophobicContact CD1-CD1 3.95Å; L481-L485 HydrophobicContact CD1-CG 4Å; L481-L485 HydrophobicContact CD2-CD1 4.27Å; L481-L485 HydrophobicContact CG-CD1 3.82Å; L481-L485 HydrophobicContact CG-CG 4.22Å; L481-L485 WeakPolarHBondContact O-CG 3.49Å; L481-L485 PolarHBondContact O-N 3.47Å |
| 482 | S | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -34.3 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | V468 A478 A479 I480 R486 C494 | V468-S482 WeakPolarHBondContact CB-OG 3.5Å; V468-S482 WeakPolarHBondContact CG2-OG 3.41Å; A478-S482 WeakPolarHBondContact O-CB 3.45Å; A478-S482 PolarHBondContact O-N 3.48Å; A478-S482 VanDerWaalsContact O-N 3.09Å; A478-S482 PolarHBondContact O-OG 2.83Å; A479-S482 WeakPolarHBondContact O-CB 3.46Å; A479-S482 PolarHBondContact O-N 3.39Å; I480-S482 PolarHBondContact O-N 3.44Å; I480-S482 VanDerWaalsContact O-N 3.11Å; S482-R486 VanDerWaalsContact O-CB 3.25Å; S482-R486 WeakPolarHBondContact O-CB 3.22Å; S482-R486 PolarHBondContact O-N 2.9Å; S482-R486 VanDerWaalsContact O-N 3.07Å; S482-C494 VanDerWaalsContact OG-CB 3.32Å; S482-C494 WeakPolarHBondContact OG-CB 3.36Å |
| 483 | F | 95.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 169.2 | -75.7 | -107.5 | 0 | 0 | 0 | 111 | V419 W426 A479 I480 L481 L485 P487 L504 A508 Y511 F515 | V419-F483 HydrophobicContact CG2-CB 3.93Å; V419-F483 HydrophobicContact CG2-CD1 4.49Å; W426-F483 HydrophobicContact CD2-CE1 4.48Å; W426-F483 AromaticContact CE3-CD1 3.88Å; W426-F483 HydrophobicContact CE3-CD1 3.88Å; W426-F483 AromaticContact CE3-CE1 3.79Å; W426-F483 HydrophobicContact CE3-CE1 3.79Å; W426-F483 HydrophobicContact CH2-CE1 4.41Å; W426-F483 AromaticContact CZ3-CD1 3.73Å; W426-F483 HydrophobicContact CZ3-CD1 3.73Å; W426-F483 AromaticContact CZ3-CE1 3.76Å; W426-F483 HydrophobicContact CZ3-CE1 3.76Å; A479-F483 VanDerWaalsContact O-CD2 3.29Å; A479-F483 WeakPolarHBondContact O-CD2 3.42Å; A479-F483 PolarHBondContact O-N 2.95Å; I480-F483 WeakPolarHBondContact O-CB 3.45Å; I480-F483 PolarHBondContact O-N 2.97Å; L481-F483 PolarHBondContact O-N 3.38Å; F483-L485 VanDerWaalsContact C-N 3.33Å; F483-L485 PolarHBondContact O-N 3.46Å; F483-P487 VanDerWaalsContact O-CD 3.24Å; F483-P487 WeakPolarHBondContact O-CD 3.47Å; F483-L504 HydrophobicContact CE2-CD1 3.84Å; F483-L504 HydrophobicContact CE2-CD2 4.26Å; F483-L504 HydrophobicContact CZ-CD1 3.93Å; F483-A508 HydrophobicContact CE1-CB 4.15Å; F483-A508 HydrophobicContact CZ-CB 4.03Å; F483-A508 WeakPolarHBondContact CZ-O 3.48Å; F483-Y511 HydrophobicContact CD1-CD1 4.05Å; F483-Y511 HydrophobicContact CD1-CE1 4.18Å; F483-Y511 AromaticContact CE1-CD1 3.6Å; F483-Y511 HydrophobicContact CE1-CD1 3.6Å; F483-Y511 HydrophobicContact CE1-CE1 4.2Å; F483-Y511 HydrophobicContact CZ-CD1 4.34Å; F483-F515 HydrophobicContact CD1-CZ 4.34Å; F483-F515 HydrophobicContact CD2-CE2 4.23Å; F483-F515 AromaticContact CD2-CZ 3.86Å; F483-F515 HydrophobicContact CD2-CZ 3.86Å; F483-F515 HydrophobicContact CE1-CZ 4.39Å; F483-F515 HydrophobicContact CE2-CE2 4.44Å; F483-F515 AromaticContact CE2-CZ 3.89Å; F483-F515 HydrophobicContact CE2-CZ 3.89Å; F483-F515 HydrophobicContact CG-CZ 4.08Å; F483-F515 HydrophobicContact CZ-CZ 4.17Å |
| 484 | L | 94.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.1 | -29.6 | -173.1 | -45 | -172.2 | 0 | 0 | 0 | 112.5 | P418 V419 A436 E437 K440 I480 L481 | P418-L484 HydrophobicContact CG-CD1 4.23Å; P418-L484 HydrophobicContact CG-CD2 3.77Å; V419-L484 HydrophobicContact CG2-CD2 3.91Å; A436-L484 HydrophobicContact CB-CD1 4.14Å; E437-L484 HydrophobicContact CG-CD1 4.36Å; K440-L484 HydrophobicContact CD-CB 3.85Å; K440-L484 HydrophobicContact CD-CD1 4.24Å; I480-L484 PolarHBondContact O-N 3.07Å; L481-L484 PolarHBondContact O-N 2.96Å; L481-L484 VanDerWaalsContact O-N 3.12Å |
| 485 | L | 95.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -90.6 | -23.1 | 178.6 | -64.8 | 179.9 | 0 | 0 | 0 | 113.7 | I395 L443 L466 L481 F483 P487 Q488 Y489 L492 | I395-L485 HydrophobicContact CD1-CD1 3.7Å; L443-L485 HydrophobicContact CD1-CD1 4.43Å; L466-L485 HydrophobicContact CD2-CD1 4.32Å; L481-L485 HydrophobicContact CD1-CD1 3.95Å; L481-L485 HydrophobicContact CD1-CG 4Å; L481-L485 HydrophobicContact CD2-CD1 4.27Å; L481-L485 HydrophobicContact CG-CD1 3.82Å; L481-L485 HydrophobicContact CG-CG 4.22Å; L481-L485 WeakPolarHBondContact O-CG 3.49Å; L481-L485 PolarHBondContact O-N 3.47Å; F483-L485 VanDerWaalsContact C-N 3.33Å; F483-L485 PolarHBondContact O-N 3.46Å; L485-P487 VanDerWaalsContact C-CD 3.46Å; L485-Q488 PolarHBondContact O-N 3.37Å; L485-Y489 HydrophobicContact CB-CD2 4.35Å; L485-Y489 PolarHBondContact O-N 3.11Å; L485-L492 HydrophobicContact CB-CD1 3.79Å |
| 486 | R | 92.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 28 Ų | 28 | 14% | 0.143 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.7 | -176.4 | -166.7 | 172.5 | -171.4 | -147.3 | 0.2 | 115.3 | S482 Q488 Y489 P490 Y511 E514 F515 | S482-R486 VanDerWaalsContact O-CB 3.25Å; S482-R486 WeakPolarHBondContact O-CB 3.22Å; S482-R486 PolarHBondContact O-N 2.9Å; S482-R486 VanDerWaalsContact O-N 3.07Å; R486-Q488 VanDerWaalsContact C-N 3.26Å; R486-Q488 PolarHBondContact O-N 2.76Å; R486-Y489 CarbonylContact O-C 3.59Å; R486-Y489 PolarHBondContact O-N 3.27Å; R486-P490 WeakPolarHBondContact O-CA 3.45Å; R486-Y511 PolarHBondContact NH1-OH 3.37Å; R486-E514 IonicContact CZ-OE2 3.23Å; R486-E514 IonicContact NH1-OE2 3.25Å; R486-E514 PolarHBondContact NH1-OE2 2.99Å; R486-E514 IonicContact NH2-OE2 3.25Å; R486-E514 PolarHBondContact NH2-OE2 2.71Å; R486-F515 VanDerWaalsContact NH1-CD1 3.33Å |
| 487 | P | 90.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 54% | 0.539 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.4 | 172.6 | -27 | 35.8 | 0 | 0 | 0 | 113.7 | F483 L485 | F483-P487 VanDerWaalsContact O-CD 3.24Å; F483-P487 WeakPolarHBondContact O-CD 3.47Å; L485-P487 VanDerWaalsContact C-CD 3.46Å |
| 488 | Q | 90.8 | Very high | 95.8 | Very high | 101 Ų | 101 | 28.1 Ų | 28.1 | 47% | 0.472 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -31.5 | 176 | -60 | 178.3 | 14.7 | 0 | 0 | 112 | E444 L485 R486 | E444-Q488 PolarHBondContact OE1-NE2 2.97Å; L485-Q488 PolarHBondContact O-N 3.37Å; R486-Q488 VanDerWaalsContact C-N 3.26Å; R486-Q488 PolarHBondContact O-N 2.76Å |
| 489 | Y | 93.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | trans | -128.1 | 75.5 | -176 | -58.2 | -85.4 | 0 | 0 | 0 | 112 | L449 F453 L466 L485 R486 T491 L492 | L449-Y489 HydrophobicContact CD1-CE2 3.95Å; F453-Y489 HydrophobicContact CD2-CE1 4.43Å; F453-Y489 HydrophobicContact CE2-CD1 4.38Å; F453-Y489 AromaticContact CE2-CE1 3.47Å; F453-Y489 HydrophobicContact CE2-CE1 3.47Å; F453-Y489 VanDerWaalsContact CE2-CE1 3.47Å; F453-Y489 AromaticContact CE2-CZ 3.92Å; F453-Y489 HydrophobicContact CZ-CD1 4.31Å; F453-Y489 AromaticContact CZ-CE1 3.81Å; F453-Y489 HydrophobicContact CZ-CE1 3.81Å; L466-Y489 HydrophobicContact CB-CD1 4.44Å; L466-Y489 HydrophobicContact CD2-CD1 3.98Å; L466-Y489 HydrophobicContact CD2-CD2 3.68Å; L466-Y489 HydrophobicContact CD2-CE1 4.35Å; L466-Y489 HydrophobicContact CD2-CE2 4.1Å; L466-Y489 HydrophobicContact CD2-CG 3.63Å; L485-Y489 HydrophobicContact CB-CD2 4.35Å; L485-Y489 PolarHBondContact O-N 3.11Å; R486-Y489 CarbonylContact O-C 3.59Å; R486-Y489 PolarHBondContact O-N 3.27Å; Y489-T491 PolarHBondContact O-N 3.17Å; Y489-L492 WeakPolarHBondContact O-CB 3.38Å; Y489-L492 PolarHBondContact O-N 3.41Å | ||
| 490 | P | 92.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 28.7 Ų | 28.7 | 58% | 0.584 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.1 | -172.1 | -26.7 | 36.4 | 0 | 0 | 0 | 115.7 | R486 | R486-P490 WeakPolarHBondContact O-CA 3.45Š|
| 491 | T | 94.3 | Very high | 95 | Very high | 118 Ų | 118 | 28.8 Ų | 28.8 | 72% | 0.724 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 7.9 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | Y489 | Y489-T491 PolarHBondContact O-N 3.17Š|
| 492 | L | 96.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | trans | -57.7 | 140.6 | 175.2 | 178.9 | 157.6 | 0 | 0 | 0 | 111.4 | L466 V468 L485 Y489 F515 | L466-L492 HydrophobicContact CD2-CD1 4.01Å; L466-L492 HydrophobicContact CG-CD1 4.16Å; L466-L492 WeakPolarHBondContact O-CA 3.48Å; V468-L492 HydrophobicContact CG2-CD1 3.83Å; V468-L492 HydrophobicContact CG2-CD2 4.18Å; V468-L492 HydrophobicContact CG2-CG 4.16Å; L485-L492 HydrophobicContact CB-CD1 3.79Å; Y489-L492 WeakPolarHBondContact O-CB 3.38Å; Y489-L492 PolarHBondContact O-N 3.41Å; L492-F515 HydrophobicContact CD2-CD2 4.26Å | ||
| 493 | K | 97.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 29 Ų | 29 | 34% | 0.339 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 153.6 | 163.9 | -62.7 | 178.1 | 178.1 | 174.3 | 0 | 110.3 | E291 L466 I467 V468 F495 F515 | E291-K493 IonicContact OE1-NZ 3.4Å; E291-K493 PolarHBondContact OE1-NZ 2.83Å; E291-K493 IonicContact OE2-NZ 3.24Å; E291-K493 PolarHBondContact OE2-NZ 3.45Å; L466-K493 PolarHBondContact O-N 2.95Å; I467-K493 WeakPolarHBondContact CA-O 3.45Å; I467-K493 HydrophobicContact CD1-CB 3.95Å; I467-K493 HydrophobicContact CD1-CD 4.44Å; V468-K493 PolarHBondContact N-O 3.44Å; K493-F495 HydrophobicContact CB-CE2 4.45Å; K493-F495 HydrophobicContact CD-CE2 4.45Å; K493-F495 HydrophobicContact CD-CZ 4.34Å; K493-F515 WeakPolarHBondContact CA-O 3.36Å |
| 494 | C | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139 | 171 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | V468 S482 F515 V516 T517 | V468-C494 VanDerWaalsContact O-CA 3.28Å; V468-C494 WeakPolarHBondContact O-CA 3.46Å; S482-C494 VanDerWaalsContact OG-CB 3.32Å; S482-C494 WeakPolarHBondContact OG-CB 3.36Å; C494-F515 PolarHBondContact N-O 3.01Å; C494-V516 HydrophobicContact CB-CB 4.28Å; C494-V516 HydrophobicContact CB-CG1 4.17Å; C494-V516 HydrophobicContact CB-CG2 3.96Å; C494-T517 PolarHBondContact O-N 2.8Å |
| 495 | F | 98.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.3 | 169.7 | -65.5 | -81.8 | 0 | 0 | 0 | 109.6 | E291 V292 Y295 I467 V468 V469 G470 K493 Y497 T517 | E291-F495 HydrophobicContact CB-CE1 4.37Å; E291-F495 HydrophobicContact CB-CZ 4Å; V292-F495 HydrophobicContact CG2-CD1 3.92Å; V292-F495 HydrophobicContact CG2-CE1 3.75Å; Y295-F495 AromaticContact CD2-CD2 3.52Å; Y295-F495 HydrophobicContact CD2-CD2 3.52Å; Y295-F495 HydrophobicContact CD2-CE1 4.41Å; Y295-F495 AromaticContact CD2-CE2 3.2Å; Y295-F495 HydrophobicContact CD2-CE2 3.2Å; Y295-F495 HydrophobicContact CD2-CG 4.27Å; Y295-F495 AromaticContact CD2-CZ 3.7Å; Y295-F495 HydrophobicContact CD2-CZ 3.7Å; Y295-F495 HydrophobicContact CE2-CD2 4.25Å; Y295-F495 AromaticContact CE2-CE2 3.53Å; Y295-F495 HydrophobicContact CE2-CE2 3.53Å; Y295-F495 HydrophobicContact CE2-CZ 4.01Å; Y295-F495 AromaticContact CG-CD2 3.85Å; Y295-F495 HydrophobicContact CG-CD2 3.85Å; Y295-F495 AromaticContact CG-CE2 3.98Å; Y295-F495 HydrophobicContact CG-CE2 3.98Å; I467-F495 HydrophobicContact CD1-CE2 4.39Å; I467-F495 HydrophobicContact CG2-CD2 3.89Å; I467-F495 HydrophobicContact CG2-CE2 4.23Å; V468-F495 PolarHBondContact O-N 3.22Å; V469-F495 WeakPolarHBondContact CA-O 3.39Å; V469-F495 HydrophobicContact CG2-CB 4.09Å; G470-F495 PolarHBondContact N-O 2.86Å; K493-F495 HydrophobicContact CB-CE2 4.45Å; K493-F495 HydrophobicContact CD-CE2 4.45Å; K493-F495 HydrophobicContact CD-CZ 4.34Å; F495-Y497 HydrophobicContact CB-CE2 3.8Å; F495-Y497 WeakPolarHBondContact CB-OH 3.4Å; F495-T517 WeakPolarHBondContact CA-O 3.45Å |
| 496 | A | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A475 P499 V516 T517 A518 V519 | A475-A496 HydrophobicContact CB-CB 4.01Å; A496-P499 HydrophobicContact CB-CB 4.32Å; A496-P499 HydrophobicContact CB-CG 4.22Å; A496-V516 HydrophobicContact CB-CG1 3.99Å; A496-T517 PolarHBondContact N-O 2.86Å; A496-A518 HydrophobicContact CB-CB 4.4Å; A496-A518 CarbonylContact O-C 3.53Å; A496-A518 VanDerWaalsContact O-CA 3.23Å; A496-A518 WeakPolarHBondContact O-CA 3.46Å; A496-V519 PolarHBondContact O-N 3.39Å |
| 497 | Y | 98.4 | Very high | 94 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.2 | -177.8 | -56.7 | -84.9 | 0 | 0 | 0 | 110.6 | V292 M296 A299 V469 G470 H471 S472 A475 F495 V519 V655 L659 | V292-Y497 HydrophobicContact CG1-CE1 3.92Å; V292-Y497 PolarHBondContact O-OH 3.34Å; M296-Y497 HydrophobicContact CB-CD1 4.24Å; M296-Y497 HydrophobicContact CB-CE1 3.74Å; M296-Y497 HydrophobicContact CB-CE2 4.17Å; M296-Y497 HydrophobicContact CE-CG 4.47Å; M296-Y497 HydrophobicContact CG-CD1 4.2Å; M296-Y497 HydrophobicContact CG-CE1 4.21Å; M296-Y497 HydrophobicContact CG-CG 4.49Å; M296-Y497 PolarHBondContact N-OH 3.5Å; M296-Y497 HydrophobicContact SD-CD1 3.47Å; M296-Y497 WeakPolarHBondContact SD-CD1 3.3Å; M296-Y497 HydrophobicContact SD-CD2 3.47Å; M296-Y497 WeakPolarHBondContact SD-CD2 3.1Å; M296-Y497 HydrophobicContact SD-CE1 3.96Å; M296-Y497 HydrophobicContact SD-CE2 3.95Å; M296-Y497 HydrophobicContact SD-CG 3.24Å; A299-Y497 HydrophobicContact CB-CD2 3.94Å; A299-Y497 HydrophobicContact CB-CE2 4.27Å; V469-Y497 HydrophobicContact CG2-CD2 4.24Å; V469-Y497 HydrophobicContact CG2-CE2 3.64Å; G470-Y497 WeakPolarHBondContact O-CD2 3.47Å; G470-Y497 PolarHBondContact O-N 3.49Å; H471-Y497 CarbonylContact C-O 3.5Å; H471-Y497 VanDerWaalsContact CA-O 3.3Å; H471-Y497 WeakPolarHBondContact CA-O 3.46Å; H471-Y497 PolarHBondContact CD2-O 3.15Å; S472-Y497 PolarHBondContact N-O 3.07Å; A475-Y497 VanDerWaalsContact CB-O 3.31Å; A475-Y497 WeakPolarHBondContact CB-O 3.39Å; F495-Y497 HydrophobicContact CB-CE2 3.8Å; F495-Y497 WeakPolarHBondContact CB-OH 3.4Å; Y497-V519 HydrophobicContact CD1-CB 3.75Å; Y497-V519 HydrophobicContact CD1-CG1 4.31Å; Y497-V519 HydrophobicContact CD1-CG2 3.72Å; Y497-V519 HydrophobicContact CE1-CB 4.27Å; Y497-V519 HydrophobicContact CE1-CG2 3.71Å; Y497-V655 HydrophobicContact CD1-CG1 4.48Å; Y497-L659 HydrophobicContact CD1-CD1 4.45Å; Y497-L659 HydrophobicContact CE1-CD1 4.18Å |
| 498 | S | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 48 | 51.3 | -174.3 | -65.7 | 0 | 0 | 0 | 0 | 114.4 | S472 V519 D524 | S472-S498 WeakPolarHBondContact CA-O 3.27Å; S498-V519 WeakPolarHBondContact CA-O 3.41Å; S498-V519 PolarHBondContact N-O 3.01Å; S498-D524 WeakPolarHBondContact CB-OD2 3.33Å; S498-D524 PolarHBondContact OG-OD2 2.99Å |
| 499 | P | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -64.9 | 150.4 | 176.6 | 30.7 | -35.6 | 0 | 0 | 0 | 110.9 | A475 A496 A518 P527 P602 | A475-P499 HydrophobicContact CB-CB 3.94Å; A496-P499 HydrophobicContact CB-CB 4.32Å; A496-P499 HydrophobicContact CB-CG 4.22Å; P499-A518 HydrophobicContact CG-CB 4.08Å; P499-P527 VanDerWaalsContact O-CA 3.25Å; P499-P527 WeakPolarHBondContact O-CA 3.3Å; P499-P527 WeakPolarHBondContact O-CG 3.25Å; P499-P602 HydrophobicContact CB-CG 3.86Å; P499-P602 HydrophobicContact CG-CG 3.95Å | ||
| 500 | P | 92.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 29 Ų | 29 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | -64.6 | 150 | -178 | 29 | -37 | 0 | 0 | 0 | 112.3 | M432 L503 V526 | M432-P500 HydrophobicContact CE-CG 3.8Å; M432-P500 HydrophobicContact SD-CG 3.77Å; P500-L503 HydrophobicContact CG-CB 4.25Å; P500-L503 HydrophobicContact CG-CD1 3.95Å; P500-V526 WeakPolarHBondContact CA-O 3.49Å; P500-V526 HydrophobicContact CB-CG1 4.07Å | ||
| 501 | G | 88.1 | Confident | 94.4 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L503 V526 P527 I529 L599 Y600 P601 | G501-L503 VanDerWaalsContact C-N 3.27Å; G501-L503 PolarHBondContact O-N 3.28Å; G501-L503 VanDerWaalsContact O-N 3.08Å; G501-V526 PolarHBondContact N-O 2.96Å; G501-P527 WeakPolarHBondContact CA-O 3.35Å; G501-P527 PolarHBondContact N-O 3.43Å; G501-I529 CarbonylContact C-O 3.51Å; G501-I529 WeakPolarHBondContact CA-O 3.29Å; G501-I529 PolarHBondContact N-O 2.76Å; G501-I529 VanDerWaalsContact N-O 3.16Å; G501-L599 CarbonylContact O-C 3.59Å; G501-Y600 CarbonylContact O-C 3.58Å; G501-Y600 WeakPolarHBondContact O-CA 3.47Å; G501-Y600 PolarHBondContact O-N 3.13Å; G501-P601 WeakPolarHBondContact O-CD 3.36Å; G501-P601 VanDerWaalsContact O-N 3.09Å |
| 502 | G | 87.6 | Confident | 94.5 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I529 L599 | G502-I529 PolarHBondContact N-O 3.15Å; G502-L599 VanDerWaalsContact C-CB 3.41Å; G502-L599 VanDerWaalsContact O-CD1 3.24Å; G502-L599 WeakPolarHBondContact O-CD1 3.49Å |
| 503 | L | 92.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -86.6 | -55.9 | -171.6 | -167.4 | 71.1 | 0 | 0 | 0 | 115.9 | G428 H429 M432 A479 I480 P500 G501 P602 | G428-L503 CarbonylContact C-O 3.55Å; G428-L503 WeakPolarHBondContact CA-O 3.32Å; H429-L503 HydrophobicContact CB-CD1 4.1Å; H429-L503 PolarHBondContact N-O 3.08Å; M432-L503 HydrophobicContact CB-CD1 4.34Å; M432-L503 HydrophobicContact SD-CD1 3.63Å; A479-L503 HydrophobicContact CB-CD2 3.95Å; I480-L503 HydrophobicContact CD1-CD1 3.87Å; I480-L503 HydrophobicContact CD1-CG 4.41Å; I480-L503 HydrophobicContact CG1-CD1 4.46Å; P500-L503 HydrophobicContact CG-CB 4.25Å; P500-L503 HydrophobicContact CG-CD1 3.95Å; G501-L503 VanDerWaalsContact C-N 3.27Å; G501-L503 PolarHBondContact O-N 3.28Å; G501-L503 VanDerWaalsContact O-N 3.08Å; L503-P602 HydrophobicContact CD2-CB 3.99Å; L503-P602 HydrophobicContact CD2-CG 3.57Å | ||
| 504 | L | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -128.4 | 148.1 | -166.7 | -63.4 | -180 | 0 | 0 | 0 | 113.2 | L417 L427 I480 F483 A508 M509 L599 Y600 P602 | L417-L504 HydrophobicContact CD1-CD2 4.02Å; L427-L504 WeakPolarHBondContact O-CA 3.23Å; I480-L504 HydrophobicContact CG1-CD2 4.12Å; F483-L504 HydrophobicContact CE2-CD1 3.84Å; F483-L504 HydrophobicContact CE2-CD2 4.26Å; F483-L504 HydrophobicContact CZ-CD1 3.93Å; L504-A508 HydrophobicContact CB-CB 4.21Å; L504-M509 HydrophobicContact CB-CB 4.23Å; L504-L599 CarbonylContact O-C 3.56Å; L504-L599 VanDerWaalsContact O-CA 3.25Å; L504-L599 WeakPolarHBondContact O-CA 3.47Å; L504-Y600 PolarHBondContact N-O 3.02Å; L504-Y600 PolarHBondContact O-N 2.77Å; L504-P602 HydrophobicContact CD1-CB 3.76Å |
| 505 | S | 92.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | trans | -64.3 | 159.2 | 166.9 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | L427 D507 A508 M509 | L427-S505 PolarHBondContact N-OG 2.98Å; L427-S505 VanDerWaalsContact N-OG 3.08Å; L427-S505 PolarHBondContact O-N 3.4Å; S505-D507 PolarHBondContact O-N 2.9Å; S505-A508 PolarHBondContact O-N 2.99Å; S505-A508 VanDerWaalsContact O-N 3.11Å; S505-M509 WeakPolarHBondContact O-CB 3.26Å; S505-M509 PolarHBondContact O-N 3.26Å | ||
| 506 | E | 91.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 26.5 Ų | 26.5 | 39% | 0.393 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -55.7 | -45.8 | -171.2 | -169.5 | 165.1 | 148.2 | 0 | 0 | 113.5 | A508 M509 E510 Y600 K635 | E506-A508 VanDerWaalsContact C-N 3.35Å; E506-A508 PolarHBondContact O-N 3.31Å; E506-M509 HydrophobicContact CG-CE 4.05Å; E506-M509 WeakPolarHBondContact O-CB 3.4Å; E506-M509 PolarHBondContact O-N 3.45Å; E506-E510 PolarHBondContact O-N 2.87Å; E506-Y600 HydrophobicContact CB-CD2 4.26Å; E506-Y600 HydrophobicContact CB-CE2 3.97Å; E506-Y600 HydrophobicContact CG-CE2 4.38Å; E506-K635 WeakPolarHBondContact OE1-CE 3.47Å; E506-K635 IonicContact OE1-NZ 3.43Å; E506-K635 PolarHBondContact OE1-NZ 2.93Å; E506-K635 WeakPolarHBondContact OE2-CE 3.49Å; E506-K635 IonicContact OE2-NZ 3.19Å; E506-K635 PolarHBondContact OE2-NZ 2.85Å |
| 507 | D | 91.8 | Very high | 94.3 | Very high | 99 Ų | 99 | 27.5 Ų | 27.5 | 53% | 0.529 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.3 | -57.7 | -31.4 | 0 | 0 | 0 | 112.5 | S505 E510 Y511 | S505-D507 PolarHBondContact O-N 2.9Å; D507-E510 PolarHBondContact O-N 2.68Å; D507-Y511 PolarHBondContact O-N 3.08Å |
| 508 | A | 93.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L417 W426 F483 L504 S505 E506 E510 Y511 S512 | L417-A508 HydrophobicContact CD1-CB 4.11Å; W426-A508 HydrophobicContact CB-CB 4.1Å; W426-A508 HydrophobicContact CD2-CB 4.19Å; W426-A508 HydrophobicContact CG-CB 3.88Å; F483-A508 HydrophobicContact CE1-CB 4.15Å; F483-A508 HydrophobicContact CZ-CB 4.03Å; F483-A508 WeakPolarHBondContact CZ-O 3.48Å; L504-A508 HydrophobicContact CB-CB 4.21Å; S505-A508 PolarHBondContact O-N 2.99Å; S505-A508 VanDerWaalsContact O-N 3.11Å; E506-A508 VanDerWaalsContact C-N 3.35Å; E506-A508 PolarHBondContact O-N 3.31Å; A508-E510 VanDerWaalsContact C-N 3.34Å; A508-E510 PolarHBondContact O-N 2.88Å; A508-Y511 PolarHBondContact O-N 3.4Å; A508-S512 WeakPolarHBondContact O-CB 3.33Å; A508-S512 PolarHBondContact O-N 3.4Å |
| 509 | M | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 172.9 | 176 | -77.4 | -57.7 | 0 | 0 | 110.9 | L504 S505 E506 S512 K513 P601 N634 | L504-M509 HydrophobicContact CB-CB 4.23Å; S505-M509 WeakPolarHBondContact O-CB 3.26Å; S505-M509 PolarHBondContact O-N 3.26Å; E506-M509 HydrophobicContact CG-CE 4.05Å; E506-M509 WeakPolarHBondContact O-CB 3.4Å; E506-M509 PolarHBondContact O-N 3.45Å; M509-S512 PolarHBondContact O-N 3.04Å; M509-S512 PolarHBondContact O-OG 3.37Å; M509-K513 HydrophobicContact SD-CD 4.45Å; M509-K513 WeakPolarHBondContact SD-CE 3.2Å; M509-P601 VanDerWaalsContact CG-O 3.32Å; M509-P601 WeakPolarHBondContact CG-O 3.35Å; M509-N634 HydrophobicContact CE-CB 4.32Å; M509-N634 HydrophobicContact CG-CB 3.96Å; M509-N634 HydrophobicContact SD-CB 3.56Å; M509-N634 VanDerWaalsContact SD-CB 3.56Å |
| 510 | E | 94.6 | Very high | 94.3 | Very high | 105 Ų | 105 | 27.5 Ų | 27.5 | 49% | 0.491 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 178.8 | -159.9 | 63.3 | -136.8 | 0 | 0 | 111.7 | E506 D507 A508 S512 K513 | E506-E510 PolarHBondContact O-N 2.87Å; D507-E510 PolarHBondContact O-N 2.68Å; A508-E510 VanDerWaalsContact C-N 3.34Å; A508-E510 PolarHBondContact O-N 2.88Å; E510-S512 VanDerWaalsContact C-N 3.26Å; E510-S512 PolarHBondContact O-N 3.24Å; E510-K513 VanDerWaalsContact O-CB 3.31Å; E510-K513 WeakPolarHBondContact O-CB 3.49Å; E510-K513 PolarHBondContact O-N 3.02Å; E510-K513 VanDerWaalsContact O-N 3.12Å; E510-K513 WeakPolarHBondContact OE1-CD 3.26Å; E510-K513 IonicContact OE1-NZ 2.71Å; E510-K513 PolarHBondContact OE1-NZ 2.83Å; E510-K513 IonicContact OE2-NZ 2.64Å; E510-K513 PolarHBondContact OE2-NZ 3.15Å |
| 511 | Y | 94.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 27.1 Ų | 27.1 | 28% | 0.275 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.4 | -37 | 175.7 | 179.9 | -103 | 0 | 0 | 0 | 112.7 | W426 F483 R486 D507 A508 K513 E514 F515 | W426-Y511 AromaticContact CH2-CD1 3.33Å; W426-Y511 HydrophobicContact CH2-CD1 3.33Å; W426-Y511 AromaticContact CH2-CD2 3.84Å; W426-Y511 HydrophobicContact CH2-CD2 3.84Å; W426-Y511 AromaticContact CH2-CE1 3.63Å; W426-Y511 HydrophobicContact CH2-CE1 3.63Å; W426-Y511 HydrophobicContact CH2-CE2 4.11Å; W426-Y511 AromaticContact CH2-CG 3.43Å; W426-Y511 HydrophobicContact CH2-CG 3.43Å; W426-Y511 VanDerWaalsContact CH2-CG 3.43Å; W426-Y511 AromaticContact CH2-CZ 3.99Å; W426-Y511 HydrophobicContact CZ2-CD1 4.07Å; W426-Y511 HydrophobicContact CZ2-CD2 4.21Å; W426-Y511 AromaticContact CZ2-CG 3.78Å; W426-Y511 HydrophobicContact CZ2-CG 3.78Å; W426-Y511 AromaticContact CZ3-CD1 3.79Å; W426-Y511 HydrophobicContact CZ3-CD1 3.79Å; W426-Y511 AromaticContact CZ3-CE1 3.92Å; W426-Y511 HydrophobicContact CZ3-CE1 3.92Å; W426-Y511 HydrophobicContact CZ3-CG 4.33Å; F483-Y511 HydrophobicContact CD1-CD1 4.05Å; F483-Y511 HydrophobicContact CD1-CE1 4.18Å; F483-Y511 AromaticContact CE1-CD1 3.6Å; F483-Y511 HydrophobicContact CE1-CD1 3.6Å; F483-Y511 HydrophobicContact CE1-CE1 4.2Å; F483-Y511 HydrophobicContact CZ-CD1 4.34Å; R486-Y511 PolarHBondContact NH1-OH 3.37Å; D507-Y511 PolarHBondContact O-N 3.08Å; A508-Y511 PolarHBondContact O-N 3.4Å; Y511-K513 PolarHBondContact O-N 3.38Å; Y511-K513 VanDerWaalsContact O-N 3.15Å; Y511-E514 PolarHBondContact O-N 3.29Å; Y511-F515 AromaticContact CD1-CE1 3.71Å; Y511-F515 HydrophobicContact CD1-CE1 3.71Å; Y511-F515 HydrophobicContact CD1-CZ 4.28Å; Y511-F515 AromaticContact CE1-CE1 3.63Å; Y511-F515 HydrophobicContact CE1-CE1 3.63Å; Y511-F515 HydrophobicContact CE1-CZ 4.22Å |
| 512 | S | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -20.6 | 179.4 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | A508 M509 E510 E514 F515 V516 G603 | A508-S512 WeakPolarHBondContact O-CB 3.33Å; A508-S512 PolarHBondContact O-N 3.4Å; M509-S512 PolarHBondContact O-N 3.04Å; M509-S512 PolarHBondContact O-OG 3.37Å; E510-S512 VanDerWaalsContact C-N 3.26Å; E510-S512 PolarHBondContact O-N 3.24Å; S512-E514 PolarHBondContact O-N 3.47Å; S512-E514 VanDerWaalsContact O-N 3.13Å; S512-F515 PolarHBondContact O-N 2.94Å; S512-V516 WeakPolarHBondContact O-CB 3.2Å; S512-V516 PolarHBondContact O-N 3.33Å; S512-G603 PolarHBondContact OG-N 3Å |
| 513 | K | 96.2 | Very high | 94.8 | Very high | 37 Ų | 37 | 29 Ų | 29 | 16% | 0.161 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -8.1 | 175.4 | -68.4 | 163.7 | 175.7 | 170 | 0 | 114 | M509 E510 Y511 G603 R604 N634 | M509-K513 HydrophobicContact SD-CD 4.45Å; M509-K513 WeakPolarHBondContact SD-CE 3.2Å; E510-K513 VanDerWaalsContact O-CB 3.31Å; E510-K513 WeakPolarHBondContact O-CB 3.49Å; E510-K513 PolarHBondContact O-N 3.02Å; E510-K513 VanDerWaalsContact O-N 3.12Å; E510-K513 WeakPolarHBondContact OE1-CD 3.26Å; E510-K513 IonicContact OE1-NZ 2.71Å; E510-K513 PolarHBondContact OE1-NZ 2.83Å; E510-K513 IonicContact OE2-NZ 2.64Å; E510-K513 PolarHBondContact OE2-NZ 3.15Å; Y511-K513 PolarHBondContact O-N 3.38Å; Y511-K513 VanDerWaalsContact O-N 3.15Å; K513-G603 WeakPolarHBondContact CG-O 3.33Å; K513-R604 HydrophobicContact CB-CG 3.89Å; K513-R604 HydrophobicContact CG-CG 4.1Å; K513-R604 PolarHBondContact O-NE 3.29Å; K513-R604 PolarHBondContact O-NH2 2.8Å; K513-N634 WeakPolarHBondContact CE-OD1 3.38Å; K513-N634 PolarHBondContact NZ-OD1 2.91Å |
| 514 | E | 96 | Very high | 94.7 | Very high | 123 Ų | 123 | 29 Ų | 29 | 58% | 0.575 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -34.6 | 172 | -66.2 | -174.1 | 172.4 | 0 | 0 | 113.1 | R486 Y511 S512 | R486-E514 IonicContact CZ-OE2 3.23Å; R486-E514 IonicContact NH1-OE2 3.25Å; R486-E514 PolarHBondContact NH1-OE2 2.99Å; R486-E514 IonicContact NH2-OE2 3.25Å; R486-E514 PolarHBondContact NH2-OE2 2.71Å; Y511-E514 PolarHBondContact O-N 3.29Å; S512-E514 PolarHBondContact O-N 3.47Å; S512-E514 VanDerWaalsContact O-N 3.13Å |
| 515 | F | 96.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -23.7 | -169.7 | 57.7 | -81.9 | 0 | 0 | 0 | 114.8 | F483 R486 L492 K493 C494 Y511 S512 | F483-F515 HydrophobicContact CD1-CZ 4.34Å; F483-F515 HydrophobicContact CD2-CE2 4.23Å; F483-F515 AromaticContact CD2-CZ 3.86Å; F483-F515 HydrophobicContact CD2-CZ 3.86Å; F483-F515 HydrophobicContact CE1-CZ 4.39Å; F483-F515 HydrophobicContact CE2-CE2 4.44Å; F483-F515 AromaticContact CE2-CZ 3.89Å; F483-F515 HydrophobicContact CE2-CZ 3.89Å; F483-F515 HydrophobicContact CG-CZ 4.08Å; F483-F515 HydrophobicContact CZ-CZ 4.17Å; R486-F515 VanDerWaalsContact NH1-CD1 3.33Å; L492-F515 HydrophobicContact CD2-CD2 4.26Å; K493-F515 WeakPolarHBondContact CA-O 3.36Å; C494-F515 PolarHBondContact N-O 3.01Å; Y511-F515 AromaticContact CD1-CE1 3.71Å; Y511-F515 HydrophobicContact CD1-CE1 3.71Å; Y511-F515 HydrophobicContact CD1-CZ 4.28Å; Y511-F515 AromaticContact CE1-CE1 3.63Å; Y511-F515 HydrophobicContact CE1-CE1 3.63Å; Y511-F515 HydrophobicContact CE1-CZ 4.22Å; S512-F515 PolarHBondContact O-N 2.94Å |
| 516 | V | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.3 | 178.2 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | A479 C494 A496 S512 P602 G603 R604 | A479-V516 HydrophobicContact CB-CG1 4.41Å; A479-V516 HydrophobicContact CB-CG2 4.42Å; C494-V516 HydrophobicContact CB-CB 4.28Å; C494-V516 HydrophobicContact CB-CG1 4.17Å; C494-V516 HydrophobicContact CB-CG2 3.96Å; A496-V516 HydrophobicContact CB-CG1 3.99Å; S512-V516 WeakPolarHBondContact O-CB 3.2Å; S512-V516 PolarHBondContact O-N 3.33Å; V516-P602 HydrophobicContact CG1-CB 4.23Å; V516-P602 HydrophobicContact CG1-CG 4.4Å; V516-G603 CarbonylContact O-C 3.57Å; V516-G603 WeakPolarHBondContact O-CA 3.26Å; V516-R604 PolarHBondContact O-N 2.67Å |
| 517 | T | 98 | Very high | 94.4 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 13% | 0.129 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.5 | 161.8 | -56.3 | 0 | 0 | 0 | 0 | 108 | V292 C494 F495 A496 I606 | V292-T517 HydrophobicContact CG2-CG2 3.97Å; C494-T517 PolarHBondContact O-N 2.8Å; F495-T517 WeakPolarHBondContact CA-O 3.45Å; A496-T517 PolarHBondContact N-O 2.86Å; T517-I606 HydrophobicContact CG2-CD1 3.81Å; T517-I606 HydrophobicContact CG2-CG1 4.34Å |
| 518 | A | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 150.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | A496 P499 P602 R604 I605 I606 | A496-A518 HydrophobicContact CB-CB 4.4Å; A496-A518 CarbonylContact O-C 3.53Å; A496-A518 VanDerWaalsContact O-CA 3.23Å; A496-A518 WeakPolarHBondContact O-CA 3.46Å; P499-A518 HydrophobicContact CG-CB 4.08Å; A518-P602 WeakPolarHBondContact CB-O 3.27Å; A518-R604 PolarHBondContact N-O 2.82Å; A518-I605 HydrophobicContact CB-CG1 4.05Å; A518-I605 WeakPolarHBondContact O-CA 3.49Å; A518-I606 PolarHBondContact O-N 3.09Å |
| 519 | V | 97.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | V292 A496 Y497 S498 I606 V655 L659 | V292-V519 HydrophobicContact CG1-CG2 3.43Å; V292-V519 VanDerWaalsContact CG1-CG2 3.43Å; A496-V519 PolarHBondContact O-N 3.39Å; Y497-V519 HydrophobicContact CD1-CB 3.75Å; Y497-V519 HydrophobicContact CD1-CG1 4.31Å; Y497-V519 HydrophobicContact CD1-CG2 3.72Å; Y497-V519 HydrophobicContact CE1-CB 4.27Å; Y497-V519 HydrophobicContact CE1-CG2 3.71Å; S498-V519 WeakPolarHBondContact CA-O 3.41Å; S498-V519 PolarHBondContact N-O 3.01Å; V519-I606 WeakPolarHBondContact CA-O 3.32Å; V519-V655 HydrophobicContact CG1-CG1 4.46Å; V519-L659 HydrophobicContact CG1-CD2 4.06Å |
| 520 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.5 | 170 | 178 | 0 | 0 | 0 | 0 | 109.1 | D524 P527 I605 I606 H607 V608 F637 | V520-D524 HydrophobicContact CG1-CB 4.21Å; V520-P527 HydrophobicContact CB-CG 4.37Å; V520-P527 HydrophobicContact CG1-CB 4.17Å; V520-P527 HydrophobicContact CG1-CG 3.85Å; V520-P527 HydrophobicContact CG2-CB 3.83Å; V520-P527 HydrophobicContact CG2-CG 3.69Å; V520-I605 HydrophobicContact CG2-CG2 4.07Å; V520-I606 PolarHBondContact N-O 3.48Å; V520-I606 VanDerWaalsContact N-O 3.07Å; V520-H607 CarbonylContact O-C 3.41Å; V520-H607 WeakPolarHBondContact O-CA 3.42Å; V520-H607 PolarHBondContact O-CD2 3.45Å; V520-V608 PolarHBondContact O-N 3.45Å; V520-F637 HydrophobicContact CB-CE1 4.18Å; V520-F637 HydrophobicContact CB-CZ 4.35Å; V520-F637 HydrophobicContact CG1-CE1 3.8Å; V520-F637 HydrophobicContact CG1-CZ 4.44Å; V520-F637 HydrophobicContact CG2-CE1 4.13Å; V520-F637 HydrophobicContact CG2-CZ 4.22Å |
| 521 | L | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.7 | 172.3 | -175.8 | 64 | 0 | 0 | 0 | 110.9 | K523 D524 V608 Y627 E649 V654 V655 | L521-K523 PolarHBondContact O-N 3.06Å; L521-D524 WeakPolarHBondContact O-CB 3.39Å; L521-D524 PolarHBondContact O-N 3.38Å; L521-V608 HydrophobicContact CD1-CB 3.82Å; L521-V608 HydrophobicContact CD1-CG1 3.6Å; L521-Y627 HydrophobicContact CD1-CD1 4.47Å; L521-Y627 HydrophobicContact CD1-CE1 4.3Å; L521-E649 HydrophobicContact CD2-CB 4.11Å; L521-E649 HydrophobicContact CD2-CG 4.32Å; L521-E649 WeakPolarHBondContact CD2-O 3.23Å; L521-E649 HydrophobicContact CG-CB 4.35Å; L521-V654 HydrophobicContact CD2-CG1 3.84Å; L521-V654 WeakPolarHBondContact CD2-O 3.31Å; L521-V655 HydrophobicContact CB-CG2 4.32Å |
| 522 | G | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -117.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115 | H607 V608 E649 | G522-H607 PolarHBondContact O-CE1 3.37Å; G522-H607 PolarHBondContact O-NE2 2.88Å; G522-V608 PolarHBondContact N-O 2.69Å; G522-E649 WeakPolarHBondContact CA-OE2 3.48Å |
| 523 | K | 90.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 22.8 Ų | 22.8 | 20% | 0.2 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 27 | 179.9 | -62.1 | 166.5 | -167.4 | 150.9 | 0 | 111.4 | S267 L521 L525 I641 S643 M646 E649 | S267-K523 WeakPolarHBondContact O-CG 3.28Å; L521-K523 PolarHBondContact O-N 3.06Å; K523-L525 PolarHBondContact O-N 2.98Å; K523-I641 HydrophobicContact CB-CG2 4.2Å; K523-I641 HydrophobicContact CD-CG2 3.96Å; K523-I641 HydrophobicContact CG-CG2 3.91Å; K523-S643 VanDerWaalsContact CD-CB 3.5Å; K523-S643 WeakPolarHBondContact CD-OG 3.48Å; K523-M646 WeakPolarHBondContact O-CB 3.27Å; K523-E649 PolarHBondContact N-OE2 3.32Å |
| 524 | D | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -43.9 | 128.5 | 177.4 | -176.1 | -21 | 0 | 0 | 0 | 111.3 | S498 V520 L521 V526 P527 R528 H650 | S498-D524 WeakPolarHBondContact CB-OD2 3.33Å; S498-D524 PolarHBondContact OG-OD2 2.99Å; V520-D524 HydrophobicContact CG1-CB 4.21Å; L521-D524 WeakPolarHBondContact O-CB 3.39Å; L521-D524 PolarHBondContact O-N 3.38Å; D524-V526 PolarHBondContact OD1-N 3.41Å; D524-P527 HydrophobicContact CB-CG 4.37Å; D524-P527 WeakPolarHBondContact OD1-CD 3.28Å; D524-R528 WeakPolarHBondContact O-CD 3.36Å; D524-H650 VanDerWaalsContact CG-ND1 3.27Å; D524-H650 WeakPolarHBondContact OD1-CB 3.48Å; D524-H650 IonicContact OD1-CG 2.72Å; D524-H650 IonicContact OD1-ND1 3.19Å; D524-H650 PolarHBondContact OD1-ND1 3.31Å; D524-H650 IonicContact OD2-CE1 3.89Å; D524-H650 IonicContact OD2-CG 2.72Å; D524-H650 IonicContact OD2-ND1 2.62Å; D524-H650 PolarHBondContact OD2-ND1 2.88Å | ||
| 525 | L | 88.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 18.9 Ų | 18.9 | 11% | 0.11 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -69.4 | -39.1 | -176.6 | -176.8 | 64.8 | 0 | 0 | 0 | 113.1 | K523 R528 I529 V640 M646 L647 | K523-L525 PolarHBondContact O-N 2.98Å; L525-R528 CarbonylContact O-C 3.2Å; L525-R528 WeakPolarHBondContact O-CA 3.42Å; L525-R528 WeakPolarHBondContact O-CB 3.47Å; L525-R528 PolarHBondContact O-N 3.06Å; L525-I529 HydrophobicContact CD1-CD1 3.88Å; L525-I529 HydrophobicContact CD1-CG1 4.11Å; L525-I529 HydrophobicContact CD2-CD1 3.88Å; L525-I529 HydrophobicContact CG-CD1 3.58Å; L525-I529 HydrophobicContact CG-CG1 4.1Å; L525-I529 PolarHBondContact O-N 3.39Å; L525-I529 VanDerWaalsContact O-N 3.13Å; L525-V640 HydrophobicContact CD1-CG1 3.7Å; L525-M646 HydrophobicContact CB-CB 4.35Å; L525-M646 HydrophobicContact CB-CG 4.22Å; L525-M646 HydrophobicContact CD1-CE 4.33Å; L525-M646 HydrophobicContact CD1-SD 4.14Å; L525-M646 HydrophobicContact CD2-CE 4.22Å; L525-M646 PolarHBondContact N-O 3.18Å; L525-M646 VanDerWaalsContact N-O 3.13Å; L525-L647 HydrophobicContact CD2-CD2 3.65Å; L525-L647 HydrophobicContact CD2-CG 4.26Å |
| 526 | V | 90.9 | Very high | 88.2 | Confident | 34 Ų | 34 | 19.3 Ų | 19.3 | 21% | 0.206 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -69.2 | -44.4 | -167.6 | 168.8 | 0 | 0 | 0 | 0 | 112.6 | P500 G501 D524 R528 I529 H650 | P500-V526 WeakPolarHBondContact CA-O 3.49Å; P500-V526 HydrophobicContact CB-CG1 4.07Å; G501-V526 PolarHBondContact N-O 2.96Å; D524-V526 PolarHBondContact OD1-N 3.41Å; V526-R528 PolarHBondContact O-N 3.42Å; V526-I529 PolarHBondContact O-N 3.48Å; V526-I529 VanDerWaalsContact O-N 3.09Å; V526-H650 VanDerWaalsContact CB-CE1 3.46Å; V526-H650 WeakPolarHBondContact CB-CE1 3.49Å |
| 527 | P | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59.5 | -11 | 169.5 | -24.9 | 35.8 | 0 | 0 | 0 | 114.8 | P499 G501 V520 D524 F637 | P499-P527 VanDerWaalsContact O-CA 3.25Å; P499-P527 WeakPolarHBondContact O-CA 3.3Å; P499-P527 WeakPolarHBondContact O-CG 3.25Å; G501-P527 WeakPolarHBondContact CA-O 3.35Å; G501-P527 PolarHBondContact N-O 3.43Å; V520-P527 HydrophobicContact CB-CG 4.37Å; V520-P527 HydrophobicContact CG1-CB 4.17Å; V520-P527 HydrophobicContact CG1-CG 3.85Å; V520-P527 HydrophobicContact CG2-CB 3.83Å; V520-P527 HydrophobicContact CG2-CG 3.69Å; D524-P527 HydrophobicContact CB-CG 4.37Å; D524-P527 WeakPolarHBondContact OD1-CD 3.28Å; P527-F637 HydrophobicContact CB-CD1 4.11Å; P527-F637 VanDerWaalsContact O-CB 3.27Å; P527-F637 WeakPolarHBondContact O-CB 3.43Å |
| 528 | R | 89.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -109.6 | -1.5 | -179.7 | -58.6 | 177 | 176.7 | -74.2 | -9.8 | 113.4 | M269 D524 L525 V526 Q533 F637 E639 V640 | M269-R528 PolarHBondContact SD-NH2 2.85Å; D524-R528 WeakPolarHBondContact O-CD 3.36Å; L525-R528 CarbonylContact O-C 3.2Å; L525-R528 WeakPolarHBondContact O-CA 3.42Å; L525-R528 WeakPolarHBondContact O-CB 3.47Å; L525-R528 PolarHBondContact O-N 3.06Å; V526-R528 PolarHBondContact O-N 3.42Å; R528-Q533 WeakPolarHBondContact O-CB 3.3Å; R528-F637 WeakPolarHBondContact CA-O 3.38Å; R528-F637 HydrophobicContact CG-CB 4.31Å; R528-F637 HydrophobicContact CG-CD1 4.07Å; R528-E639 WeakPolarHBondContact CD-O 3.44Å; R528-E639 PolarHBondContact NH1-O 2.96Å; R528-E639 VanDerWaalsContact NH1-O 3.17Å; R528-V640 WeakPolarHBondContact O-CG2 3.08Å |
| 529 | I | 81.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 28.5 Ų | 28.5 | 32% | 0.318 | 14% | 0.144 | S | C | . | . | trans | -100.1 | 137.6 | 174.8 | -74.3 | -176.6 | 0 | 0 | 0 | 111 | G501 G502 L525 V526 | G501-I529 CarbonylContact C-O 3.51Å; G501-I529 WeakPolarHBondContact CA-O 3.29Å; G501-I529 PolarHBondContact N-O 2.76Å; G501-I529 VanDerWaalsContact N-O 3.16Å; G502-I529 PolarHBondContact N-O 3.15Å; L525-I529 HydrophobicContact CD1-CD1 3.88Å; L525-I529 HydrophobicContact CD1-CG1 4.11Å; L525-I529 HydrophobicContact CD2-CD1 3.88Å; L525-I529 HydrophobicContact CG-CD1 3.58Å; L525-I529 HydrophobicContact CG-CG1 4.1Å; L525-I529 PolarHBondContact O-N 3.39Å; L525-I529 VanDerWaalsContact O-N 3.13Å; V526-I529 PolarHBondContact O-N 3.48Å; V526-I529 VanDerWaalsContact O-N 3.09Å | ||
| 530 | G | 79.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -174.8 | 168.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S532 Q533 L534 | G530-S532 PolarHBondContact O-N 2.83Å; G530-Q533 PolarHBondContact O-N 3.26Å; G530-Q533 PolarHBondContact O-OE1 2.93Å; G530-L534 VanDerWaalsContact O-CB 3.25Å; G530-L534 WeakPolarHBondContact O-CB 3.1Å; G530-L534 PolarHBondContact O-N 3.11Å |
| 531 | L | 77.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57 | -45.7 | -172.3 | -69.5 | -170.7 | 0 | 0 | 0 | 113.3 | G412 L534 E535 L593 | G412-L531 WeakPolarHBondContact O-CD1 3.4Å; G412-L531 WeakPolarHBondContact O-CG 3.4Å; L531-L534 PolarHBondContact O-N 3.15Å; L531-E535 PolarHBondContact O-N 2.87Å; L531-L593 HydrophobicContact CB-CD2 4.2Å; L531-L593 HydrophobicContact CD1-CD2 4.23Å; L531-L593 HydrophobicContact CD2-CD2 4.11Å; L531-L593 HydrophobicContact CG-CD2 4.42Å |
| 532 | S | 76.6 | Confident | 84.3 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.8 | -36.8 | -178 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | G530 G536 | G530-S532 PolarHBondContact O-N 2.83Å; S532-G536 PolarHBondContact O-N 2.88Å; S532-G536 VanDerWaalsContact O-N 3.07Å |
| 533 | Q | 82.1 | Confident | 83.9 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 173.5 | -60.4 | 85.3 | -7.6 | 0 | 0 | 111.1 | R528 G530 G536 F537 N638 V640 | R528-Q533 WeakPolarHBondContact O-CB 3.3Å; G530-Q533 PolarHBondContact O-N 3.26Å; G530-Q533 PolarHBondContact O-OE1 2.93Å; Q533-G536 PolarHBondContact O-N 3.48Å; Q533-F537 PolarHBondContact O-N 3.31Å; Q533-N638 PolarHBondContact NE2-OD1 3.2Å; Q533-V640 HydrophobicContact CB-CG2 4.42Å |
| 534 | L | 77.7 | Confident | 83.7 | Confident | 50 Ų | 50 | 33.1 Ų | 33.1 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.8 | -36.6 | 180 | -166 | 73 | 0 | 0 | 0 | 112.1 | F225 G530 L531 F537 R538 | F225-L534 HydrophobicContact CD2-CD2 4.03Å; F225-L534 HydrophobicContact CD2-CG 4.27Å; F225-L534 HydrophobicContact CE2-CD1 4.42Å; F225-L534 HydrophobicContact CE2-CD2 3.84Å; F225-L534 HydrophobicContact CE2-CG 3.57Å; F225-L534 HydrophobicContact CZ-CD1 4.19Å; F225-L534 HydrophobicContact CZ-CD2 4.36Å; F225-L534 HydrophobicContact CZ-CG 3.82Å; G530-L534 VanDerWaalsContact O-CB 3.25Å; G530-L534 WeakPolarHBondContact O-CB 3.1Å; G530-L534 PolarHBondContact O-N 3.11Å; L531-L534 PolarHBondContact O-N 3.15Å; L534-F537 HydrophobicContact CD1-CD1 4.21Å; L534-F537 PolarHBondContact O-N 2.89Å; L534-R538 PolarHBondContact O-N 3.48Å |
| 535 | E | 77.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 165.7 | -85.9 | -156.9 | -148.1 | 0 | 0 | 111.9 | L531 F537 R538 R539 L593 S594 | L531-E535 PolarHBondContact O-N 2.87Å; E535-F537 VanDerWaalsContact C-N 3.29Å; E535-F537 PolarHBondContact O-N 3.42Å; E535-R538 WeakPolarHBondContact O-CB 3.43Å; E535-R538 PolarHBondContact O-N 3.31Å; E535-R538 VanDerWaalsContact O-N 3.15Å; E535-R539 WeakPolarHBondContact O-CG 3.24Å; E535-R539 PolarHBondContact O-N 3.23Å; E535-R539 IonicContact OE2-CZ 3.84Å; E535-R539 IonicContact OE2-NE 2.74Å; E535-R539 PolarHBondContact OE2-NE 2.89Å; E535-R539 IonicContact OE2-NH2 3.64Å; E535-R539 PolarHBondContact OE2-NH2 2.77Å; E535-L593 HydrophobicContact CG-CD2 4.29Å; E535-L593 WeakPolarHBondContact OE1-CB 3.46Å; E535-S594 VanDerWaalsContact OE1-CA 3.25Å; E535-S594 WeakPolarHBondContact OE1-CA 3.32Å; E535-S594 PolarHBondContact OE1-N 3.33Å; E535-S594 VanDerWaalsContact OE1-N 3.07Å; E535-S594 PolarHBondContact OE1-OG 3.31Å; E535-S594 PolarHBondContact OE2-OG 2.93Å |
| 536 | G | 81 | Confident | 83.1 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.8 | -47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S532 Q533 R539 Q540 | S532-G536 PolarHBondContact O-N 2.88Å; S532-G536 VanDerWaalsContact O-N 3.07Å; Q533-G536 PolarHBondContact O-N 3.48Å; G536-R539 PolarHBondContact O-N 3.25Å; G536-Q540 WeakPolarHBondContact O-CG 3.41Å; G536-Q540 PolarHBondContact O-N 3.36Å |
| 537 | F | 83.6 | Confident | 82.7 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 11% | 0.114 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 172.3 | 170.6 | -106.8 | 0 | 0 | 0 | 112.7 | F225 L240 L243 Q533 L534 E535 R539 Q540 L541 V640 I642 | F225-F537 HydrophobicContact CZ-CD1 4.25Å; L240-F537 HydrophobicContact CD2-CE2 3.8Å; L240-F537 HydrophobicContact CD2-CZ 3.75Å; L243-F537 HydrophobicContact CD2-CD2 3.83Å; L243-F537 HydrophobicContact CD2-CE2 3.83Å; Q533-F537 PolarHBondContact O-N 3.31Å; L534-F537 HydrophobicContact CD1-CD1 4.21Å; L534-F537 PolarHBondContact O-N 2.89Å; E535-F537 VanDerWaalsContact C-N 3.29Å; E535-F537 PolarHBondContact O-N 3.42Å; F537-R539 VanDerWaalsContact C-N 3.29Å; F537-R539 PolarHBondContact O-N 3.47Å; F537-Q540 PolarHBondContact O-N 3.07Å; F537-L541 HydrophobicContact CE1-CD2 4.22Å; F537-L541 HydrophobicContact CE2-CD1 4.38Å; F537-L541 HydrophobicContact CZ-CD1 4.26Å; F537-L541 HydrophobicContact CZ-CD2 4.02Å; F537-L541 VanDerWaalsContact O-CB 3.23Å; F537-L541 WeakPolarHBondContact O-CB 3.43Å; F537-L541 PolarHBondContact O-N 2.79Å; F537-V640 HydrophobicContact CB-CB 4.43Å; F537-V640 HydrophobicContact CB-CG2 4.15Å; F537-V640 HydrophobicContact CD2-CG1 4.39Å; F537-I642 HydrophobicContact CD2-CD1 4.24Å; F537-I642 HydrophobicContact CE2-CD1 3.83Å |
| 538 | R | 82.4 | Confident | 82.2 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.1 | -46.6 | 174.4 | -172.2 | 174.7 | 160.8 | 174.6 | -8.3 | 111.3 | F225 D228 L534 E535 L542 | F225-R538 HydrophobicContact CE1-CB 4.47Å; F225-R538 HydrophobicContact CE2-CB 3.74Å; F225-R538 HydrophobicContact CE2-CG 4.19Å; F225-R538 HydrophobicContact CZ-CB 3.56Å; F225-R538 HydrophobicContact CZ-CG 4.06Å; F225-R538 VanDerWaalsContact O-CD 3.32Å; F225-R538 WeakPolarHBondContact O-CD 3.25Å; F225-R538 PolarHBondContact O-NE 3.35Å; F225-R538 PolarHBondContact O-NH1 3.07Å; D228-R538 IonicContact OD2-CZ 3.55Å; D228-R538 IonicContact OD2-NH2 3.94Å; D228-R538 PolarHBondContact OD2-NH2 2.75Å; L534-R538 PolarHBondContact O-N 3.48Å; E535-R538 WeakPolarHBondContact O-CB 3.43Å; E535-R538 PolarHBondContact O-N 3.31Å; E535-R538 VanDerWaalsContact O-N 3.15Å; R538-L542 HydrophobicContact CG-CD1 4.36Å; R538-L542 VanDerWaalsContact O-CG 3.28Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.87Å; R538-L542 VanDerWaalsContact O-N 3.11Å |
| 539 | R | 83.4 | Confident | 81.8 | Confident | 144 Ų | 144 | 50.3 Ų | 50.3 | 54% | 0.543 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | -179.7 | -68.3 | -177.7 | -112.4 | 116.2 | -11.5 | 111.6 | E535 G536 F537 D543 | E535-R539 WeakPolarHBondContact O-CG 3.24Å; E535-R539 PolarHBondContact O-N 3.23Å; E535-R539 IonicContact OE2-CZ 3.84Å; E535-R539 IonicContact OE2-NE 2.74Å; E535-R539 PolarHBondContact OE2-NE 2.89Å; E535-R539 IonicContact OE2-NH2 3.64Å; E535-R539 PolarHBondContact OE2-NH2 2.77Å; G536-R539 PolarHBondContact O-N 3.25Å; F537-R539 VanDerWaalsContact C-N 3.29Å; F537-R539 PolarHBondContact O-N 3.47Å; R539-D543 PolarHBondContact O-N 3.17Å; R539-D543 VanDerWaalsContact O-N 3.13Å |
| 540 | Q | 85.1 | Confident | 81.7 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 27% | 0.271 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.6 | -73 | -174 | -1.3 | 0 | 0 | 112.9 | L243 G536 F537 L542 D543 V544 E639 | L243-Q540 HydrophobicContact CD1-CB 3.91Å; L243-Q540 HydrophobicContact CD2-CB 4.13Å; G536-Q540 WeakPolarHBondContact O-CG 3.41Å; G536-Q540 PolarHBondContact O-N 3.36Å; F537-Q540 PolarHBondContact O-N 3.07Å; Q540-L542 VanDerWaalsContact C-N 3.34Å; Q540-L542 PolarHBondContact O-N 3.37Å; Q540-D543 PolarHBondContact O-N 2.74Å; Q540-V544 PolarHBondContact O-N 3.12Å; Q540-V544 VanDerWaalsContact O-N 3.15Å; Q540-E639 PolarHBondContact NE2-OE1 3.25Å |
| 541 | L | 84.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 180 | -173.3 | 71.7 | 0 | 0 | 0 | 111.4 | F226 I236 F537 V544 L545 | F226-L541 HydrophobicContact CE1-CD2 4.37Å; I236-L541 HydrophobicContact CG2-CD2 4.39Å; F537-L541 HydrophobicContact CE1-CD2 4.22Å; F537-L541 HydrophobicContact CE2-CD1 4.38Å; F537-L541 HydrophobicContact CZ-CD1 4.26Å; F537-L541 HydrophobicContact CZ-CD2 4.02Å; F537-L541 VanDerWaalsContact O-CB 3.23Å; F537-L541 WeakPolarHBondContact O-CB 3.43Å; F537-L541 PolarHBondContact O-N 2.79Å; L541-V544 VanDerWaalsContact O-CG2 3.23Å; L541-V544 WeakPolarHBondContact O-CG2 3.48Å; L541-L545 HydrophobicContact CG-CD1 4.26Å; L541-L545 WeakPolarHBondContact O-CB 3.38Å; L541-L545 VanDerWaalsContact O-CG 3.27Å; L541-L545 WeakPolarHBondContact O-CG 3.24Å; L541-L545 PolarHBondContact O-N 2.56Å; L541-L545 VanDerWaalsContact O-N 3.15Å |
| 542 | L | 82.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 175.2 | -71.2 | 175.3 | 0 | 0 | 0 | 112.9 | L229 I231 R538 Q540 V544 L545 Q546 | L229-L542 HydrophobicContact CD1-CD1 4.06Å; L229-L542 HydrophobicContact CD1-CD2 3.77Å; L229-L542 HydrophobicContact CD1-CG 4.28Å; L229-L542 HydrophobicContact CD2-CD1 3.91Å; L229-L542 HydrophobicContact CD2-CD2 3.46Å; L229-L542 VanDerWaalsContact CD2-CD2 3.46Å; L229-L542 HydrophobicContact CD2-CG 4.32Å; L229-L542 HydrophobicContact CG-CD2 4.21Å; I231-L542 HydrophobicContact CD1-CD2 4.23Å; R538-L542 HydrophobicContact CG-CD1 4.36Å; R538-L542 VanDerWaalsContact O-CG 3.28Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.87Å; R538-L542 VanDerWaalsContact O-N 3.11Å; Q540-L542 VanDerWaalsContact C-N 3.34Å; Q540-L542 PolarHBondContact O-N 3.37Å; L542-V544 VanDerWaalsContact C-N 3.35Å; L542-V544 PolarHBondContact O-N 2.95Å; L542-L545 PolarHBondContact O-N 3.23Å; L542-Q546 WeakPolarHBondContact O-CB 3.23Å; L542-Q546 VanDerWaalsContact O-CG 3.28Å; L542-Q546 WeakPolarHBondContact O-CG 3.25Å; L542-Q546 PolarHBondContact O-N 2.95Å |
| 543 | D | 84.7 | Confident | 82.4 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | -179.5 | -174.7 | 49.5 | 0 | 0 | 0 | 111.6 | R246 R539 Q540 R547 | R246-D543 IonicContact CZ-OD2 2.65Å; R246-D543 IonicContact NH1-OD2 2.8Å; R246-D543 PolarHBondContact NH1-OD2 2.69Å; R246-D543 IonicContact NH2-OD2 3.33Å; R246-D543 PolarHBondContact NH2-OD2 2.71Å; R539-D543 PolarHBondContact O-N 3.17Å; R539-D543 VanDerWaalsContact O-N 3.13Å; Q540-D543 PolarHBondContact O-N 2.74Å; D543-R547 VanDerWaalsContact CG-NE 3.27Å; D543-R547 VanDerWaalsContact CG-NH2 3.31Å; D543-R547 VanDerWaalsContact O-CG 3.26Å; D543-R547 WeakPolarHBondContact O-CG 3.32Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 VanDerWaalsContact O-N 3.15Å; D543-R547 IonicContact OD1-CZ 3.69Å; D543-R547 IonicContact OD1-NE 2.69Å; D543-R547 PolarHBondContact OD1-NE 3.4Å; D543-R547 IonicContact OD1-NH2 3.68Å; D543-R547 PolarHBondContact OD1-NH2 2.84Å; D543-R547 IonicContact OD2-CZ 3.54Å; D543-R547 IonicContact OD2-NE 2.78Å; D543-R547 PolarHBondContact OD2-NE 3.42Å; D543-R547 IonicContact OD2-NH2 3.67Å; D543-R547 PolarHBondContact OD2-NH2 3.34Å |
| 544 | V | 85.3 | Confident | 82.4 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -37.6 | 174.1 | -60.8 | 0 | 0 | 0 | 0 | 113 | L242 L243 Q540 L541 L542 Q546 R547 S548 | L242-V544 HydrophobicContact CB-CB 3.88Å; L242-V544 HydrophobicContact CB-CG2 3.9Å; L242-V544 HydrophobicContact CD1-CB 4.49Å; L243-V544 HydrophobicContact CB-CG2 4.27Å; L243-V544 HydrophobicContact CD1-CG1 4.35Å; Q540-V544 PolarHBondContact O-N 3.12Å; Q540-V544 VanDerWaalsContact O-N 3.15Å; L541-V544 VanDerWaalsContact O-CG2 3.23Å; L541-V544 WeakPolarHBondContact O-CG2 3.48Å; L542-V544 VanDerWaalsContact C-N 3.35Å; L542-V544 PolarHBondContact O-N 2.95Å; V544-Q546 VanDerWaalsContact C-N 3.3Å; V544-Q546 PolarHBondContact O-N 3.07Å; V544-R547 PolarHBondContact O-N 3.13Å; V544-S548 WeakPolarHBondContact O-CB 3.37Å; V544-S548 PolarHBondContact O-N 3.02Å; V544-S548 VanDerWaalsContact O-N 3.09Å |
| 545 | L | 83.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -26.5 | 176.3 | -74.5 | 175.7 | 0 | 0 | 0 | 113.2 | M1 I85 I231 D235 L242 L541 L542 | M1-L545 HydrophobicContact CE-CB 3.89Å; M1-L545 HydrophobicContact CE-CD2 4.13Å; M1-L545 HydrophobicContact CE-CG 4.42Å; I85-L545 HydrophobicContact CD1-CD2 3.64Å; I231-L545 HydrophobicContact CD1-CD1 4.37Å; D235-L545 WeakPolarHBondContact O-CD2 3.38Å; L242-L545 HydrophobicContact CD1-CD2 4.36Å; L541-L545 HydrophobicContact CG-CD1 4.26Å; L541-L545 WeakPolarHBondContact O-CB 3.38Å; L541-L545 VanDerWaalsContact O-CG 3.27Å; L541-L545 WeakPolarHBondContact O-CG 3.24Å; L541-L545 PolarHBondContact O-N 2.56Å; L541-L545 VanDerWaalsContact O-N 3.15Å; L542-L545 PolarHBondContact O-N 3.23Å |
| 546 | Q | 83.5 | Confident | 82.7 | Confident | 132 Ų | 132 | 54.4 Ų | 54.4 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -79.3 | -37.2 | 175.2 | -74.8 | 177.7 | 19.7 | 0 | 0 | 112.9 | L86 L542 V544 | L86-Q546 HydrophobicContact CD1-CB 4.37Å; L86-Q546 HydrophobicContact CD1-CG 4.09Å; L542-Q546 WeakPolarHBondContact O-CB 3.23Å; L542-Q546 VanDerWaalsContact O-CG 3.28Å; L542-Q546 WeakPolarHBondContact O-CG 3.25Å; L542-Q546 PolarHBondContact O-N 2.95Å; V544-Q546 VanDerWaalsContact C-N 3.3Å; V544-Q546 PolarHBondContact O-N 3.07Å |
| 547 | R | 83.5 | Confident | 82.4 | Confident | 143 Ų | 143 | 56.2 Ų | 56.2 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.2 | -24.9 | 177.5 | -66.1 | 171.2 | -163.7 | -133.5 | 0.9 | 113.3 | D543 V544 T549 | D543-R547 VanDerWaalsContact CG-NE 3.27Å; D543-R547 VanDerWaalsContact CG-NH2 3.31Å; D543-R547 VanDerWaalsContact O-CG 3.26Å; D543-R547 WeakPolarHBondContact O-CG 3.32Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 VanDerWaalsContact O-N 3.15Å; D543-R547 IonicContact OD1-CZ 3.69Å; D543-R547 IonicContact OD1-NE 2.69Å; D543-R547 PolarHBondContact OD1-NE 3.4Å; D543-R547 IonicContact OD1-NH2 3.68Å; D543-R547 PolarHBondContact OD1-NH2 2.84Å; D543-R547 IonicContact OD2-CZ 3.54Å; D543-R547 IonicContact OD2-NE 2.78Å; D543-R547 PolarHBondContact OD2-NE 3.42Å; D543-R547 IonicContact OD2-NH2 3.67Å; D543-R547 PolarHBondContact OD2-NH2 3.34Å; V544-R547 PolarHBondContact O-N 3.13Å; R547-T549 PolarHBondContact O-N 3.04Å; R547-T549 VanDerWaalsContact O-N 3.11Å |
| 548 | S | 82.2 | Confident | 81.6 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | trans | -72.7 | 103.7 | -173.9 | 179 | 0 | 0 | 0 | 0 | 114.2 | V544 K550 I555 | V544-S548 WeakPolarHBondContact O-CB 3.37Å; V544-S548 PolarHBondContact O-N 3.02Å; V544-S548 VanDerWaalsContact O-N 3.09Å; S548-K550 VanDerWaalsContact C-N 3.34Å; S548-I555 WeakPolarHBondContact OG-CD1 3.38Å | ||
| 549 | T | 79.4 | Confident | 80.8 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 77% | 0.767 | 26% | 0.261 | S | S | * | . | trans | -78.6 | -12.5 | 168.8 | 55.5 | 0 | 0 | 0 | 0 | 114 | G84 R547 | G84-T549 WeakPolarHBondContact CA-O 3.36Å; R547-T549 PolarHBondContact O-N 3.04Å; R547-T549 VanDerWaalsContact O-N 3.11Å | ||
| 550 | K | 81.4 | Confident | 79.7 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -72.9 | 147.6 | -176.3 | -64.8 | 177.1 | -173.9 | 172.8 | 0 | 112.2 | G84 S548 I555 P569 | G84-K550 WeakPolarHBondContact CA-O 3.47Å; S548-K550 VanDerWaalsContact C-N 3.34Å; K550-I555 HydrophobicContact CB-CD1 3.99Å; K550-I555 HydrophobicContact CB-CG1 3.88Å; K550-P569 VanDerWaalsContact NZ-CD 3.31Å |
| 551 | P | 82.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | trans | -68.7 | 141.9 | 172.8 | 28.8 | -34.3 | 0 | 0 | 0 | 111.1 | G83 W553 R554 I555 | G83-P551 WeakPolarHBondContact O-CA 3.29Å; G83-P551 WeakPolarHBondContact O-CB 3.4Å; P551-W553 VanDerWaalsContact C-N 3.33Å; P551-W553 PolarHBondContact O-N 3.45Å; P551-R554 HydrophobicContact CG-CB 4.04Å; P551-R554 PolarHBondContact O-N 3.39Å; P551-R554 VanDerWaalsContact O-N 3.08Å; P551-I555 PolarHBondContact O-N 2.94Å | ||
| 552 | K | 83.8 | Confident | 76 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.9 | -41.2 | -173.1 | 178 | 160.3 | 47.3 | 178.9 | 0 | 113.9 | D16 D17 I85 S234 D235 A238 R554 I555 I556 | D16-K552 WeakPolarHBondContact OD1-CE 3.17Å; D16-K552 IonicContact OD1-NZ 3.03Å; D16-K552 PolarHBondContact OD1-NZ 3.05Å; D16-K552 WeakPolarHBondContact OD2-CE 3.26Å; D16-K552 IonicContact OD2-NZ 3.56Å; D17-K552 WeakPolarHBondContact OD1-CE 3.41Å; D17-K552 IonicContact OD1-NZ 3.95Å; D17-K552 PolarHBondContact OD1-NZ 3.02Å; D17-K552 IonicContact OD2-NZ 3.91Å; D17-K552 PolarHBondContact OD2-NZ 3.36Å; I85-K552 HydrophobicContact CG1-CB 4.43Å; I85-K552 HydrophobicContact CG2-CD 4.47Å; S234-K552 PolarHBondContact OG-NZ 2.68Å; D235-K552 IonicContact OD1-NZ 2.62Å; D235-K552 PolarHBondContact OD1-NZ 3.03Å; A238-K552 HydrophobicContact CB-CD 4.33Å; A238-K552 HydrophobicContact CB-CG 4.07Å; K552-R554 PolarHBondContact O-N 3.3Å; K552-I555 WeakPolarHBondContact O-CB 3.08Å; K552-I555 PolarHBondContact O-N 3.05Å; K552-I556 HydrophobicContact CD-CD1 4.4Å; K552-I556 HydrophobicContact CG-CD1 3.75Å; K552-I556 HydrophobicContact CG-CG1 4.44Å; K552-I556 WeakPolarHBondContact O-CG1 3.42Å; K552-I556 PolarHBondContact O-N 2.84Å |
| 553 | W | 80.1 | Confident | 74 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178 | 73.2 | -96.2 | 0 | 0 | 0 | 112.5 | V19 M81 P551 I555 I556 V557 | V19-W553 HydrophobicContact CG1-CB 4.35Å; V19-W553 HydrophobicContact CG1-CG 4.46Å; V19-W553 HydrophobicContact CG2-CB 4.49Å; M81-W553 HydrophobicContact SD-CZ2 4.42Å; P551-W553 VanDerWaalsContact C-N 3.33Å; P551-W553 PolarHBondContact O-N 3.45Å; W553-I555 VanDerWaalsContact C-N 3.29Å; W553-I555 PolarHBondContact O-N 2.73Å; W553-I556 PolarHBondContact O-N 3.43Å; W553-V557 WeakPolarHBondContact O-CB 3.33Å; W553-V557 VanDerWaalsContact O-CG2 3.29Å; W553-V557 WeakPolarHBondContact O-CG2 3.24Å; W553-V557 PolarHBondContact O-N 3.24Å |
| 554 | R | 82.7 | Confident | 71.7 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.6 | -28.5 | -178.6 | -168.1 | 176.1 | -176.6 | -172.5 | 2.5 | 111.8 | P551 K552 G558 E567 | P551-R554 HydrophobicContact CG-CB 4.04Å; P551-R554 PolarHBondContact O-N 3.39Å; P551-R554 VanDerWaalsContact O-N 3.08Å; K552-R554 PolarHBondContact O-N 3.3Å; R554-G558 WeakPolarHBondContact O-CA 3.31Å; R554-G558 PolarHBondContact O-N 3.2Å; R554-E567 IonicContact CZ-OE2 3.22Å; R554-E567 IonicContact NE-OE2 2.78Å; R554-E567 IonicContact NH2-OE2 3.21Å; R554-E567 PolarHBondContact NH2-OE2 2.96Å |
| 555 | I | 82.1 | Confident | 69.8 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.1 | -53.1 | 173.5 | -61.1 | 164.7 | 0 | 0 | 0 | 109.7 | I85 A238 V241 L242 S548 K550 P551 K552 W553 G558 A559 | I85-I555 HydrophobicContact CD1-CD1 3.71Å; I85-I555 HydrophobicContact CG1-CD1 4.06Å; A238-I555 HydrophobicContact CB-CG2 4.21Å; V241-I555 HydrophobicContact CB-CG2 3.99Å; V241-I555 HydrophobicContact CG1-CG2 3.76Å; L242-I555 HydrophobicContact CD1-CD1 4.18Å; L242-I555 HydrophobicContact CD2-CD1 4.31Å; L242-I555 HydrophobicContact CD2-CG1 4.36Å; L242-I555 HydrophobicContact CD2-CG2 4.08Å; L242-I555 HydrophobicContact CG-CD1 4.44Å; L242-I555 HydrophobicContact CG-CG2 3.86Å; S548-I555 WeakPolarHBondContact OG-CD1 3.38Å; K550-I555 HydrophobicContact CB-CD1 3.99Å; K550-I555 HydrophobicContact CB-CG1 3.88Å; P551-I555 PolarHBondContact O-N 2.94Å; K552-I555 WeakPolarHBondContact O-CB 3.08Å; K552-I555 PolarHBondContact O-N 3.05Å; W553-I555 VanDerWaalsContact C-N 3.29Å; W553-I555 PolarHBondContact O-N 2.73Å; I555-G558 CarbonylContact O-C 3.51Å; I555-G558 PolarHBondContact O-N 2.9Å; I555-A559 PolarHBondContact O-N 3.49Å; I555-A559 VanDerWaalsContact O-N 3.11Å |
| 556 | I | 78.3 | Confident | 67.7 | Low | 37 Ų | 37 | 71.7 Ų | 71.7 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -45.8 | -176.8 | -63.6 | 172.7 | 0 | 0 | 0 | 111.1 | I237 A238 K552 W553 G558 A559 L923 | I237-I556 HydrophobicContact CG2-CD1 4.4Å; I237-I556 HydrophobicContact CG2-CG1 4.37Å; A238-I556 HydrophobicContact CB-CG1 4.3Å; K552-I556 HydrophobicContact CD-CD1 4.4Å; K552-I556 HydrophobicContact CG-CD1 3.75Å; K552-I556 HydrophobicContact CG-CG1 4.44Å; K552-I556 WeakPolarHBondContact O-CG1 3.42Å; K552-I556 PolarHBondContact O-N 2.84Å; W553-I556 PolarHBondContact O-N 3.43Å; I556-G558 VanDerWaalsContact C-N 3.32Å; I556-G558 PolarHBondContact O-N 3.2Å; I556-A559 WeakPolarHBondContact O-CB 3.38Å; I556-A559 PolarHBondContact O-N 3.35Å; I556-L923 HydrophobicContact CG2-CD2 4.34Å |
| 557 | V | 75.5 | Confident | 65.5 | Low | 55 Ų | 55 | 70.1 Ų | 70.1 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 111 | W553 A559 T560 I563 | W553-V557 WeakPolarHBondContact O-CB 3.33Å; W553-V557 VanDerWaalsContact O-CG2 3.29Å; W553-V557 WeakPolarHBondContact O-CG2 3.24Å; W553-V557 PolarHBondContact O-N 3.24Å; V557-A559 PolarHBondContact O-N 3.05Å; V557-A559 VanDerWaalsContact O-N 3.15Å; V557-T560 WeakPolarHBondContact O-CB 3.07Å; V557-T560 PolarHBondContact O-N 2.86Å; V557-T560 PolarHBondContact O-OG1 3.35Å; V557-I563 HydrophobicContact CG1-CD1 3.97Å |
| 558 | G | 65.9 | Low | 63.5 | Low | 20 Ų | 20 | 67.3 Ų | 67.3 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 1.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q245 R554 I555 I556 | Q245-G558 PolarHBondContact NE2-O 3.05Å; R554-G558 WeakPolarHBondContact O-CA 3.31Å; R554-G558 PolarHBondContact O-N 3.2Å; I555-G558 CarbonylContact O-C 3.51Å; I555-G558 PolarHBondContact O-N 2.9Å; I556-G558 VanDerWaalsContact C-N 3.32Å; I556-G558 PolarHBondContact O-N 3.2Å |
| 559 | A | 66.1 | Low | 61.4 | Low | 14 Ų | 14 | 70.2 Ų | 70.2 | 12% | 0.116 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -25.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V241 I555 I556 V557 L923 | V241-A559 HydrophobicContact CB-CB 4.24Å; V241-A559 HydrophobicContact CG1-CB 3.66Å; V241-A559 HydrophobicContact CG2-CB 3.48Å; V241-A559 VanDerWaalsContact CG2-CB 3.48Å; I555-A559 PolarHBondContact O-N 3.49Å; I555-A559 VanDerWaalsContact O-N 3.11Å; I556-A559 WeakPolarHBondContact O-CB 3.38Å; I556-A559 PolarHBondContact O-N 3.35Å; V557-A559 PolarHBondContact O-N 3.05Å; V557-A559 VanDerWaalsContact O-N 3.15Å; A559-L923 HydrophobicContact CB-CD1 4.11Å |
| 560 | T | 61.1 | Low | 59.5 | Low | 32 Ų | 32 | 73.1 Ų | 73.1 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -72.8 | 151 | 179.4 | 73.9 | 0 | 0 | 0 | 0 | 110.3 | V557 C562 | V557-T560 WeakPolarHBondContact O-CB 3.07Å; V557-T560 PolarHBondContact O-N 2.86Å; V557-T560 PolarHBondContact O-OG1 3.35Å; T560-C562 PolarHBondContact O-N 3.2Å |
| 561 | K | 52.6 | Low | 57.6 | Low | 125 Ų | 125 | 77.1 Ų | 77.1 | 54% | 0.543 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 1 | -176.5 | -75 | 168.4 | 166.9 | 160.4 | 0 | 115.3 | D924 | K561-D924 VanDerWaalsContact CE-OD2 3.29Å; K561-D924 WeakPolarHBondContact CE-OD2 3.38Å; K561-D924 IonicContact NZ-OD1 3.42Å; K561-D924 IonicContact NZ-OD2 3.61Å; K561-D924 PolarHBondContact NZ-OD2 2.88Å |
| 562 | C | 37.6 | Very low | 55.4 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5.4 | -170.3 | -58.8 | 0 | 0 | 0 | 0 | 115.2 | T560 | T560-C562 PolarHBondContact O-N 3.2Š|
| 563 | I | 42.3 | Very low | 53.2 | Low | 58 Ų | 58 | 89.3 Ų | 89.3 | 30% | 0.297 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -107.6 | 129.1 | 176.6 | -64.6 | -173.1 | 0 | 0 | 0 | 110 | V557 E567 | V557-I563 HydrophobicContact CG1-CD1 3.97Å; I563-E567 HydrophobicContact CG2-CB 3.98Å |
| 564 | P | 36.8 | Very low | 51 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | trans | -67.5 | 147.9 | -177.6 | 27.6 | -35.2 | 0 | 0 | 0 | 112.3 | S566 E567 | P564-S566 PolarHBondContact O-N 2.88Å; P564-E567 PolarHBondContact O-N 3.45Å; P564-E567 VanDerWaalsContact O-N 3.08Å | ||
| 565 | K | 44.7 | Very low | 48.8 | Very low | 155 Ų | 155 | 91 Ų | 91 | 67% | 0.674 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -55.5 | -23.2 | -177.2 | -63.2 | 167.9 | -173.3 | 161.6 | 0 | 113.7 | E567 L568 | K565-E567 VanDerWaalsContact C-N 3.3Å; K565-E567 PolarHBondContact O-N 3.28Å; K565-L568 PolarHBondContact O-N 3.45Å |
| 566 | S | 39.2 | Very low | 46.3 | Very low | 107 Ų | 107 | 96 Ų | 96 | 75% | 0.748 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -73.4 | -8.1 | 179.2 | 52.8 | 0 | 0 | 0 | 0 | 115.4 | P564 | P564-S566 PolarHBondContact O-N 2.88Š|
| 567 | E | 37.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -90.8 | -3.3 | 170.2 | -96.3 | -158 | -129.1 | 0 | 0 | 113.9 | R554 I563 P564 K565 | R554-E567 IonicContact CZ-OE2 3.22Å; R554-E567 IonicContact NE-OE2 2.78Å; R554-E567 IonicContact NH2-OE2 3.21Å; R554-E567 PolarHBondContact NH2-OE2 2.96Å; I563-E567 HydrophobicContact CG2-CB 3.98Å; P564-E567 PolarHBondContact O-N 3.45Å; P564-E567 VanDerWaalsContact O-N 3.08Å; K565-E567 VanDerWaalsContact C-N 3.3Å; K565-E567 PolarHBondContact O-N 3.28Å |
| 568 | L | 41.5 | Very low | 42.4 | Very low | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -77.4 | 126 | 166.2 | -85.2 | 65.4 | 0 | 0 | 0 | 108.3 | K565 | K565-L568 PolarHBondContact O-N 3.45Š|
| 569 | P | 39 | Very low | 40.7 | Very low | 77 Ų | 77 | 106 Ų | 106 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 138 | 163.8 | -15.1 | 29.3 | 0 | 0 | 0 | 109.1 | K550 E571 | K550-P569 VanDerWaalsContact NZ-CD 3.31Å; P569-E571 PolarHBondContact O-N 3.49Å |
| 570 | E | 38.7 | Very low | 39.1 | Very low | 186 Ų | 186 | 111.7 Ų | 111.7 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.8 | 145.5 | -66.8 | 174.8 | 121.3 | 0 | 0 | 106.8 | V572 | E570-V572 PolarHBondContact O-N 2.91Å; E570-V572 VanDerWaalsContact O-N 3.17Å |
| 571 | E | 41.7 | Very low | 37.6 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -69.9 | 110.1 | 162.4 | -72.4 | -166.5 | 163.8 | 0 | 0 | 106.2 | P569 E573 | P569-E571 PolarHBondContact O-N 3.49Å; E571-E573 PolarHBondContact O-N 3.23Å | ||
| 572 | V | 36.5 | Very low | 36.9 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -54.4 | 113.7 | 168.6 | 175 | 0 | 0 | 0 | 0 | 107.1 | E570 V574 | E570-V572 PolarHBondContact O-N 2.91Å; E570-V572 VanDerWaalsContact O-N 3.17Å; V572-V574 VanDerWaalsContact C-N 3.3Å; V572-V574 PolarHBondContact O-N 3.34Å | ||
| 573 | E | 38.1 | Very low | 36.5 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | trans | -64.4 | 93.2 | 174.7 | -77.1 | -153.7 | 130 | 0 | 0 | 109.4 | E571 T575 | E571-E573 PolarHBondContact O-N 3.23Å; E573-T575 VanDerWaalsContact C-N 3.25Å; E573-T575 PolarHBondContact O-N 3.04Å; E573-T575 PolarHBondContact O-OG1 3.11Å; E573-T575 VanDerWaalsContact O-OG1 3.13Å | ||
| 574 | V | 34 | Very low | 36 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | trans | -67.1 | 96.2 | 160.4 | -171 | 0 | 0 | 0 | 0 | 105.7 | V572 T576 | V572-V574 VanDerWaalsContact C-N 3.3Å; V572-V574 PolarHBondContact O-N 3.34Å; V574-T576 HydrophobicContact CG1-CG2 4Å; V574-T576 PolarHBondContact O-N 3.16Å | ||
| 575 | T | 34.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | trans | -72.5 | 65.1 | -171.7 | -17.5 | 0 | 0 | 0 | 0 | 110.8 | E573 L577 | E573-T575 VanDerWaalsContact C-N 3.25Å; E573-T575 PolarHBondContact O-N 3.04Å; E573-T575 PolarHBondContact O-OG1 3.11Å; E573-T575 VanDerWaalsContact O-OG1 3.13Å; T575-L577 VanDerWaalsContact C-N 3.31Å; T575-L577 PolarHBondContact O-N 2.79Å | ||
| 576 | T | 31.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -70.5 | 88.2 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | V574 A578 | V574-T576 HydrophobicContact CG1-CG2 4Å; V574-T576 PolarHBondContact O-N 3.16Å; T576-A578 PolarHBondContact O-N 3.2Å | ||
| 577 | L | 32.3 | Very low | 35.2 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.1 | 113.7 | 174.4 | -159.9 | 172.9 | 0 | 0 | 0 | 111.7 | T575 S579 | T575-L577 VanDerWaalsContact C-N 3.31Å; T575-L577 PolarHBondContact O-N 2.79Å; L577-S579 PolarHBondContact O-N 3.32Å |
| 578 | A | 37.9 | Very low | 35.1 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 60% | 0.603 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.3 | 64 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | T576 T580 | T576-A578 PolarHBondContact O-N 3.2Å; A578-T580 PolarHBondContact O-N 2.83Å |
| 579 | S | 30.6 | Very low | 35 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -77 | 50 | 161.2 | -157.1 | 0 | 0 | 0 | 0 | 112.2 | L577 R581 | L577-S579 PolarHBondContact O-N 3.32Å; S579-R581 PolarHBondContact O-N 3.17Å | ||
| 580 | T | 33.3 | Very low | 35 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -75.4 | 43.4 | 167.9 | -41.9 | 0 | 0 | 0 | 0 | 109.9 | A578 | A578-T580 PolarHBondContact O-N 2.83Š| ||
| 581 | R | 30.3 | Very low | 35 | Very low | 204 Ų | 204 | 127.6 Ų | 127.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | -105.4 | 85.9 | 179.6 | -76 | -167.7 | 174.8 | -158.7 | -0.2 | 110.1 | S579 W583 | S579-R581 PolarHBondContact O-N 3.17Å; R581-W583 PolarHBondContact O-N 2.81Å | ||
| 582 | L | 36.4 | Very low | 34.9 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | 36.2 | 64.9 | 130.5 | -162.5 | 72.1 | 0 | 0 | 0 | 116.1 | T584 | L582-T584 HydrophobicContact CD1-CG2 3.84Å; L582-T584 VanDerWaalsContact CD1-OG1 3.25Å; L582-T584 WeakPolarHBondContact CD1-OG1 3.07Å; L582-T584 VanDerWaalsContact CG-OG1 3.31Å; L582-T584 WeakPolarHBondContact CG-OG1 3.43Å; L582-T584 PolarHBondContact O-N 3.13Å; L582-T584 VanDerWaalsContact O-N 3.07Å | ||
| 583 | W | 29.7 | Very low | 35.3 | Very low | 245 Ų | 245 | 120.8 Ų | 120.8 | 93% | 0.928 | 66% | 0.66 | S | S | * | * | trans | -81.3 | 47.5 | 164.1 | -75 | 97.7 | 0 | 0 | 0 | 111.4 | R581 | R581-W583 PolarHBondContact O-N 2.81Š| ||
| 584 | T | 32.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | trans | -92.6 | 95.3 | 171.2 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | L582 | L582-T584 HydrophobicContact CD1-CG2 3.84Å; L582-T584 VanDerWaalsContact CD1-OG1 3.25Å; L582-T584 WeakPolarHBondContact CD1-OG1 3.07Å; L582-T584 VanDerWaalsContact CG-OG1 3.31Å; L582-T584 WeakPolarHBondContact CG-OG1 3.43Å; L582-T584 PolarHBondContact O-N 3.13Å; L582-T584 VanDerWaalsContact O-N 3.07Å | ||
| 585 | H | 28.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 114.9 Ų | 114.9 | 87% | 0.866 | 65% | 0.646 | S | S | * | * | trans | -156.8 | 151.8 | 149 | -94.6 | -47.1 | 0 | 0 | 0 | 109.9 | ||||
| 586 | P | 43 | Very low | 37 | Very low | 91 Ų | 91 | 111 Ų | 111 | 59% | 0.591 | 62% | 0.624 | S | S | * | * | -120.2 | 169.7 | -126.1 | 35.9 | -23.1 | 0 | 0 | 0 | 114.5 | |||||
| 587 | S | 30.8 | Very low | 38.9 | Very low | 78 Ų | 78 | 109.1 Ų | 109.1 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | trans | -147.2 | 63.1 | 154.4 | 37.6 | 0 | 0 | 0 | 0 | 110.8 | L589 | S587-L589 VanDerWaalsContact C-N 3.29Å; S587-L589 PolarHBondContact O-N 3.32Å | ||
| 588 | D | 35.1 | Very low | 41.1 | Very low | 108 Ų | 108 | 104.8 Ų | 104.8 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 59.7 | 12.2 | 137.1 | -45.6 | -18.9 | 0 | 0 | 0 | 120 | ||
| 589 | L | 39.1 | Very low | 43.6 | Very low | 88 Ų | 88 | 101.9 Ų | 101.9 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -140.7 | -1.6 | 157.8 | -140 | 80.5 | 0 | 0 | 0 | 115.3 | R227 S587 I591 A592 | R227-L589 VanDerWaalsContact NH1-CD2 3.32Å; S587-L589 VanDerWaalsContact C-N 3.29Å; S587-L589 PolarHBondContact O-N 3.32Å; L589-I591 PolarHBondContact O-N 3.39Å; L589-I591 VanDerWaalsContact O-N 3.17Å; L589-A592 PolarHBondContact O-N 3.16Å |
| 590 | T | 39.2 | Very low | 46.5 | Very low | 73 Ų | 73 | 98.4 Ų | 98.4 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -19.4 | 171.7 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | A592 L593 S594 | T590-A592 VanDerWaalsContact C-N 3.27Å; T590-A592 PolarHBondContact O-N 2.7Å; T590-L593 PolarHBondContact O-N 2.78Å; T590-S594 WeakPolarHBondContact O-CB 3.37Å; T590-S594 PolarHBondContact O-N 2.88Å; T590-S594 PolarHBondContact O-OG 3.13Å |
| 591 | I | 38.9 | Very low | 49.5 | Very low | 130 Ų | 130 | 92.1 Ų | 92.1 | 67% | 0.667 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -30.1 | 178.8 | -61 | 173.4 | 0 | 0 | 0 | 112.1 | L589 A595 | L589-I591 PolarHBondContact O-N 3.39Å; L589-I591 VanDerWaalsContact O-N 3.17Å; I591-A595 WeakPolarHBondContact O-CB 3.35Å |
| 592 | A | 41.2 | Very low | 52.6 | Low | 77 Ų | 77 | 82.4 Ų | 82.4 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.8 | -46.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L589 T590 | L589-A592 PolarHBondContact O-N 3.16Å; T590-A592 VanDerWaalsContact C-N 3.27Å; T590-A592 PolarHBondContact O-N 2.7Å |
| 593 | L | 43 | Very low | 55.5 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.4 | -43.6 | -178 | -103.6 | 151.8 | 0 | 0 | 0 | 112 | L531 E535 T590 A595 S596 | L531-L593 HydrophobicContact CB-CD2 4.2Å; L531-L593 HydrophobicContact CD1-CD2 4.23Å; L531-L593 HydrophobicContact CD2-CD2 4.11Å; L531-L593 HydrophobicContact CG-CD2 4.42Å; E535-L593 HydrophobicContact CG-CD2 4.29Å; E535-L593 WeakPolarHBondContact OE1-CB 3.46Å; T590-L593 PolarHBondContact O-N 2.78Å; L593-A595 PolarHBondContact O-N 3.05Å; L593-A595 VanDerWaalsContact O-N 3.1Å; L593-S596 WeakPolarHBondContact O-CB 3.27Å; L593-S596 PolarHBondContact O-N 3.21Å; L593-S596 PolarHBondContact O-OG 3.27Å |
| 594 | S | 39.9 | Very low | 58.7 | Low | 78 Ų | 78 | 70.4 Ų | 70.4 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 3.2 | -177.3 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | E535 T590 | E535-S594 VanDerWaalsContact OE1-CA 3.25Å; E535-S594 WeakPolarHBondContact OE1-CA 3.32Å; E535-S594 PolarHBondContact OE1-N 3.33Å; E535-S594 VanDerWaalsContact OE1-N 3.07Å; E535-S594 PolarHBondContact OE1-OG 3.31Å; E535-S594 PolarHBondContact OE2-OG 2.93Å; T590-S594 WeakPolarHBondContact O-CB 3.37Å; T590-S594 PolarHBondContact O-N 2.88Å; T590-S594 PolarHBondContact O-OG 3.13Å |
| 595 | A | 45 | Very low | 61.7 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I591 L593 T597 | I591-A595 WeakPolarHBondContact O-CB 3.35Å; L593-A595 PolarHBondContact O-N 3.05Å; L593-A595 VanDerWaalsContact O-N 3.1Å; A595-T597 PolarHBondContact O-N 2.84Å |
| 596 | S | 59.7 | Low | 64.9 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 124.9 | -179.7 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | L593 | L593-S596 WeakPolarHBondContact O-CB 3.27Å; L593-S596 PolarHBondContact O-N 3.21Å; L593-S596 PolarHBondContact O-OG 3.27Å |
| 597 | T | 70.2 | Confident | 67.4 | Low | 70 Ų | 70 | 53 Ų | 53 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 136.1 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | L427 A595 L599 | L427-T597 HydrophobicContact CD1-CG2 4.35Å; A595-T597 PolarHBondContact O-N 2.84Å; T597-L599 PolarHBondContact O-N 3.18Å; T597-L599 VanDerWaalsContact O-N 3.16Å |
| 598 | P | 78.9 | Confident | 70.4 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 119.7 | 176.1 | 25.9 | -33.8 | 0 | 0 | 0 | 110.4 | Y600 | P598-Y600 HydrophobicContact CB-CE2 4.29Š|
| 599 | L | 89.3 | Confident | 73.1 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -105.9 | 151.7 | 173.8 | -57.4 | -179.7 | 0 | 0 | 0 | 110.1 | A414 L427 G501 G502 L504 T597 | A414-L599 HydrophobicContact CB-CD1 4.17Å; L427-L599 HydrophobicContact CB-CD2 4.34Å; G501-L599 CarbonylContact O-C 3.59Å; G502-L599 VanDerWaalsContact C-CB 3.41Å; G502-L599 VanDerWaalsContact O-CD1 3.24Å; G502-L599 WeakPolarHBondContact O-CD1 3.49Å; L504-L599 CarbonylContact O-C 3.56Å; L504-L599 VanDerWaalsContact O-CA 3.25Å; L504-L599 WeakPolarHBondContact O-CA 3.47Å; T597-L599 PolarHBondContact O-N 3.18Å; T597-L599 VanDerWaalsContact O-N 3.16Å | ||
| 600 | Y | 93.1 | Very high | 75.3 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 154.2 | -169.7 | -61 | -80.3 | 0 | 0 | 0 | 112.3 | G501 L504 E506 P598 K635 | G501-Y600 CarbonylContact O-C 3.58Å; G501-Y600 WeakPolarHBondContact O-CA 3.47Å; G501-Y600 PolarHBondContact O-N 3.13Å; L504-Y600 PolarHBondContact N-O 3.02Å; L504-Y600 PolarHBondContact O-N 2.77Å; E506-Y600 HydrophobicContact CB-CD2 4.26Å; E506-Y600 HydrophobicContact CB-CE2 3.97Å; E506-Y600 HydrophobicContact CG-CE2 4.38Å; P598-Y600 HydrophobicContact CB-CE2 4.29Å; Y600-K635 HydrophobicContact CD1-CG 4.19Å; Y600-K635 HydrophobicContact CE1-CB 4.29Å; Y600-K635 HydrophobicContact CE1-CD 4.36Å; Y600-K635 HydrophobicContact CE1-CG 3.85Å |
| 601 | P | 95.3 | Very high | 77.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -67.3 | 147 | 173.9 | 27 | -34 | 0 | 0 | 0 | 111.2 | G501 M509 I605 N634 F637 | G501-P601 WeakPolarHBondContact O-CD 3.36Å; G501-P601 VanDerWaalsContact O-N 3.09Å; M509-P601 VanDerWaalsContact CG-O 3.32Å; M509-P601 WeakPolarHBondContact CG-O 3.35Å; P601-I605 HydrophobicContact CB-CD1 4.21Å; P601-I605 HydrophobicContact CG-CD1 3.82Å; P601-N634 WeakPolarHBondContact CD-O 3.37Å; P601-N634 HydrophobicContact CG-CB 4.46Å; P601-N634 PolarHBondContact O-ND2 3.42Å; P601-F637 HydrophobicContact CG-CB 4.45Å; P601-F637 HydrophobicContact CG-CD2 4.17Å; P601-F637 HydrophobicContact CG-CG 4.49Å | ||
| 602 | P | 96.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -80 | 162.4 | -171.4 | 34.7 | -38.4 | 0 | 0 | 0 | 113.7 | A479 P499 L503 L504 V516 A518 | A479-P602 HydrophobicContact CB-CB 3.95Å; A479-P602 HydrophobicContact CB-CG 3.86Å; P499-P602 HydrophobicContact CB-CG 3.86Å; P499-P602 HydrophobicContact CG-CG 3.95Å; L503-P602 HydrophobicContact CD2-CB 3.99Å; L503-P602 HydrophobicContact CD2-CG 3.57Å; L504-P602 HydrophobicContact CD1-CB 3.76Å; V516-P602 HydrophobicContact CG1-CB 4.23Å; V516-P602 HydrophobicContact CG1-CG 4.4Å; A518-P602 WeakPolarHBondContact CB-O 3.27Å | ||
| 603 | G | 96.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 73 | -170.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S512 K513 V516 N634 | S512-G603 PolarHBondContact OG-N 3Å; K513-G603 WeakPolarHBondContact CG-O 3.33Å; V516-G603 CarbonylContact O-C 3.57Å; V516-G603 WeakPolarHBondContact O-CA 3.26Å; G603-N634 PolarHBondContact O-ND2 3.17Å |
| 604 | R | 96.4 | Very high | 79.8 | Confident | 138 Ų | 138 | 38.3 Ų | 38.3 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117 | 169.3 | -56.7 | -175.2 | -165.3 | -145.1 | -4.5 | 108.5 | K513 V516 A518 W631 | K513-R604 HydrophobicContact CB-CG 3.89Å; K513-R604 HydrophobicContact CG-CG 4.1Å; K513-R604 PolarHBondContact O-NE 3.29Å; K513-R604 PolarHBondContact O-NH2 2.8Å; V516-R604 PolarHBondContact O-N 2.67Å; A518-R604 PolarHBondContact N-O 2.82Å; R604-W631 HydrophobicContact CB-CE3 4.49Å; R604-W631 HydrophobicContact CB-CZ3 3.9Å |
| 605 | I | 96.2 | Very high | 80.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.2 | -175.7 | -59.2 | 175.2 | 0 | 0 | 0 | 110.5 | A518 V520 P601 H607 G632 N634 F637 | A518-I605 HydrophobicContact CB-CG1 4.05Å; A518-I605 WeakPolarHBondContact O-CA 3.49Å; V520-I605 HydrophobicContact CG2-CG2 4.07Å; P601-I605 HydrophobicContact CB-CD1 4.21Å; P601-I605 HydrophobicContact CG-CD1 3.82Å; I605-H607 HydrophobicContact CG2-CB 4.47Å; I605-G632 PolarHBondContact O-N 3.24Å; I605-N634 HydrophobicContact CD1-CB 4.25Å; I605-F637 HydrophobicContact CD1-CD2 3.96Å; I605-F637 HydrophobicContact CD1-CE2 3.57Å; I605-F637 HydrophobicContact CD1-CZ 4.42Å; I605-F637 HydrophobicContact CG2-CE2 4.11Å; I605-F637 HydrophobicContact CG2-CZ 4.05Å |
| 606 | I | 96.3 | Very high | 79.9 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 105.6 | 163 | -59.1 | 173.9 | 0 | 0 | 0 | 106.8 | Y289 V292 T517 A518 V519 V520 A629 W631 | Y289-I606 HydrophobicContact CD2-CG2 4.46Å; Y289-I606 HydrophobicContact CE2-CG2 3.99Å; V292-I606 HydrophobicContact CG2-CD1 4.14Å; T517-I606 HydrophobicContact CG2-CD1 3.81Å; T517-I606 HydrophobicContact CG2-CG1 4.34Å; A518-I606 PolarHBondContact O-N 3.09Å; V519-I606 WeakPolarHBondContact CA-O 3.32Å; V520-I606 PolarHBondContact N-O 3.48Å; V520-I606 VanDerWaalsContact N-O 3.07Å; I606-A629 HydrophobicContact CG2-CB 3.97Å; I606-W631 HydrophobicContact CD1-CH2 4.21Å; I606-W631 HydrophobicContact CD1-CZ3 4.24Å; I606-W631 HydrophobicContact CG1-CE3 4.06Å; I606-W631 HydrophobicContact CG1-CH2 3.99Å; I606-W631 HydrophobicContact CG1-CZ3 3.56Å |
| 607 | H | 95.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.7 | 176.6 | -165.5 | 171.1 | 0 | 0 | 0 | 108.7 | M269 V520 G522 I605 V609 I630 F637 | M269-H607 WeakPolarHBondContact CG-CE1 3.23Å; V520-H607 CarbonylContact O-C 3.41Å; V520-H607 WeakPolarHBondContact O-CA 3.42Å; V520-H607 PolarHBondContact O-CD2 3.45Å; G522-H607 PolarHBondContact O-CE1 3.37Å; G522-H607 PolarHBondContact O-NE2 2.88Å; I605-H607 HydrophobicContact CG2-CB 4.47Å; H607-V609 PolarHBondContact O-N 3.05Å; H607-I630 HydrophobicContact CB-CG1 3.91Å; H607-I630 PolarHBondContact N-O 3.37Å; H607-I630 PolarHBondContact O-N 3.06Å; H607-F637 AromaticContact CE1-CE1 3.98Å; H607-F637 AromaticContact ND1-CZ 3.73Å |
| 608 | V | 94.6 | Very high | 77.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 101.8 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 108 | V520 L521 G522 Y627 F628 L659 V662 | V520-V608 PolarHBondContact O-N 3.45Å; L521-V608 HydrophobicContact CD1-CB 3.82Å; L521-V608 HydrophobicContact CD1-CG1 3.6Å; G522-V608 PolarHBondContact N-O 2.69Å; V608-Y627 HydrophobicContact CG1-CD1 4Å; V608-F628 CarbonylContact C-O 3.39Å; V608-F628 WeakPolarHBondContact CA-O 3.45Å; V608-L659 HydrophobicContact CG2-CD2 4.01Å; V608-V662 HydrophobicContact CG1-CG2 3.72Å; V608-V662 HydrophobicContact CG2-CG2 4.47Å |
| 609 | V | 91 | Very high | 75.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 149.5 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | L266 H607 F628 I630 | L266-V609 HydrophobicContact CB-CB 4.09Å; L266-V609 HydrophobicContact CB-CG2 4.06Å; L266-V609 HydrophobicContact CD1-CG2 4.15Å; H607-V609 PolarHBondContact O-N 3.05Å; V609-F628 HydrophobicContact CG2-CB 4.37Å; V609-F628 PolarHBondContact N-O 2.69Å; V609-F628 PolarHBondContact O-N 3.13Å; V609-F628 VanDerWaalsContact O-O 3.12Å; V609-I630 HydrophobicContact CG1-CD1 3.86Å; V609-I630 HydrophobicContact CG1-CG1 4.23Å; V609-I630 HydrophobicContact CG2-CD1 4.24Å; V609-I630 HydrophobicContact CG2-CG1 4.39Å; V609-I630 HydrophobicContact CG2-CG2 4.19Å |
| 610 | H | 85.4 | Confident | 73.7 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.1 | 177.1 | 54.4 | -112.9 | 0 | 0 | 0 | 110.7 | S267 H612 T626 Y627 E649 | S267-H610 PolarHBondContact OG-CD2 2.8Å; S267-H610 PolarHBondContact OG-CE1 2.83Å; S267-H610 VanDerWaalsContact OG-CE1 3.3Å; S267-H610 PolarHBondContact OG-N 3.22Å; S267-H610 PolarHBondContact OG-ND1 2.77Å; S267-H610 PolarHBondContact OG-NE2 3.41Å; S267-H610 VanDerWaalsContact OG-NE2 3.12Å; S267-H610 PolarHBondContact OG-O 2.78Å; H610-H612 AromaticContact CD2-CE1 3.42Å; H610-H612 PolarHBondContact CD2-CE1 3Å; H610-H612 VanDerWaalsContact CD2-CE1 3.42Å; H610-H612 AromaticContact CD2-ND1 3.31Å; H610-H612 PolarHBondContact CD2-ND1 3.15Å; H610-H612 VanDerWaalsContact CD2-ND1 3.31Å; H610-H612 AromaticContact NE2-CE1 3.49Å; H610-H612 PolarHBondContact NE2-CE1 3.4Å; H610-H612 AromaticContact NE2-ND1 3.68Å; H610-T626 CarbonylContact C-O 3.54Å; H610-T626 VanDerWaalsContact CA-O 3.23Å; H610-T626 WeakPolarHBondContact CA-O 3.24Å; H610-Y627 HydrophobicContact CB-CD1 4.08Å; H610-Y627 HydrophobicContact CB-CD2 4.37Å; H610-Y627 HydrophobicContact CB-CE1 4.17Å; H610-Y627 HydrophobicContact CB-CE2 4.44Å; H610-Y627 HydrophobicContact CB-CG 4.18Å; H610-E649 IonicContact CE1-OE1 2.73Å; H610-E649 PolarHBondContact CE1-OE1 3.21Å; H610-E649 VanDerWaalsContact CE1-OE1 3.31Å; H610-E649 IonicContact CE1-OE2 3.42Å; H610-E649 IonicContact NE2-OE1 3.54Å |
| 611 | N | 77.9 | Confident | 71.4 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | 164.2 | -164.9 | 21.3 | 0 | 0 | 0 | 109.4 | L266 P625 T626 F628 | L266-N611 HydrophobicContact CD2-CB 3.7Å; N611-P625 WeakPolarHBondContact O-CA 3.26Å; N611-T626 PolarHBondContact N-O 3.25Å; N611-T626 PolarHBondContact O-N 2.78Å; N611-T626 VanDerWaalsContact O-N 3.09Å; N611-F628 HydrophobicContact CB-CE2 4.38Å |
| 612 | H | 68.3 | Low | 69.5 | Low | 113 Ų | 113 | 70.6 Ų | 70.6 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 124.3 | 164.7 | -75.1 | 80 | 0 | 0 | 0 | 107.2 | H610 | H610-H612 AromaticContact CD2-CE1 3.42Å; H610-H612 PolarHBondContact CD2-CE1 3Å; H610-H612 VanDerWaalsContact CD2-CE1 3.42Å; H610-H612 AromaticContact CD2-ND1 3.31Å; H610-H612 PolarHBondContact CD2-ND1 3.15Å; H610-H612 VanDerWaalsContact CD2-ND1 3.31Å; H610-H612 AromaticContact NE2-CE1 3.49Å; H610-H612 PolarHBondContact NE2-CE1 3.4Å; H610-H612 AromaticContact NE2-ND1 3.68Å |
| 613 | P | 59 | Low | 67.8 | Low | 43 Ų | 43 | 76.2 Ų | 76.2 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 152.4 | 171.8 | 27 | -34.3 | 0 | 0 | 0 | 110 | E615 E623 | P613-E615 PolarHBondContact O-N 2.93Å; P613-E623 HydrophobicContact CB-CB 4.22Å; P613-E623 HydrophobicContact CG-CB 3.87Å; P613-E623 WeakPolarHBondContact CG-O 3.15Å |
| 614 | A | 52.1 | Low | 66.4 | Low | 93 Ų | 93 | 81.4 Ų | 81.4 | 77% | 0.769 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 124.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q616 | A614-Q616 PolarHBondContact O-N 3.49Š|
| 615 | E | 47.1 | Very low | 65.3 | Low | 123 Ų | 123 | 76.8 Ų | 76.8 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | trans | -58.9 | 94 | -178.8 | -66.7 | 169 | 129.8 | 0 | 0 | 110.6 | P613 | P613-E615 PolarHBondContact O-N 2.93Š| ||
| 616 | Q | 39.1 | Very low | 64.6 | Low | 152 Ų | 152 | 77.8 Ų | 77.8 | 71% | 0.71 | 43% | 0.432 | S | S | * | . | trans | -69.7 | 164.9 | 163.5 | -83.3 | -175.2 | -20.5 | 0 | 0 | 110.2 | A614 | A614-Q616 PolarHBondContact O-N 3.49Š| ||
| 617 | C | 38.8 | Very low | 64.2 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 69% | 0.689 | 44% | 0.437 | S | S | * | . | trans | -57.2 | 152.4 | -169 | -161.2 | 0 | 0 | 0 | 0 | 112.7 | C619 C620 | C617-C619 PolarHBondContact O-N 2.85Å; C617-C620 PolarHBondContact O-N 3.49Å | ||
| 618 | C | 43.2 | Very low | 63.8 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 86% | 0.858 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 12.2 | -167.6 | -53.5 | 0 | 0 | 0 | 0 | 116.8 | ||
| 619 | C | 42.9 | Very low | 63.7 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 83% | 0.831 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -3.3 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | C617 | C617-C619 PolarHBondContact O-N 2.85Š|
| 620 | C | 43.3 | Very low | 63.7 | Low | 75 Ų | 75 | 80.4 Ų | 80.4 | 51% | 0.507 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -103.4 | 149 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | C617 Q622 | C617-C620 PolarHBondContact O-N 3.49Å; C620-Q622 PolarHBondContact O-N 3.39Å |
| 621 | E | 43.9 | Very low | 64.1 | Low | 199 Ų | 199 | 83.3 Ų | 83.3 | 93% | 0.93 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 130.9 | 170.5 | -63.1 | -174.2 | 144.8 | 0 | 0 | 110.3 | ||
| 622 | Q | 55.4 | Low | 64.7 | Low | 140 Ų | 140 | 82 Ų | 82 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 119.9 | -178.6 | -61.2 | -167.8 | -34.9 | 0 | 0 | 109.8 | C620 E624 | C620-Q622 PolarHBondContact O-N 3.39Å; Q622-E624 PolarHBondContact O-N 3.16Å |
| 623 | E | 61.3 | Low | 65.8 | Low | 117 Ų | 117 | 80.6 Ų | 80.6 | 55% | 0.547 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51 | 132.2 | 171.7 | -87 | -169.6 | 168.4 | 0 | 0 | 110.3 | P613 K678 | P613-E623 HydrophobicContact CB-CB 4.22Å; P613-E623 HydrophobicContact CG-CB 3.87Å; P613-E623 WeakPolarHBondContact CG-O 3.15Å; E623-K678 IonicContact OE1-NZ 2.77Å; E623-K678 PolarHBondContact OE1-NZ 3.21Å; E623-K678 IonicContact OE2-NZ 2.89Å; E623-K678 PolarHBondContact OE2-NZ 3.38Å |
| 624 | E | 65.9 | Low | 67.4 | Low | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 133.2 | 175.1 | -66 | -171.3 | 125.2 | 0 | 0 | 110.8 | Q622 T626 K668 | Q622-E624 PolarHBondContact O-N 3.16Å; E624-T626 PolarHBondContact O-N 2.85Å; E624-K668 IonicContact OE2-NZ 2.64Å; E624-K668 PolarHBondContact OE2-NZ 3.06Å |
| 625 | P | 73.9 | Confident | 69.2 | Low | 41 Ų | 41 | 78.1 Ų | 78.1 | 27% | 0.266 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 134.5 | 175.3 | 22.5 | -31 | 0 | 0 | 0 | 110.5 | N611 Y627 | N611-P625 WeakPolarHBondContact O-CA 3.26Å; P625-Y627 HydrophobicContact CB-CE2 4.23Å; P625-Y627 HydrophobicContact CG-CE2 4.11Å; P625-Y627 VanDerWaalsContact O-CD2 3.23Å; P625-Y627 WeakPolarHBondContact O-CD2 3.09Å; P625-Y627 WeakPolarHBondContact O-CE2 3.05Å |
| 626 | T | 81 | Confident | 71.2 | Confident | 22 Ų | 22 | 74 Ų | 74 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.7 | -173.5 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | H610 N611 E624 F628 K670 | H610-T626 CarbonylContact C-O 3.54Å; H610-T626 VanDerWaalsContact CA-O 3.23Å; H610-T626 WeakPolarHBondContact CA-O 3.24Å; N611-T626 PolarHBondContact N-O 3.25Å; N611-T626 PolarHBondContact O-N 2.78Å; N611-T626 VanDerWaalsContact O-N 3.09Å; E624-T626 PolarHBondContact O-N 2.85Å; T626-F628 VanDerWaalsContact CB-CZ 3.44Å; T626-F628 WeakPolarHBondContact O-CE2 3.28Å; T626-F628 WeakPolarHBondContact OG1-CE2 3.45Å; T626-F628 WeakPolarHBondContact OG1-CZ 3.4Å; T626-K670 HydrophobicContact CG2-CD 4.09Å |
| 627 | Y | 88.5 | Confident | 73.6 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.6 | -172.4 | -69.7 | -115.2 | 0 | 0 | 0 | 110.8 | L521 V608 H610 P625 K661 N665 | L521-Y627 HydrophobicContact CD1-CD1 4.47Å; L521-Y627 HydrophobicContact CD1-CE1 4.3Å; V608-Y627 HydrophobicContact CG1-CD1 4Å; H610-Y627 HydrophobicContact CB-CD1 4.08Å; H610-Y627 HydrophobicContact CB-CD2 4.37Å; H610-Y627 HydrophobicContact CB-CE1 4.17Å; H610-Y627 HydrophobicContact CB-CE2 4.44Å; H610-Y627 HydrophobicContact CB-CG 4.18Å; P625-Y627 HydrophobicContact CB-CE2 4.23Å; P625-Y627 HydrophobicContact CG-CE2 4.11Å; P625-Y627 VanDerWaalsContact O-CD2 3.23Å; P625-Y627 WeakPolarHBondContact O-CD2 3.09Å; P625-Y627 WeakPolarHBondContact O-CE2 3.05Å; Y627-K661 HydrophobicContact CD1-CB 4.29Å; Y627-K661 HydrophobicContact CD2-CB 3.81Å; Y627-K661 HydrophobicContact CD2-CD 4.04Å; Y627-K661 HydrophobicContact CD2-CG 4.5Å; Y627-K661 HydrophobicContact CE1-CD 4.46Å; Y627-K661 HydrophobicContact CE2-CB 4.24Å; Y627-K661 HydrophobicContact CE2-CD 3.59Å; Y627-K661 HydrophobicContact CG-CB 3.85Å; Y627-N665 PolarHBondContact N-ND2 3.07Å |
| 628 | F | 87.8 | Confident | 75.8 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.2 | -178.4 | -47.6 | -69.7 | 0 | 0 | 0 | 110.6 | L266 V608 V609 N611 T626 A672 S675 | L266-F628 HydrophobicContact CD1-CD2 4.49Å; V608-F628 CarbonylContact C-O 3.39Å; V608-F628 WeakPolarHBondContact CA-O 3.45Å; V609-F628 HydrophobicContact CG2-CB 4.37Å; V609-F628 PolarHBondContact N-O 2.69Å; V609-F628 PolarHBondContact O-N 3.13Å; V609-F628 VanDerWaalsContact O-O 3.12Å; N611-F628 HydrophobicContact CB-CE2 4.38Å; T626-F628 VanDerWaalsContact CB-CZ 3.44Å; T626-F628 WeakPolarHBondContact O-CE2 3.28Å; T626-F628 WeakPolarHBondContact OG1-CE2 3.45Å; T626-F628 WeakPolarHBondContact OG1-CZ 3.4Å; F628-A672 HydrophobicContact CB-CB 4.31Å; F628-A672 HydrophobicContact CD1-CB 3.63Å; F628-A672 HydrophobicContact CE1-CB 4.24Å; F628-A672 HydrophobicContact CG-CB 4.04Å; F628-S675 VanDerWaalsContact CE1-OG 3.3Å; F628-S675 WeakPolarHBondContact CE1-OG 3.46Å; F628-S675 WeakPolarHBondContact CE2-OG 3.39Å; F628-S675 WeakPolarHBondContact CZ-OG 3.49Å |
| 629 | A | 91.9 | Very high | 77.8 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L278 Y289 I606 V662 | L278-A629 HydrophobicContact CB-CB 3.91Å; L278-A629 HydrophobicContact CD2-CB 3.82Å; L278-A629 PolarHBondContact N-O 3.34Å; Y289-A629 HydrophobicContact CE2-CB 3.89Å; I606-A629 HydrophobicContact CG2-CB 3.97Å; A629-V662 HydrophobicContact CB-CG1 4.22Å |
| 630 | I | 91.9 | Very high | 79.9 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.7 | 171.3 | 66.3 | 176.6 | 0 | 0 | 0 | 110.2 | T275 Y277 H607 V609 G632 | T275-I630 HydrophobicContact CG2-CB 4.4Å; T275-I630 HydrophobicContact CG2-CD1 4.33Å; T275-I630 HydrophobicContact CG2-CG2 4.11Å; Y277-I630 HydrophobicContact CD1-CG2 3.45Å; Y277-I630 VanDerWaalsContact CD1-CG2 3.45Å; Y277-I630 HydrophobicContact CE1-CG2 3.64Å; Y277-I630 HydrophobicContact CG-CG2 4.12Å; H607-I630 HydrophobicContact CB-CG1 3.91Å; H607-I630 PolarHBondContact N-O 3.37Å; H607-I630 PolarHBondContact O-N 3.06Å; V609-I630 HydrophobicContact CG1-CD1 3.86Å; V609-I630 HydrophobicContact CG1-CG1 4.23Å; V609-I630 HydrophobicContact CG2-CD1 4.24Å; V609-I630 HydrophobicContact CG2-CG1 4.39Å; V609-I630 HydrophobicContact CG2-CG2 4.19Å; I630-G632 PolarHBondContact O-N 2.76Å |
| 631 | W | 92.8 | Very high | 82 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 25% | 0.254 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115.7 | 168 | -70.9 | 109.4 | 0 | 0 | 0 | 109.4 | K276 L278 R604 I606 | K276-W631 HydrophobicContact CB-CB 4.34Å; K276-W631 PolarHBondContact O-N 3.1Å; L278-W631 HydrophobicContact CD1-CH2 4.38Å; L278-W631 HydrophobicContact CD1-CZ2 3.47Å; L278-W631 VanDerWaalsContact CD1-CZ2 3.47Å; R604-W631 HydrophobicContact CB-CE3 4.49Å; R604-W631 HydrophobicContact CB-CZ3 3.9Å; I606-W631 HydrophobicContact CD1-CH2 4.21Å; I606-W631 HydrophobicContact CD1-CZ3 4.24Å; I606-W631 HydrophobicContact CG1-CE3 4.06Å; I606-W631 HydrophobicContact CG1-CH2 3.99Å; I606-W631 HydrophobicContact CG1-CZ3 3.56Å |
| 632 | G | 90.8 | Very high | 84 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 149.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I605 I630 | I605-G632 PolarHBondContact O-N 3.24Å; I630-G632 PolarHBondContact O-N 2.76Å |
| 633 | D | 91.4 | Very high | 85.3 | Confident | 85 Ų | 85 | 39.1 Ų | 39.1 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | trans | -90.9 | 132 | 168.4 | 167.9 | 27.2 | 0 | 0 | 0 | 110.2 | K635 A636 F637 | D633-K635 PolarHBondContact O-N 3.25Å; D633-K635 PolarHBondContact OD1-N 3.27Å; D633-A636 HydrophobicContact CB-CB 4.21Å; D633-A636 VanDerWaalsContact O-CB 3.3Å; D633-A636 WeakPolarHBondContact O-CB 3.34Å; D633-A636 PolarHBondContact O-N 3.41Å; D633-F637 WeakPolarHBondContact O-CD2 3.36Å; D633-F637 WeakPolarHBondContact O-CE2 3.32Å | ||
| 634 | N | 92.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -55.6 | -32.9 | 177.5 | -52.7 | 76.5 | 0 | 0 | 0 | 112.6 | M509 K513 P601 G603 I605 A636 | M509-N634 HydrophobicContact CE-CB 4.32Å; M509-N634 HydrophobicContact CG-CB 3.96Å; M509-N634 HydrophobicContact SD-CB 3.56Å; M509-N634 VanDerWaalsContact SD-CB 3.56Å; K513-N634 WeakPolarHBondContact CE-OD1 3.38Å; K513-N634 PolarHBondContact NZ-OD1 2.91Å; P601-N634 WeakPolarHBondContact CD-O 3.37Å; P601-N634 HydrophobicContact CG-CB 4.46Å; P601-N634 PolarHBondContact O-ND2 3.42Å; G603-N634 PolarHBondContact O-ND2 3.17Å; I605-N634 HydrophobicContact CD1-CB 4.25Å; N634-A636 VanDerWaalsContact C-N 3.3Å; N634-A636 PolarHBondContact O-N 3.01Å |
| 635 | K | 90.1 | Very high | 86.3 | Confident | 80 Ų | 80 | 30.8 Ų | 30.8 | 35% | 0.348 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -78.7 | -11.6 | 179.2 | -54.3 | -164.2 | -176.2 | -165.2 | 0 | 113.7 | E506 Y600 D633 F637 N638 | E506-K635 WeakPolarHBondContact OE1-CE 3.47Å; E506-K635 IonicContact OE1-NZ 3.43Å; E506-K635 PolarHBondContact OE1-NZ 2.93Å; E506-K635 WeakPolarHBondContact OE2-CE 3.49Å; E506-K635 IonicContact OE2-NZ 3.19Å; E506-K635 PolarHBondContact OE2-NZ 2.85Å; Y600-K635 HydrophobicContact CD1-CG 4.19Å; Y600-K635 HydrophobicContact CE1-CB 4.29Å; Y600-K635 HydrophobicContact CE1-CD 4.36Å; Y600-K635 HydrophobicContact CE1-CG 3.85Å; D633-K635 PolarHBondContact O-N 3.25Å; D633-K635 PolarHBondContact OD1-N 3.27Å; K635-F637 VanDerWaalsContact C-N 3.25Å; K635-F637 PolarHBondContact O-N 3.34Å; K635-N638 PolarHBondContact O-ND2 2.82Å |
| 636 | A | 87.6 | Confident | 86.7 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -81.6 | -0.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M269 D633 N634 | M269-A636 HydrophobicContact CE-CB 3.62Å; D633-A636 HydrophobicContact CB-CB 4.21Å; D633-A636 VanDerWaalsContact O-CB 3.3Å; D633-A636 WeakPolarHBondContact O-CB 3.34Å; D633-A636 PolarHBondContact O-N 3.41Å; N634-A636 VanDerWaalsContact C-N 3.3Å; N634-A636 PolarHBondContact O-N 3.01Å |
| 637 | F | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -96.3 | 4.8 | 179 | -63.7 | -88.4 | 0 | 0 | 0 | 114 | V520 P527 R528 P601 I605 H607 D633 K635 E639 | V520-F637 HydrophobicContact CB-CE1 4.18Å; V520-F637 HydrophobicContact CB-CZ 4.35Å; V520-F637 HydrophobicContact CG1-CE1 3.8Å; V520-F637 HydrophobicContact CG1-CZ 4.44Å; V520-F637 HydrophobicContact CG2-CE1 4.13Å; V520-F637 HydrophobicContact CG2-CZ 4.22Å; P527-F637 HydrophobicContact CB-CD1 4.11Å; P527-F637 VanDerWaalsContact O-CB 3.27Å; P527-F637 WeakPolarHBondContact O-CB 3.43Å; R528-F637 WeakPolarHBondContact CA-O 3.38Å; R528-F637 HydrophobicContact CG-CB 4.31Å; R528-F637 HydrophobicContact CG-CD1 4.07Å; P601-F637 HydrophobicContact CG-CB 4.45Å; P601-F637 HydrophobicContact CG-CD2 4.17Å; P601-F637 HydrophobicContact CG-CG 4.49Å; I605-F637 HydrophobicContact CD1-CD2 3.96Å; I605-F637 HydrophobicContact CD1-CE2 3.57Å; I605-F637 HydrophobicContact CD1-CZ 4.42Å; I605-F637 HydrophobicContact CG2-CE2 4.11Å; I605-F637 HydrophobicContact CG2-CZ 4.05Å; H607-F637 AromaticContact CE1-CE1 3.98Å; H607-F637 AromaticContact ND1-CZ 3.73Å; D633-F637 WeakPolarHBondContact O-CD2 3.36Å; D633-F637 WeakPolarHBondContact O-CE2 3.32Å; K635-F637 VanDerWaalsContact C-N 3.25Å; K635-F637 PolarHBondContact O-N 3.34Å; F637-E639 PolarHBondContact O-N 2.64Å; F637-E639 VanDerWaalsContact O-N 3.1Å |
| 638 | N | 84.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 32 Ų | 32 | 39% | 0.39 | 17% | 0.173 | S | C | . | . | trans | -67.7 | -5.1 | -176.8 | -72.4 | -11.6 | 0 | 0 | 0 | 116.4 | Q533 K635 | Q533-N638 PolarHBondContact NE2-OD1 3.2Å; K635-N638 PolarHBondContact O-ND2 2.82Å | ||
| 639 | E | 85.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 32.2 Ų | 32.2 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -118.1 | 129.8 | 173.1 | -176.2 | 166.2 | -132.3 | 0 | 0 | 111.1 | R528 Q540 F637 I641 | R528-E639 WeakPolarHBondContact CD-O 3.44Å; R528-E639 PolarHBondContact NH1-O 2.96Å; R528-E639 VanDerWaalsContact NH1-O 3.17Å; Q540-E639 PolarHBondContact NE2-OE1 3.25Å; F637-E639 PolarHBondContact O-N 2.64Å; F637-E639 VanDerWaalsContact O-N 3.1Å; E639-I641 PolarHBondContact O-N 2.73Å |
| 640 | V | 87.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | trans | -71.7 | 114.7 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | Q247 L525 R528 Q533 F537 I642 | Q247-V640 PolarHBondContact NE2-O 3.17Å; L525-V640 HydrophobicContact CD1-CG1 3.7Å; R528-V640 WeakPolarHBondContact O-CG2 3.08Å; Q533-V640 HydrophobicContact CB-CG2 4.42Å; F537-V640 HydrophobicContact CB-CB 4.43Å; F537-V640 HydrophobicContact CB-CG2 4.15Å; F537-V640 HydrophobicContact CD2-CG1 4.39Å; V640-I642 HydrophobicContact CG1-CD1 3.89Å | ||
| 641 | I | 87.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | trans | -95.8 | 114.4 | -176.7 | -65.1 | -177 | 0 | 0 | 0 | 110.1 | K523 E639 S643 | K523-I641 HydrophobicContact CB-CG2 4.2Å; K523-I641 HydrophobicContact CD-CG2 3.96Å; K523-I641 HydrophobicContact CG-CG2 3.91Å; E639-I641 PolarHBondContact O-N 2.73Å; I641-S643 PolarHBondContact O-N 2.81Å | ||
| 642 | I | 85.8 | Confident | 85.8 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | trans | -80.2 | 120.2 | -175.7 | -47.9 | -53.4 | 0 | 0 | 0 | 111.2 | L240 L243 R244 Q247 F537 V640 | L240-I642 HydrophobicContact CB-CG2 4.33Å; L240-I642 HydrophobicContact CD2-CD1 3.74Å; L240-I642 HydrophobicContact CD2-CG1 4.25Å; L240-I642 HydrophobicContact CD2-CG2 3.97Å; L243-I642 HydrophobicContact CB-CG1 4.44Å; L243-I642 HydrophobicContact CD2-CD1 4.41Å; L243-I642 HydrophobicContact CD2-CG1 3.99Å; L243-I642 HydrophobicContact CG-CG1 4.09Å; R244-I642 HydrophobicContact CB-CB 4.03Å; R244-I642 HydrophobicContact CB-CG2 3.94Å; Q247-I642 VanDerWaalsContact OE1-N 3.14Å; F537-I642 HydrophobicContact CD2-CD1 4.24Å; F537-I642 HydrophobicContact CE2-CD1 3.83Å; V640-I642 HydrophobicContact CG1-CD1 3.89Å | ||
| 643 | S | 82.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -153.2 | 140.3 | 179.7 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | K523 I641 A645 M646 | K523-S643 VanDerWaalsContact CD-CB 3.5Å; K523-S643 WeakPolarHBondContact CD-OG 3.48Å; I641-S643 PolarHBondContact O-N 2.81Å; S643-A645 PolarHBondContact O-N 3.22Å; S643-M646 VanDerWaalsContact O-CB 3.27Å; S643-M646 WeakPolarHBondContact O-CB 3.46Å; S643-M646 WeakPolarHBondContact O-CG 3.5Å; S643-M646 PolarHBondContact O-N 2.82Å | ||
| 644 | P | 72.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 32 Ų | 32 | 14% | 0.143 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -55.1 | -40.7 | 176.7 | -25.3 | 34.3 | 0 | 0 | 0 | 112 | R244 M646 | R244-P644 VanDerWaalsContact CZ-CD 3.45Å; P644-M646 VanDerWaalsContact C-N 3.26Å; P644-M646 PolarHBondContact O-N 2.85Å |
| 645 | A | 75.3 | Confident | 85.8 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -75 | -0.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S643 L647 H648 E649 | S643-A645 PolarHBondContact O-N 3.22Å; A645-L647 PolarHBondContact O-N 2.88Å; A645-L647 VanDerWaalsContact O-N 3.14Å; A645-H648 PolarHBondContact O-N 3.43Å; A645-E649 HydrophobicContact CB-CG 4.07Å; A645-E649 WeakPolarHBondContact CB-OE1 3.48Å; A645-E649 VanDerWaalsContact O-CB 3.26Å; A645-E649 WeakPolarHBondContact O-CB 3.39Å; A645-E649 VanDerWaalsContact O-CG 3.26Å; A645-E649 WeakPolarHBondContact O-CG 3.47Å; A645-E649 PolarHBondContact O-N 2.83Å |
| 646 | M | 82.3 | Confident | 86 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.9 | -173.6 | 73.5 | -166 | -174 | 0 | 0 | 114.3 | K523 L525 S643 P644 F921 | K523-M646 WeakPolarHBondContact O-CB 3.27Å; L525-M646 HydrophobicContact CB-CB 4.35Å; L525-M646 HydrophobicContact CB-CG 4.22Å; L525-M646 HydrophobicContact CD1-CE 4.33Å; L525-M646 HydrophobicContact CD1-SD 4.14Å; L525-M646 HydrophobicContact CD2-CE 4.22Å; L525-M646 PolarHBondContact N-O 3.18Å; L525-M646 VanDerWaalsContact N-O 3.13Å; S643-M646 VanDerWaalsContact O-CB 3.27Å; S643-M646 WeakPolarHBondContact O-CB 3.46Å; S643-M646 WeakPolarHBondContact O-CG 3.5Å; S643-M646 PolarHBondContact O-N 2.82Å; P644-M646 VanDerWaalsContact C-N 3.26Å; P644-M646 PolarHBondContact O-N 2.85Å; M646-F921 HydrophobicContact CE-CD1 3.58Å; M646-F921 HydrophobicContact CE-CE1 3.86Å; M646-F921 HydrophobicContact CE-CG 4.3Å |
| 647 | L | 79.9 | Confident | 86.2 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 19% | 0.194 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -39.7 | 174.8 | -71.2 | 162.9 | 0 | 0 | 0 | 111.6 | L525 A645 E649 H650 I917 F921 | L525-L647 HydrophobicContact CD2-CD2 3.65Å; L525-L647 HydrophobicContact CD2-CG 4.26Å; A645-L647 PolarHBondContact O-N 2.88Å; A645-L647 VanDerWaalsContact O-N 3.14Å; L647-E649 VanDerWaalsContact C-N 3.34Å; L647-E649 PolarHBondContact O-N 3.1Å; L647-H650 VanDerWaalsContact O-CB 3.31Å; L647-H650 WeakPolarHBondContact O-CB 3.4Å; L647-H650 PolarHBondContact O-N 3.31Å; L647-H650 VanDerWaalsContact O-N 3.11Å; L647-I917 HydrophobicContact CD1-CG2 3.9Å; L647-I917 HydrophobicContact CD2-CG2 4.42Å; L647-F921 HydrophobicContact CD1-CB 3.83Å; L647-F921 HydrophobicContact CD1-CD1 4.45Å; L647-F921 HydrophobicContact CD1-CD2 3.39Å; L647-F921 HydrophobicContact CD1-CE2 4.03Å; L647-F921 HydrophobicContact CD1-CG 3.65Å |
| 648 | H | 81.5 | Confident | 86.4 | Confident | 78 Ų | 78 | 30.8 Ų | 30.8 | 36% | 0.361 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -62.3 | -40.7 | 174.7 | -177.9 | -91.5 | 0 | 0 | 0 | 112.1 | A645 H650 L651 Y653 V654 | A645-H648 PolarHBondContact O-N 3.43Å; H648-H650 PolarHBondContact O-N 2.9Å; H648-L651 WeakPolarHBondContact O-CB 3.44Å; H648-L651 PolarHBondContact O-N 2.86Å; H648-Y653 PolarHBondContact NE2-OH 3.24Å; H648-V654 VanDerWaalsContact CE1-CG2 3.44Å; H648-V654 WeakPolarHBondContact CE1-CG2 3.43Å; H648-V654 WeakPolarHBondContact O-CB 3.38Å; H648-V654 WeakPolarHBondContact O-CG2 3.27Å |
| 649 | E | 86.6 | Confident | 86.9 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 7% | 0.065 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -66.7 | -14.1 | 175.7 | -70.5 | 169.3 | -162.3 | 0 | 0 | 113.3 | L521 G522 K523 H610 A645 L647 | L521-E649 HydrophobicContact CD2-CB 4.11Å; L521-E649 HydrophobicContact CD2-CG 4.32Å; L521-E649 WeakPolarHBondContact CD2-O 3.23Å; L521-E649 HydrophobicContact CG-CB 4.35Å; G522-E649 WeakPolarHBondContact CA-OE2 3.48Å; K523-E649 PolarHBondContact N-OE2 3.32Å; H610-E649 IonicContact CE1-OE1 2.73Å; H610-E649 PolarHBondContact CE1-OE1 3.21Å; H610-E649 VanDerWaalsContact CE1-OE1 3.31Å; H610-E649 IonicContact CE1-OE2 3.42Å; H610-E649 IonicContact NE2-OE1 3.54Å; A645-E649 HydrophobicContact CB-CG 4.07Å; A645-E649 WeakPolarHBondContact CB-OE1 3.48Å; A645-E649 VanDerWaalsContact O-CB 3.26Å; A645-E649 WeakPolarHBondContact O-CB 3.39Å; A645-E649 VanDerWaalsContact O-CG 3.26Å; A645-E649 WeakPolarHBondContact O-CG 3.47Å; A645-E649 PolarHBondContact O-N 2.83Å; L647-E649 VanDerWaalsContact C-N 3.34Å; L647-E649 PolarHBondContact O-N 3.1Å |
| 650 | H | 90.7 | Very high | 87.3 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -84.8 | -12.5 | 171 | -170.8 | 62 | 0 | 0 | 0 | 113.5 | H471 S472 D524 V526 L647 H648 | H471-H650 AromaticContact CE1-CE1 3.83Å; H471-H650 AromaticContact CE1-NE2 3.72Å; H471-H650 PolarHBondContact CE1-O 3.08Å; H471-H650 PolarHBondContact NE2-O 3.25Å; S472-H650 WeakPolarHBondContact CB-NE2 3.37Å; S472-H650 PolarHBondContact OG-CE1 3.48Å; S472-H650 PolarHBondContact OG-NE2 2.67Å; D524-H650 VanDerWaalsContact CG-ND1 3.27Å; D524-H650 WeakPolarHBondContact OD1-CB 3.48Å; D524-H650 IonicContact OD1-CG 2.72Å; D524-H650 IonicContact OD1-ND1 3.19Å; D524-H650 PolarHBondContact OD1-ND1 3.31Å; D524-H650 IonicContact OD2-CE1 3.89Å; D524-H650 IonicContact OD2-CG 2.72Å; D524-H650 IonicContact OD2-ND1 2.62Å; D524-H650 PolarHBondContact OD2-ND1 2.88Å; V526-H650 VanDerWaalsContact CB-CE1 3.46Å; V526-H650 WeakPolarHBondContact CB-CE1 3.49Å; L647-H650 VanDerWaalsContact O-CB 3.31Å; L647-H650 WeakPolarHBondContact O-CB 3.4Å; L647-H650 PolarHBondContact O-N 3.31Å; L647-H650 VanDerWaalsContact O-N 3.11Å; H648-H650 PolarHBondContact O-N 2.9Å |
| 651 | L | 86.5 | Confident | 87.5 | Confident | 63 Ų | 63 | 29.5 Ų | 29.5 | 33% | 0.33 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -71.9 | 132.7 | -176.2 | -62.4 | 171.5 | 0 | 0 | 0 | 110.1 | H648 Y653 V654 V655 | H648-L651 WeakPolarHBondContact O-CB 3.44Å; H648-L651 PolarHBondContact O-N 2.86Å; L651-Y653 HydrophobicContact CB-CD1 3.87Å; L651-Y653 HydrophobicContact CB-CE1 3.58Å; L651-Y653 HydrophobicContact CD1-CE1 3.72Å; L651-Y653 HydrophobicContact CG-CE1 4.22Å; L651-Y653 PolarHBondContact O-N 3.3Å; L651-Y653 VanDerWaalsContact O-N 3.09Å; L651-V654 HydrophobicContact CB-CB 4.44Å; L651-V654 HydrophobicContact CB-CG2 3.91Å; L651-V654 WeakPolarHBondContact O-CA 3.33Å; L651-V654 WeakPolarHBondContact O-CB 3.37Å; L651-V654 PolarHBondContact O-N 2.83Å; L651-V655 PolarHBondContact O-N 2.88Å |
| 652 | P | 90.9 | Very high | 87.7 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -24.8 | -167.9 | 23 | -33.8 | 0 | 0 | 0 | 113.6 | M296 L300 Y303 M307 M656 | M296-P652 HydrophobicContact CE-CB 3.7Å; M296-P652 WeakPolarHBondContact CE-O 3.15Å; L300-P652 HydrophobicContact CD1-CB 4.03Å; L300-P652 HydrophobicContact CD1-CG 4.17Å; Y303-P652 HydrophobicContact CD2-CG 4.24Å; Y303-P652 HydrophobicContact CE2-CB 4.22Å; Y303-P652 HydrophobicContact CE2-CG 3.8Å; M307-P652 HydrophobicContact CE-CG 4.06Å; M307-P652 HydrophobicContact SD-CG 4.47Å; P652-M656 PolarHBondContact O-N 3.49Å; P652-M656 VanDerWaalsContact O-N 3.16Å |
| 653 | Y | 88.6 | Confident | 87.9 | Confident | 74 Ų | 74 | 29.8 Ų | 29.8 | 29% | 0.29 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.2 | -32.4 | 172.1 | 73.6 | -88.2 | 0 | 0 | 0 | 112.6 | M307 H648 L651 M656 E657 | M307-Y653 HydrophobicContact CE-CD1 3.97Å; H648-Y653 PolarHBondContact NE2-OH 3.24Å; L651-Y653 HydrophobicContact CB-CD1 3.87Å; L651-Y653 HydrophobicContact CB-CE1 3.58Å; L651-Y653 HydrophobicContact CD1-CE1 3.72Å; L651-Y653 HydrophobicContact CG-CE1 4.22Å; L651-Y653 PolarHBondContact O-N 3.3Å; L651-Y653 VanDerWaalsContact O-N 3.09Å; Y653-M656 PolarHBondContact O-N 2.87Å; Y653-E657 WeakPolarHBondContact O-CB 3.25Å; Y653-E657 PolarHBondContact O-N 3.31Å |
| 654 | V | 91.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.7 | -37.1 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | L521 H648 L651 M656 E657 G658 | L521-V654 HydrophobicContact CD2-CG1 3.84Å; L521-V654 WeakPolarHBondContact CD2-O 3.31Å; H648-V654 VanDerWaalsContact CE1-CG2 3.44Å; H648-V654 WeakPolarHBondContact CE1-CG2 3.43Å; H648-V654 WeakPolarHBondContact O-CB 3.38Å; H648-V654 WeakPolarHBondContact O-CG2 3.27Å; L651-V654 HydrophobicContact CB-CB 4.44Å; L651-V654 HydrophobicContact CB-CG2 3.91Å; L651-V654 WeakPolarHBondContact O-CA 3.33Å; L651-V654 WeakPolarHBondContact O-CB 3.37Å; L651-V654 PolarHBondContact O-N 2.83Å; V654-M656 VanDerWaalsContact C-N 3.34Å; V654-E657 PolarHBondContact O-N 3.47Å; V654-G658 PolarHBondContact O-N 3.32Å |
| 655 | V | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 169.1 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | M296 Y497 V519 L521 L651 G658 L659 | M296-V655 HydrophobicContact CE-CB 3.99Å; M296-V655 HydrophobicContact CE-CG1 4Å; M296-V655 HydrophobicContact SD-CG1 4.46Å; Y497-V655 HydrophobicContact CD1-CG1 4.48Å; V519-V655 HydrophobicContact CG1-CG1 4.46Å; L521-V655 HydrophobicContact CB-CG2 4.32Å; L651-V655 PolarHBondContact O-N 2.88Å; V655-G658 PolarHBondContact O-N 2.79Å; V655-L659 WeakPolarHBondContact O-CG 3.4Å; V655-L659 PolarHBondContact O-N 3.31Å; V655-L659 VanDerWaalsContact O-N 3.07Å |
| 656 | M | 93.7 | Very high | 89.3 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.059 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.7 | 175.9 | 59.1 | 90.2 | 0 | 0 | 112.7 | M296 L297 P652 Y653 V654 G658 L659 N660 | M296-M656 HydrophobicContact CB-CE 3.61Å; M296-M656 HydrophobicContact CB-SD 4.38Å; M296-M656 HydrophobicContact CG-CB 4.15Å; M296-M656 HydrophobicContact CG-CE 3.71Å; M296-M656 HydrophobicContact CG-SD 4.28Å; L297-M656 HydrophobicContact CB-CE 4.42Å; L297-M656 HydrophobicContact CD2-CE 3.49Å; L297-M656 VanDerWaalsContact CD2-CE 3.49Å; L297-M656 HydrophobicContact CG-CE 3.62Å; P652-M656 PolarHBondContact O-N 3.49Å; P652-M656 VanDerWaalsContact O-N 3.16Å; Y653-M656 PolarHBondContact O-N 2.87Å; V654-M656 VanDerWaalsContact C-N 3.34Å; M656-G658 PolarHBondContact O-N 2.84Å; M656-L659 PolarHBondContact O-N 3.22Å; M656-N660 PolarHBondContact O-N 2.94Å; M656-N660 PolarHBondContact O-ND2 2.91Å; M656-N660 PolarHBondContact SD-ND2 2.95Å; M656-N660 VanDerWaalsContact SD-ND2 3.35Å |
| 657 | E | 92.3 | Very high | 89.4 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.4 | -166.7 | -170.4 | 136.3 | 0 | 0 | 111.7 | Y653 V654 L659 N660 K661 | Y653-E657 WeakPolarHBondContact O-CB 3.25Å; Y653-E657 PolarHBondContact O-N 3.31Å; V654-E657 PolarHBondContact O-N 3.47Å; E657-L659 PolarHBondContact O-N 2.74Å; E657-N660 PolarHBondContact O-N 3.08Å; E657-K661 HydrophobicContact CG-CD 4.27Å; E657-K661 WeakPolarHBondContact O-CB 3.36Å; E657-K661 WeakPolarHBondContact O-CG 3.32Å; E657-K661 PolarHBondContact O-N 3.11Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.4Å; E657-K661 IonicContact OE1-NZ 3.36Å; E657-K661 PolarHBondContact OE1-NZ 2.8Å |
| 658 | G | 93.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V654 V655 M656 K661 V662 | V654-G658 PolarHBondContact O-N 3.32Å; V655-G658 PolarHBondContact O-N 2.79Å; M656-G658 PolarHBondContact O-N 2.84Å; G658-K661 PolarHBondContact O-N 2.9Å; G658-V662 PolarHBondContact O-N 2.74Å |
| 659 | L | 95.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -47 | 173.4 | -74 | 170.1 | 0 | 0 | 0 | 111.7 | Y289 V292 M296 Y497 V519 V608 V655 M656 E657 K661 V662 L663 | Y289-L659 HydrophobicContact CE2-CD2 4.07Å; Y289-L659 WeakPolarHBondContact OH-CD2 3.27Å; V292-L659 HydrophobicContact CG1-CD1 4.43Å; V292-L659 HydrophobicContact CG1-CD2 4.05Å; M296-L659 HydrophobicContact CB-CD1 4.13Å; M296-L659 HydrophobicContact CG-CD1 4.17Å; Y497-L659 HydrophobicContact CD1-CD1 4.45Å; Y497-L659 HydrophobicContact CE1-CD1 4.18Å; V519-L659 HydrophobicContact CG1-CD2 4.06Å; V608-L659 HydrophobicContact CG2-CD2 4.01Å; V655-L659 WeakPolarHBondContact O-CG 3.4Å; V655-L659 PolarHBondContact O-N 3.31Å; V655-L659 VanDerWaalsContact O-N 3.07Å; M656-L659 PolarHBondContact O-N 3.22Å; E657-L659 PolarHBondContact O-N 2.74Å; L659-K661 PolarHBondContact O-N 3.13Å; L659-V662 PolarHBondContact O-N 3.24Å; L659-L663 PolarHBondContact O-N 3.18Å |
| 660 | N | 94 | Very high | 88.1 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.5 | -71.6 | -48 | 0 | 0 | 0 | 112.3 | M656 E657 V662 L663 E664 | M656-N660 PolarHBondContact O-N 2.94Å; M656-N660 PolarHBondContact O-ND2 2.91Å; M656-N660 PolarHBondContact SD-ND2 2.95Å; M656-N660 VanDerWaalsContact SD-ND2 3.35Å; E657-N660 PolarHBondContact O-N 3.08Å; N660-V662 VanDerWaalsContact C-N 3.25Å; N660-V662 PolarHBondContact O-N 3.21Å; N660-L663 WeakPolarHBondContact O-CB 3.48Å; N660-L663 PolarHBondContact O-N 2.92Å; N660-E664 PolarHBondContact O-N 3.41Å |
| 661 | K | 92.3 | Very high | 86.7 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 22% | 0.222 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -25.9 | 175.9 | -78.9 | 177.7 | 169.8 | 174.1 | 0 | 113.6 | Y627 E657 G658 L659 N665 | Y627-K661 HydrophobicContact CD1-CB 4.29Å; Y627-K661 HydrophobicContact CD2-CB 3.81Å; Y627-K661 HydrophobicContact CD2-CD 4.04Å; Y627-K661 HydrophobicContact CD2-CG 4.5Å; Y627-K661 HydrophobicContact CE1-CD 4.46Å; Y627-K661 HydrophobicContact CE2-CB 4.24Å; Y627-K661 HydrophobicContact CE2-CD 3.59Å; Y627-K661 HydrophobicContact CG-CB 3.85Å; E657-K661 HydrophobicContact CG-CD 4.27Å; E657-K661 WeakPolarHBondContact O-CB 3.36Å; E657-K661 WeakPolarHBondContact O-CG 3.32Å; E657-K661 PolarHBondContact O-N 3.11Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.4Å; E657-K661 IonicContact OE1-NZ 3.36Å; E657-K661 PolarHBondContact OE1-NZ 2.8Å; G658-K661 PolarHBondContact O-N 2.9Å; L659-K661 PolarHBondContact O-N 3.13Å; K661-N665 WeakPolarHBondContact O-CB 3.21Å; K661-N665 PolarHBondContact O-N 3.11Å; K661-N665 PolarHBondContact O-ND2 2.93Å |
| 662 | V | 91.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69 | -44.5 | 170 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L280 Y289 V608 A629 G658 L659 N660 N665 Y666 | L280-V662 HydrophobicContact CD1-CG1 3.75Å; Y289-V662 HydrophobicContact CE1-CB 4.04Å; Y289-V662 HydrophobicContact CE1-CG1 3.92Å; Y289-V662 VanDerWaalsContact OH-CB 3.28Å; Y289-V662 WeakPolarHBondContact OH-CB 3.43Å; Y289-V662 WeakPolarHBondContact OH-CG2 3.06Å; V608-V662 HydrophobicContact CG1-CG2 3.72Å; V608-V662 HydrophobicContact CG2-CG2 4.47Å; A629-V662 HydrophobicContact CB-CG1 4.22Å; G658-V662 PolarHBondContact O-N 2.74Å; L659-V662 PolarHBondContact O-N 3.24Å; N660-V662 VanDerWaalsContact C-N 3.25Å; N660-V662 PolarHBondContact O-N 3.21Å; V662-N665 PolarHBondContact O-N 2.88Å; V662-Y666 PolarHBondContact O-N 3.38Å |
| 663 | L | 91.1 | Very high | 83.7 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.5 | -71.6 | 176.5 | 0 | 0 | 0 | 111.8 | M286 Y289 L659 N660 Y666 N667 | M286-L663 HydrophobicContact CE-CD2 4.29Å; M286-L663 HydrophobicContact SD-CD2 4.06Å; Y289-L663 HydrophobicContact CD1-CD2 3.85Å; Y289-L663 HydrophobicContact CD1-CG 4.11Å; Y289-L663 HydrophobicContact CE1-CD2 4.23Å; Y289-L663 HydrophobicContact CE1-CG 4.04Å; L659-L663 PolarHBondContact O-N 3.18Å; N660-L663 WeakPolarHBondContact O-CB 3.48Å; N660-L663 PolarHBondContact O-N 2.92Å; L663-Y666 PolarHBondContact O-N 3.09Å; L663-N667 WeakPolarHBondContact O-CB 3.29Å; L663-N667 PolarHBondContact O-N 3.22Å; L663-N667 PolarHBondContact O-ND2 3.37Å |
| 664 | E | 89.4 | Confident | 82.2 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.5 | -76.8 | -174.2 | -138.5 | 0 | 0 | 112.6 | N660 Y666 N667 K668 | N660-E664 PolarHBondContact O-N 3.41Å; E664-Y666 VanDerWaalsContact C-N 3.28Å; E664-Y666 PolarHBondContact O-N 2.99Å; E664-N667 PolarHBondContact O-N 3.03Å; E664-N667 VanDerWaalsContact O-N 3.17Å; E664-K668 HydrophobicContact CB-CD 4.41Å; E664-K668 VanDerWaalsContact O-CB 3.27Å; E664-K668 WeakPolarHBondContact O-CB 3.25Å; E664-K668 WeakPolarHBondContact O-CG 3.36Å; E664-K668 PolarHBondContact O-N 2.8Å; E664-K668 IonicContact OE2-NZ 3.01Å; E664-K668 PolarHBondContact OE2-NZ 2.84Å |
| 665 | N | 85.1 | Confident | 80.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.8 | -81 | -62.5 | 0 | 0 | 0 | 111.5 | Y627 K661 V662 K668 G669 K670 | Y627-N665 PolarHBondContact N-ND2 3.07Å; K661-N665 WeakPolarHBondContact O-CB 3.21Å; K661-N665 PolarHBondContact O-N 3.11Å; K661-N665 PolarHBondContact O-ND2 2.93Å; V662-N665 PolarHBondContact O-N 2.88Å; N665-K668 PolarHBondContact O-N 3.4Å; N665-G669 PolarHBondContact O-N 2.92Å; N665-K670 HydrophobicContact CB-CB 4.28Å; N665-K670 WeakPolarHBondContact O-CA 3.44Å; N665-K670 WeakPolarHBondContact O-CB 3.38Å; N665-K670 PolarHBondContact O-N 3.05Å; N665-K670 WeakPolarHBondContact OD1-CD 3.37Å |
| 666 | Y | 84.3 | Confident | 78.4 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 170.5 | -179.6 | -96.2 | 0 | 0 | 0 | 112.1 | L280 K281 M286 V662 L663 E664 K668 G669 | L280-Y666 HydrophobicContact CB-CD2 3.48Å; L280-Y666 VanDerWaalsContact CB-CD2 3.48Å; L280-Y666 HydrophobicContact CB-CE2 3.58Å; L280-Y666 HydrophobicContact CB-CG 4.08Å; L280-Y666 HydrophobicContact CD1-CD2 4.18Å; L280-Y666 HydrophobicContact CD1-CG 4.23Å; L280-Y666 HydrophobicContact CG-CD2 4.49Å; L280-Y666 PolarHBondContact O-OH 3.32Å; K281-Y666 HydrophobicContact CG-CE2 4.19Å; M286-Y666 HydrophobicContact CE-CD1 3.82Å; M286-Y666 HydrophobicContact CE-CE1 3.72Å; M286-Y666 HydrophobicContact CE-CG 4.39Å; V662-Y666 PolarHBondContact O-N 3.38Å; L663-Y666 PolarHBondContact O-N 3.09Å; E664-Y666 VanDerWaalsContact C-N 3.28Å; E664-Y666 PolarHBondContact O-N 2.99Å; Y666-K668 VanDerWaalsContact C-N 3.33Å; Y666-K668 PolarHBondContact O-N 3.27Å; Y666-G669 PolarHBondContact O-N 2.88Å |
| 667 | N | 83.9 | Confident | 76.5 | Confident | 128 Ų | 128 | 54.4 Ų | 54.4 | 68% | 0.684 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | 178.7 | -66.5 | -21 | 0 | 0 | 0 | 112.7 | L663 E664 G669 | L663-N667 WeakPolarHBondContact O-CB 3.29Å; L663-N667 PolarHBondContact O-N 3.22Å; L663-N667 PolarHBondContact O-ND2 3.37Å; E664-N667 PolarHBondContact O-N 3.03Å; E664-N667 VanDerWaalsContact O-N 3.17Å; N667-G669 PolarHBondContact O-N 3.21Å |
| 668 | K | 81.1 | Confident | 74.6 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 3.4 | 173.3 | -69.4 | 165.7 | 173.6 | 169.9 | 0 | 112.5 | E624 E664 N665 Y666 K670 | E624-K668 IonicContact OE2-NZ 2.64Å; E624-K668 PolarHBondContact OE2-NZ 3.06Å; E664-K668 HydrophobicContact CB-CD 4.41Å; E664-K668 VanDerWaalsContact O-CB 3.27Å; E664-K668 WeakPolarHBondContact O-CB 3.25Å; E664-K668 WeakPolarHBondContact O-CG 3.36Å; E664-K668 PolarHBondContact O-N 2.8Å; E664-K668 IonicContact OE2-NZ 3.01Å; E664-K668 PolarHBondContact OE2-NZ 2.84Å; N665-K668 PolarHBondContact O-N 3.4Å; Y666-K668 VanDerWaalsContact C-N 3.33Å; Y666-K668 PolarHBondContact O-N 3.27Å; K668-K670 HydrophobicContact CB-CG 4.41Å; K668-K670 PolarHBondContact O-N 3.09Å |
| 669 | G | 71.5 | Confident | 72.5 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 1.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | N665 Y666 N667 T671 | N665-G669 PolarHBondContact O-N 2.92Å; Y666-G669 PolarHBondContact O-N 2.88Å; N667-G669 PolarHBondContact O-N 3.21Å; G669-T671 PolarHBondContact O-N 3.08Å |
| 670 | K | 68 | Low | 70.1 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | trans | -75.4 | 65.4 | -180 | -66 | -178.6 | 174.9 | -177.4 | 0 | 110.6 | T626 N665 K668 | T626-K670 HydrophobicContact CG2-CD 4.09Å; N665-K670 HydrophobicContact CB-CB 4.28Å; N665-K670 WeakPolarHBondContact O-CA 3.44Å; N665-K670 WeakPolarHBondContact O-CB 3.38Å; N665-K670 PolarHBondContact O-N 3.05Å; N665-K670 WeakPolarHBondContact OD1-CD 3.37Å; K668-K670 HydrophobicContact CB-CG 4.41Å; K668-K670 PolarHBondContact O-N 3.09Å | ||
| 671 | T | 63.1 | Low | 67.5 | Low | 37 Ų | 37 | 66.6 Ų | 66.6 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | trans | -66.5 | 149.1 | 179.9 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | G669 L673 L674 S675 | G669-T671 PolarHBondContact O-N 3.08Å; T671-L673 PolarHBondContact O-N 3.14Å; T671-L673 VanDerWaalsContact O-N 3.12Å; T671-L674 PolarHBondContact O-N 2.7Å; T671-S675 PolarHBondContact O-N 3Å | ||
| 672 | A | 57.7 | Low | 64.8 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.8 | -25.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y277 F628 S675 A676 | Y277-A672 HydrophobicContact CD1-CB 3.4Å; Y277-A672 HydrophobicContact CE1-CB 3.64Å; Y277-A672 HydrophobicContact CG-CB 4.02Å; F628-A672 HydrophobicContact CB-CB 4.31Å; F628-A672 HydrophobicContact CD1-CB 3.63Å; F628-A672 HydrophobicContact CE1-CB 4.24Å; F628-A672 HydrophobicContact CG-CB 4.04Å; A672-S675 WeakPolarHBondContact CA-OG 3.25Å; A672-S675 PolarHBondContact O-OG 3.33Å; A672-S675 VanDerWaalsContact O-OG 3.06Å; A672-A676 WeakPolarHBondContact O-CB 3.15Å; A672-A676 PolarHBondContact O-N 2.96Å |
| 673 | L | 56.1 | Low | 62.2 | Low | 130 Ų | 130 | 74.1 Ų | 74.1 | 68% | 0.681 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.4 | -35.7 | 174.3 | -78 | 165.5 | 0 | 0 | 0 | 112.6 | T671 A677 | T671-L673 PolarHBondContact O-N 3.14Å; T671-L673 VanDerWaalsContact O-N 3.12Å; L673-A677 VanDerWaalsContact O-CB 3.27Å; L673-A677 WeakPolarHBondContact O-CB 3.31Å; L673-A677 PolarHBondContact O-N 3.24Å |
| 674 | L | 56.1 | Low | 59.2 | Low | 113 Ų | 113 | 79.1 Ų | 79.1 | 59% | 0.592 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.2 | -35.9 | 177.4 | -69.6 | 171.4 | 0 | 0 | 0 | 111.7 | T671 A677 K678 | T671-L674 PolarHBondContact O-N 2.7Å; L674-A677 PolarHBondContact O-N 2.87Å; L674-K678 PolarHBondContact O-N 3.11Å |
| 675 | S | 55.8 | Low | 56.6 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 15% | 0.147 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.9 | -39 | 173 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | F628 T671 A672 A677 K678 V679 | F628-S675 VanDerWaalsContact CE1-OG 3.3Å; F628-S675 WeakPolarHBondContact CE1-OG 3.46Å; F628-S675 WeakPolarHBondContact CE2-OG 3.39Å; F628-S675 WeakPolarHBondContact CZ-OG 3.49Å; T671-S675 PolarHBondContact O-N 3Å; A672-S675 WeakPolarHBondContact CA-OG 3.25Å; A672-S675 PolarHBondContact O-OG 3.33Å; A672-S675 VanDerWaalsContact O-OG 3.06Å; S675-A677 VanDerWaalsContact C-N 3.32Å; S675-A677 PolarHBondContact O-N 3.04Å; S675-K678 PolarHBondContact O-N 3.19Å; S675-V679 WeakPolarHBondContact O-CG2 3.45Å; S675-V679 PolarHBondContact O-N 3.21Å |
| 676 | A | 51.7 | Low | 54 | Low | 23 Ų | 23 | 89.9 Ų | 89.9 | 19% | 0.19 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A672 V679 M680 | A672-A676 WeakPolarHBondContact O-CB 3.15Å; A672-A676 PolarHBondContact O-N 2.96Å; A676-V679 CarbonylContact O-C 3.59Å; A676-V679 PolarHBondContact O-N 3.24Å; A676-V679 VanDerWaalsContact O-N 3.15Å; A676-M680 VanDerWaalsContact O-CG 3.31Å; A676-M680 WeakPolarHBondContact O-CG 3.09Å; A676-M680 PolarHBondContact O-N 2.83Å |
| 677 | A | 52 | Low | 51.3 | Low | 45 Ų | 45 | 93.7 Ų | 93.7 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L673 L674 S675 V679 M680 V681 | L673-A677 VanDerWaalsContact O-CB 3.27Å; L673-A677 WeakPolarHBondContact O-CB 3.31Å; L673-A677 PolarHBondContact O-N 3.24Å; L674-A677 PolarHBondContact O-N 2.87Å; S675-A677 VanDerWaalsContact C-N 3.32Å; S675-A677 PolarHBondContact O-N 3.04Å; A677-V679 PolarHBondContact O-N 2.99Å; A677-M680 CarbonylContact O-C 3.56Å; A677-M680 PolarHBondContact O-N 3.42Å; A677-M680 VanDerWaalsContact O-N 3.13Å; A677-V681 WeakPolarHBondContact O-CB 3.34Å; A677-V681 WeakPolarHBondContact O-CG2 3.3Å; A677-V681 PolarHBondContact O-N 2.98Å |
| 678 | K | 53.5 | Low | 48.7 | Very low | 120 Ų | 120 | 94.8 Ų | 94.8 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.4 | -30.2 | 173.7 | -168.3 | -180 | -178.6 | -177.1 | 0 | 112.4 | E623 L674 S675 | E623-K678 IonicContact OE1-NZ 2.77Å; E623-K678 PolarHBondContact OE1-NZ 3.21Å; E623-K678 IonicContact OE2-NZ 2.89Å; E623-K678 PolarHBondContact OE2-NZ 3.38Å; L674-K678 PolarHBondContact O-N 3.11Å; S675-K678 PolarHBondContact O-N 3.19Å |
| 679 | V | 49.7 | Very low | 46.1 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 38% | 0.376 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -82.3 | -31.7 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 112.7 | A264 S675 A676 A677 V681 | A264-V679 HydrophobicContact CB-CG1 4.03Å; S675-V679 WeakPolarHBondContact O-CG2 3.45Å; S675-V679 PolarHBondContact O-N 3.21Å; A676-V679 CarbonylContact O-C 3.59Å; A676-V679 PolarHBondContact O-N 3.24Å; A676-V679 VanDerWaalsContact O-N 3.15Å; A677-V679 PolarHBondContact O-N 2.99Å; V679-V681 VanDerWaalsContact C-N 3.34Å |
| 680 | M | 43 | Very low | 44.1 | Very low | 110 Ų | 110 | 98.4 Ų | 98.4 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -81.4 | -10.3 | 175.8 | -67.8 | 177.2 | 75.4 | 0 | 0 | 113.6 | L263 A676 A677 | L263-M680 HydrophobicContact CD1-CE 4.16Å; L263-M680 HydrophobicContact CD1-SD 3.91Å; L263-M680 HydrophobicContact CD2-CE 4.3Å; A676-M680 VanDerWaalsContact O-CG 3.31Å; A676-M680 WeakPolarHBondContact O-CG 3.09Å; A676-M680 PolarHBondContact O-N 2.83Å; A677-M680 CarbonylContact O-C 3.56Å; A677-M680 PolarHBondContact O-N 3.42Å; A677-M680 VanDerWaalsContact O-N 3.13Å |
| 681 | V | 41.2 | Very low | 42.4 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 70% | 0.697 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -128.6 | 66.4 | -175.6 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | A677 V679 | A677-V681 WeakPolarHBondContact O-CB 3.34Å; A677-V681 WeakPolarHBondContact O-CG2 3.3Å; A677-V681 PolarHBondContact O-N 2.98Å; V679-V681 VanDerWaalsContact C-N 3.34Å |
| 682 | S | 34 | Very low | 40.9 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | trans | 174.2 | 152.5 | 148.8 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 683 | P | 37.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 84% | 0.844 | 64% | 0.639 | S | S | * | * | S | Bend | cis | -107.8 | 102.6 | 6 | 36.4 | -25.4 | 0 | 0 | 0 | 113.6 | ||
| 684 | T | 29.5 | Very low | 38.3 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -120.2 | 138.8 | 138.8 | 37.7 | 0 | 0 | 0 | 0 | 107 | V686 | T684-V686 PolarHBondContact O-N 3.1Š|
| 685 | E | 34.5 | Very low | 37.1 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 93% | 0.93 | 66% | 0.661 | S | S | * | * | trans | -73 | 113 | -168.5 | -63.1 | 173.5 | 142.6 | 0 | 0 | 111.6 | ||||
| 686 | V | 29.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | trans | -142.3 | 101 | 158.5 | -170 | 0 | 0 | 0 | 0 | 108.2 | T684 L688 | T684-V686 PolarHBondContact O-N 3.1Å; V686-L688 HydrophobicContact CG1-CD1 4.43Å; V686-L688 HydrophobicContact CG1-CG 4.19Å; V686-L688 PolarHBondContact O-N 2.96Å | ||
| 687 | D | 28.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -65.2 | 118.1 | 171 | -87.4 | -45 | 0 | 0 | 0 | 110.1 | ||||
| 688 | L | 28.9 | Very low | 33.7 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -123.8 | 76.7 | 171.5 | -77.1 | 170.1 | 0 | 0 | 0 | 109.1 | V686 | V686-L688 HydrophobicContact CG1-CD1 4.43Å; V686-L688 HydrophobicContact CG1-CG 4.19Å; V686-L688 PolarHBondContact O-N 2.96Å | ||
| 689 | T | 26.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 123 | 172.3 | 42.9 | 0 | 0 | 0 | 0 | 110 | E691 | T689-E691 PolarHBondContact O-N 3.22Å; T689-E691 VanDerWaalsContact O-N 3.08Å | ||
| 690 | P | 29.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -79.2 | 9.6 | -166.4 | 31.2 | -36.8 | 0 | 0 | 0 | 115.2 | ||
| 691 | E | 31.9 | Very low | 31.3 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -92.6 | -6.7 | -171 | -60.8 | -161 | 139.4 | 0 | 0 | 115.2 | T689 | T689-E691 PolarHBondContact O-N 3.22Å; T689-E691 VanDerWaalsContact O-N 3.08Å |
| 692 | L | 32.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -99 | 6.4 | -178.7 | -75 | 172.1 | 0 | 0 | 0 | 115.1 | ||
| 693 | I | 29.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -113.9 | 53.5 | -179.1 | -42 | -178.3 | 0 | 0 | 0 | 111.4 | ||||
| 694 | F | 29.6 | Very low | 30.6 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -144.1 | 34.5 | 169.2 | -116.4 | -68 | 0 | 0 | 0 | 115.8 | ||
| 695 | Q | 31.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -145.3 | 151.8 | 161.4 | -113.8 | 175.9 | 21.2 | 0 | 0 | 112.4 | ||
| 696 | Q | 27.9 | Very low | 30.7 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 71.2 | 93.7 | 173.3 | -54 | -177.2 | 14.4 | 0 | 0 | 117.9 | ||||
| 697 | Q | 26.3 | Very low | 30.5 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -106.4 | 147.3 | 134.1 | -84 | -169.2 | -9.9 | 0 | 0 | 106.9 | ||||
| 698 | P | 32.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -149.5 | 131.2 | 81.1 | 36 | -15.6 | 0 | 0 | 0 | 117.9 | |||||
| 699 | L | 23.5 | Very low | 30.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 67.3 | 176.9 | 135.8 | -117 | 74.6 | 0 | 0 | 0 | 118.4 | ||||
| 700 | P | 45.8 | Very low | 30.1 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | -131.4 | 173.3 | -114.6 | 43.9 | -27.6 | 0 | 0 | 0 | 116.2 | |||||
| 701 | T | 27.3 | Very low | 30.1 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 173.3 | 156.4 | 133.5 | 26.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 702 | G | 26.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 82.6 | 113.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 703 | P | 34.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -97.1 | -173.2 | 156.6 | 42.6 | -35.9 | 0 | 0 | 0 | 110.6 | ||||
| 704 | P | 36.4 | Very low | 30 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -134.9 | -177.3 | -1.8 | 44.2 | -27.1 | 0 | 0 | 0 | 115.9 | ||||
| 705 | M | 24 | Very low | 29.9 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 7.9 | 164.5 | 134.5 | -57 | -65.3 | -87 | 0 | 0 | 121.4 | ||||
| 706 | P | 41.1 | Very low | 29.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -144.2 | -179.4 | -33.5 | 40.2 | -22.5 | 0 | 0 | 0 | 115.2 | ||||
| 707 | A | 26.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 58.1 | 147.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 708 | G | 23.7 | Very low | 29.7 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 155.5 | 112.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 709 | L | 27.7 | Very low | 29.4 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -74.3 | 143.9 | 174.3 | -78.9 | 148.7 | 0 | 0 | 0 | 112.6 | ||||
| 710 | A | 23.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -148 | 155.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 711 | L | 29.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -117 | 148.2 | -168.5 | -143.3 | 80.8 | 0 | 0 | 0 | 111.3 | ||||
| 712 | E | 24.2 | Very low | 28.6 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | 172.8 | 175.8 | 114.4 | -85.7 | -156 | 145.8 | 0 | 0 | 112.1 | |||||
| 713 | L | 30.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -101.9 | -178.4 | -165.9 | -110.6 | 79.6 | 0 | 0 | 0 | 112.4 | ||||
| 714 | P | 38.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | cis | -138.9 | 169.6 | 18.2 | 42.5 | -23.4 | 0 | 0 | 0 | 119 | ||||
| 715 | T | 27 | Very low | 28 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | 11.9 | 147.1 | 147.3 | 65.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 716 | A | 28.3 | Very low | 28.3 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | cis | -166.1 | 175.2 | 39.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 717 | D | 24.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 80 | 125.8 | 151.6 | -70.6 | -11 | 0 | 0 | 0 | 125.5 | ||||
| 718 | H | 27.9 | Very low | 27.8 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -75 | 173.2 | 165.3 | -64.4 | -79.7 | 0 | 0 | 0 | 111.5 | ||||
| 719 | R | 25.9 | Very low | 28.1 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | -177.6 | 176 | 61.4 | -135.8 | 164.6 | -168.2 | 173.4 | 3.1 | 113 | |||||
| 720 | N | 26.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -100.8 | 154.9 | -162.8 | -66 | -9.9 | 0 | 0 | 0 | 116.9 | ||||
| 721 | S | 28.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 70.7 | 130.5 | 135 | 65.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 722 | S | 26.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 138.1 | 120.1 | 108.7 | 66.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 723 | V | 28.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -154.9 | 125.9 | 160 | 179.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 724 | R | 28.1 | Very low | 28.2 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | cis | 93.8 | 110.9 | 24.2 | -161.6 | -176.2 | -165.6 | -177.1 | 8.6 | 114.7 | ||||
| 725 | S | 27.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -118.9 | 161.1 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 726 | K | 30.5 | Very low | 27.7 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -164.3 | 163.1 | 176.6 | -89.2 | -165.3 | 173 | -166 | 0 | 106 | ||||
| 727 | S | 26.6 | Very low | 27.7 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -164.5 | 136 | -9.7 | 38.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 728 | Q | 30 | Very low | 27.7 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | 60.6 | 114.2 | 76.6 | -157.1 | -173.5 | -1.8 | 0 | 0 | 115.7 | E730 | Q728-E730 PolarHBondContact NE2-OE1 3.07Š| |||
| 729 | S | 29.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 172.9 | 164.5 | 142.7 | 40.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 730 | E | 29.5 | Very low | 27.4 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | cis | 155.2 | 135.3 | -44 | -95.8 | -178.7 | -170.7 | 0 | 0 | 110.7 | Q728 | Q728-E730 PolarHBondContact NE2-OE1 3.07Š| ||
| 731 | M | 27.1 | Very low | 27.4 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 166.5 | 150.1 | 146.9 | 56 | -177.5 | 70.8 | 0 | 0 | 109.6 | ||||
| 732 | S | 24.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -173.4 | -165.2 | -15.1 | 57.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 733 | L | 27.3 | Very low | 27.3 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | -169.3 | 151.7 | -12.5 | -143.4 | 67.1 | 0 | 0 | 0 | 103 | ||||
| 734 | E | 29.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -162.7 | -179.1 | -14 | -119.2 | 175.4 | -143.7 | 0 | 0 | 106.6 | F736 | E734-F736 VanDerWaalsContact CD-CE2 3.49Å; E734-F736 HydrophobicContact CG-CD2 4.31Å; E734-F736 HydrophobicContact CG-CE2 4.13Å; E734-F736 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 735 | G | 24.3 | Very low | 27.4 | Very low | 58 Ų | 58 | 137.2 Ų | 137.2 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | cis | 179.6 | 167.1 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 736 | F | 30.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 57.4 | 143.4 | 139.9 | -67.2 | -64.1 | 0 | 0 | 0 | 122.7 | E734 | E734-F736 VanDerWaalsContact CD-CE2 3.49Å; E734-F736 HydrophobicContact CG-CD2 4.31Å; E734-F736 HydrophobicContact CG-CE2 4.13Å; E734-F736 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 737 | S | 27.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -163.7 | 176.3 | -3.6 | 59.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 738 | E | 25.5 | Very low | 27.6 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | cis | -155.5 | -173.8 | 1.8 | -158.6 | -88.8 | 107.8 | 0 | 0 | 106.2 | R740 | E738-R740 PolarHBondContact OE1-N 3.26Å; E738-R740 VanDerWaalsContact OE1-N 3.13Å | ||
| 739 | G | 23.9 | Very low | 27.5 | Very low | 58 Ų | 58 | 131.3 Ų | 131.3 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | 147.1 | 63 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 740 | R | 23.5 | Very low | 27.5 | Very low | 237 Ų | 237 | 130.8 Ų | 130.8 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | 52.3 | 131.1 | 162.8 | -86.1 | -175.9 | 173.1 | 176.1 | -0.6 | 120.9 | E738 | E738-R740 PolarHBondContact OE1-N 3.26Å; E738-R740 VanDerWaalsContact OE1-N 3.13Å | ||
| 741 | L | 26 | Very low | 27.8 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -99.3 | 150.7 | 169.2 | -76.5 | 161.3 | 0 | 0 | 0 | 113.5 | ||||
| 742 | L | 27.9 | Very low | 28.3 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -132.9 | 153.2 | 154.9 | -79 | 175.9 | 0 | 0 | 0 | 109.5 | ||||
| 743 | S | 25.4 | Very low | 28.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -104.6 | 137.1 | -159.7 | -173.7 | 0 | 0 | 0 | 0 | 114.9 | V745 | S743-V745 WeakPolarHBondContact OG-CG2 3.48Š| ||
| 744 | P | 30.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -99.5 | 92.2 | 173.5 | 36.1 | -29.9 | 0 | 0 | 0 | 112.6 | ||||
| 745 | V | 29 | Very low | 29.9 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -112.5 | 4.3 | -178.1 | 170.3 | 0 | 0 | 0 | 0 | 113.7 | S743 | S743-V745 WeakPolarHBondContact OG-CG2 3.48Š| ||
| 746 | V | 30.1 | Very low | 30.8 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -95.9 | -18.7 | -168.8 | -175.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 747 | A | 29.3 | Very low | 31.6 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 748 | A | 28.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -3.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 749 | A | 28 | Very low | 33.5 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.4 | -10.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 750 | A | 30.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93.5 | 9.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 751 | A | 35.5 | Very low | 36.1 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -123.9 | 25.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 752 | R | 36.9 | Very low | 37.8 | Very low | 241 Ų | 241 | 120.3 Ų | 120.3 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | trans | -142.4 | 109.8 | 167.2 | -74.9 | -170.3 | 175.2 | 179.8 | -2.3 | 111.1 | ||||
| 753 | Q | 34.5 | Very low | 39 | Very low | 170 Ų | 170 | 118 Ų | 118 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -132.6 | 142.3 | 157.2 | -74.2 | -170.7 | -84.9 | 0 | 0 | 107.7 | E757 | Q753-E757 PolarHBondContact NE2-OE2 3.23Š| ||
| 754 | D | 36.5 | Very low | 40.2 | Very low | 125 Ų | 125 | 121 Ų | 121 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | -76.5 | 148.4 | -174.3 | -83.9 | -52.2 | 0 | 0 | 0 | 112.4 | V756 E757 | D754-V756 PolarHBondContact O-N 3.4Å; D754-E757 PolarHBondContact O-N 3Å | ||
| 755 | P | 43 | Very low | 41.4 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -8.3 | -174.4 | 26.9 | -35.8 | 0 | 0 | 0 | 114.5 | ||
| 756 | V | 44 | Very low | 42.6 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -39 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | D754 L758 L759 | D754-V756 PolarHBondContact O-N 3.4Å; V756-L758 VanDerWaalsContact C-N 3.25Å; V756-L758 PolarHBondContact O-N 2.88Å; V756-L759 PolarHBondContact O-N 3.4Å |
| 757 | E | 46.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -62.8 | -36.5 | 175 | -74 | -166.1 | 128 | 0 | 0 | 111.4 | Q753 D754 L759 L760 | Q753-E757 PolarHBondContact NE2-OE2 3.23Å; D754-E757 PolarHBondContact O-N 3Å; E757-L759 PolarHBondContact O-N 3.24Å; E757-L760 PolarHBondContact O-N 3.14Å |
| 758 | L | 47.8 | Very low | 44.3 | Very low | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -62.2 | -18.7 | -176.9 | -126 | 171.7 | 0 | 0 | 0 | 113.2 | V756 R766 | V756-L758 VanDerWaalsContact C-N 3.25Å; V756-L758 PolarHBondContact O-N 2.88Å; L758-R766 PolarHBondContact O-NE 2.94Å; L758-R766 PolarHBondContact O-NH2 3.15Å |
| 759 | L | 45.8 | Very low | 45.1 | Very low | 135 Ų | 135 | 114.4 Ų | 114.4 | 71% | 0.707 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -85.4 | -12.6 | 175.5 | -82.8 | 165.3 | 0 | 0 | 0 | 114.5 | V756 E757 | V756-L759 PolarHBondContact O-N 3.4Å; E757-L759 PolarHBondContact O-N 3.24Å |
| 760 | L | 45.2 | Very low | 46.1 | Very low | 152 Ų | 152 | 115 Ų | 115 | 80% | 0.796 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -10.4 | -176.2 | -62 | 176.6 | 0 | 0 | 0 | 114 | E757 | E757-L760 PolarHBondContact O-N 3.14Š|
| 761 | L | 56.3 | Low | 46.8 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.435 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -72.1 | 145.4 | 179.6 | -72.3 | 168.7 | 0 | 0 | 0 | 113.1 | E765 R766 | L761-E765 HydrophobicContact CD2-CB 4.4Å; L761-R766 HydrophobicContact CB-CG 4.46Å |
| 762 | S | 62.4 | Low | 47.1 | Very low | 55 Ų | 55 | 118 Ų | 118 | 39% | 0.385 | 61% | 0.609 | S | S | . | * | trans | -69.6 | 159.2 | 176 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | Q764 E765 R766 | S762-Q764 PolarHBondContact O-N 3.03Å; S762-E765 WeakPolarHBondContact CB-OE2 3.43Å; S762-E765 PolarHBondContact N-OE2 2.88Å; S762-E765 PolarHBondContact O-N 3.36Å; S762-E765 VanDerWaalsContact OG-CD 3.26Å; S762-E765 WeakPolarHBondContact OG-CG 3.37Å; S762-E765 PolarHBondContact OG-N 3.02Å; S762-E765 PolarHBondContact OG-OE2 3.07Å; S762-R766 PolarHBondContact O-N 2.96Å | ||
| 763 | T | 52.5 | Low | 47.3 | Very low | 127 Ų | 127 | 110.8 Ų | 110.8 | 78% | 0.779 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -29.7 | 178.6 | 48.8 | 0 | 0 | 0 | 0 | 113 | L767 | T763-L767 PolarHBondContact O-N 3.11Å |
| 764 | Q | 52.1 | Low | 47.6 | Very low | 160 Ų | 160 | 111.4 Ų | 111.4 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.5 | -38.2 | 177.8 | -174.3 | 171.1 | -15.7 | 0 | 0 | 112.2 | S762 L767 A768 | S762-Q764 PolarHBondContact O-N 3.03Å; Q764-L767 PolarHBondContact O-N 2.95Å; Q764-A768 PolarHBondContact O-N 2.85Å; Q764-A768 VanDerWaalsContact O-N 3.11Å |
| 765 | E | 54.5 | Low | 47.5 | Very low | 103 Ų | 103 | 115.6 Ų | 115.6 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.4 | -40.8 | 178.9 | -68.9 | 160 | 131.8 | 0 | 0 | 111.8 | L761 S762 L767 A768 A769 | L761-E765 HydrophobicContact CD2-CB 4.4Å; S762-E765 WeakPolarHBondContact CB-OE2 3.43Å; S762-E765 PolarHBondContact N-OE2 2.88Å; S762-E765 PolarHBondContact O-N 3.36Å; S762-E765 VanDerWaalsContact OG-CD 3.26Å; S762-E765 WeakPolarHBondContact OG-CG 3.37Å; S762-E765 PolarHBondContact OG-N 3.02Å; S762-E765 PolarHBondContact OG-OE2 3.07Å; E765-L767 VanDerWaalsContact C-N 3.34Å; E765-L767 PolarHBondContact O-N 2.84Å; E765-A768 PolarHBondContact O-N 3.33Å; E765-A769 PolarHBondContact O-N 3.17Å |
| 766 | R | 54.5 | Low | 46.9 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.8 | -44.7 | 171.8 | -80 | -178.9 | 171 | -179.5 | -3.3 | 112 | L758 L761 S762 A768 A769 E770 | L758-R766 PolarHBondContact O-NE 2.94Å; L758-R766 PolarHBondContact O-NH2 3.15Å; L761-R766 HydrophobicContact CB-CG 4.46Å; S762-R766 PolarHBondContact O-N 2.96Å; R766-A768 VanDerWaalsContact C-N 3.35Å; R766-A768 PolarHBondContact O-N 3.38Å; R766-A769 PolarHBondContact O-N 3.04Å; R766-E770 PolarHBondContact O-N 3.13Å |
| 767 | L | 44.1 | Very low | 46.4 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 178.9 | -169.3 | 72.4 | 0 | 0 | 0 | 112 | T763 Q764 E765 L771 | T763-L767 PolarHBondContact O-N 3.11Å; Q764-L767 PolarHBondContact O-N 2.95Å; E765-L767 VanDerWaalsContact C-N 3.34Å; E765-L767 PolarHBondContact O-N 2.84Å; L767-L771 HydrophobicContact CG-CD1 4.26Å; L767-L771 WeakPolarHBondContact O-CB 3.38Å; L767-L771 WeakPolarHBondContact O-CG 3.02Å; L767-L771 PolarHBondContact O-N 3.04Å |
| 768 | A | 50.1 | Low | 45.6 | Very low | 54 Ų | 54 | 118.6 Ų | 118.6 | 45% | 0.446 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.1 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q764 E765 R766 E770 L771 Q772 | Q764-A768 PolarHBondContact O-N 2.85Å; Q764-A768 VanDerWaalsContact O-N 3.11Å; E765-A768 PolarHBondContact O-N 3.33Å; R766-A768 VanDerWaalsContact C-N 3.35Å; R766-A768 PolarHBondContact O-N 3.38Å; A768-E770 PolarHBondContact O-N 2.96Å; A768-L771 PolarHBondContact O-N 3.25Å; A768-Q772 WeakPolarHBondContact O-CB 3.32Å; A768-Q772 PolarHBondContact O-N 3.46Å |
| 769 | A | 47.2 | Very low | 44.7 | Very low | 63 Ų | 63 | 118.5 Ų | 118.5 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -61 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E765 R766 Q772 A773 | E765-A769 PolarHBondContact O-N 3.17Å; R766-A769 PolarHBondContact O-N 3.04Å; A769-Q772 PolarHBondContact O-N 3.16Å; A769-A773 PolarHBondContact O-N 3.07Å |
| 770 | E | 47.4 | Very low | 43.8 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 49% | 0.486 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.2 | -35.5 | -179.4 | -156.7 | -169.6 | 153 | 0 | 0 | 112.7 | R766 A768 Q772 R774 | R766-E770 PolarHBondContact O-N 3.13Å; A768-E770 PolarHBondContact O-N 2.96Å; E770-Q772 VanDerWaalsContact C-N 3.34Å; E770-R774 WeakPolarHBondContact O-CG 3.35Å; E770-R774 PolarHBondContact O-N 3.45Å; E770-R774 IonicContact OE1-CZ 3.32Å; E770-R774 VanDerWaalsContact OE1-CZ 3.32Å; E770-R774 IonicContact OE1-NE 3.5Å; E770-R774 IonicContact OE1-NH2 2.61Å; E770-R774 PolarHBondContact OE1-NH2 3.36Å |
| 771 | L | 46.2 | Very low | 42.9 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 60% | 0.597 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.7 | -36.3 | 171.3 | -78.8 | 168.6 | 0 | 0 | 0 | 112.2 | L767 A768 R774 | L767-L771 HydrophobicContact CG-CD1 4.26Å; L767-L771 WeakPolarHBondContact O-CB 3.38Å; L767-L771 WeakPolarHBondContact O-CG 3.02Å; L767-L771 PolarHBondContact O-N 3.04Å; A768-L771 PolarHBondContact O-N 3.25Å; L771-R774 PolarHBondContact O-N 3.47Å |
| 772 | Q | 41.9 | Very low | 41.7 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.8 | -34.8 | -179.1 | -161.1 | 146.8 | -41.9 | 0 | 0 | 112.1 | A768 A769 E770 R774 | A768-Q772 WeakPolarHBondContact O-CB 3.32Å; A768-Q772 PolarHBondContact O-N 3.46Å; A769-Q772 PolarHBondContact O-N 3.16Å; E770-Q772 VanDerWaalsContact C-N 3.34Å; Q772-R774 VanDerWaalsContact C-N 3.27Å; Q772-R774 PolarHBondContact O-N 2.83Å |
| 773 | A | 39.8 | Very low | 40 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.8 | -19.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A769 | A769-A773 PolarHBondContact O-N 3.07Å |
| 774 | R | 40.9 | Very low | 39 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 5.1 | -177.8 | -70.1 | 179.2 | -175 | -149.7 | 1.9 | 114.8 | E770 L771 Q772 A776 | E770-R774 WeakPolarHBondContact O-CG 3.35Å; E770-R774 PolarHBondContact O-N 3.45Å; E770-R774 IonicContact OE1-CZ 3.32Å; E770-R774 VanDerWaalsContact OE1-CZ 3.32Å; E770-R774 IonicContact OE1-NE 3.5Å; E770-R774 IonicContact OE1-NH2 2.61Å; E770-R774 PolarHBondContact OE1-NH2 3.36Å; L771-R774 PolarHBondContact O-N 3.47Å; Q772-R774 VanDerWaalsContact C-N 3.27Å; Q772-R774 PolarHBondContact O-N 2.83Å; R774-A776 PolarHBondContact O-N 3.15Å |
| 775 | R | 34.6 | Very low | 37.9 | Very low | 213 Ų | 213 | 125.6 Ų | 125.6 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -82.4 | 91 | 176.8 | -79.8 | -176.4 | 166.9 | 162.4 | -2.6 | 112.4 | ||||
| 776 | A | 31.5 | Very low | 36.7 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149.8 | 162 | 0 | 0 | 0 | 0 | 0 | 111.2 | R774 L778 | R774-A776 PolarHBondContact O-N 3.15Å; A776-L778 PolarHBondContact O-N 3.32Å |
| 777 | P | 33.7 | Very low | 35.5 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.4 | 177.2 | 28.5 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 778 | L | 28.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.6 | 171.9 | -82.2 | 154.8 | 0 | 0 | 0 | 110.1 | A776 | A776-L778 PolarHBondContact O-N 3.32Š|
| 779 | A | 29.2 | Very low | 33.7 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 780 | T | 26.9 | Very low | 32.7 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.6 | -179.5 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 781 | M | 26.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -113 | 127.4 | 163.5 | -87.9 | -175.6 | 59.6 | 0 | 0 | 110.3 | ||||
| 782 | E | 30.1 | Very low | 30.9 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -128.2 | 149.7 | 160.4 | -69.1 | -174.3 | 148.4 | 0 | 0 | 107.2 | ||||
| 783 | S | 28.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | -164.3 | 177.5 | -25.9 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 784 | L | 30.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 71.2 | 136.3 | 170.5 | -49 | 177.9 | 0 | 0 | 0 | 116.1 | ||||
| 785 | S | 29.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | cis | -168.8 | 139 | -11.2 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 786 | D | 29.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 55.3 | 145.8 | 136 | -50.6 | -18.1 | 0 | 0 | 0 | 120 | ||||
| 787 | T | 28.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | cis | -164.5 | 171.3 | -8.5 | 21.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 788 | E | 29.1 | Very low | 28.3 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | cis | -150.5 | 173 | 2.5 | -139.2 | -164.9 | 92.2 | 0 | 0 | 112.8 | ||||
| 789 | S | 27.2 | Very low | 28.3 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 52% | 0.517 | 78% | 0.776 | S | S | . | * | trans | 17.8 | 130.3 | 148 | 64.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 790 | L | 27.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | 46.1 | 119.2 | 122.8 | -54.9 | 169.2 | 0 | 0 | 0 | 120.9 | |||||
| 791 | Y | 28.4 | Very low | 28.3 | Very low | 222 Ų | 222 | 146 Ų | 146 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | -176 | 128.2 | 109.4 | -110.3 | -87.8 | 0 | 0 | 0 | 111.1 | |||||
| 792 | S | 26.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 50.3 | 156.1 | 130.8 | -168.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 793 | F | 27.6 | Very low | 28.4 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -38.4 | 151.3 | 147.4 | -59.6 | -101.1 | 0 | 0 | 0 | 111.4 | ||||
| 794 | D | 26.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -157.1 | -157.1 | 44.3 | -165.2 | -1.6 | 0 | 0 | 0 | 112.8 | ||||
| 795 | S | 28.3 | Very low | 28.3 | Very low | 89 Ų | 89 | 148.3 Ų | 148.3 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | -90.1 | 164.3 | -164.3 | -52.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 796 | R | 28.9 | Very low | 28.1 | Very low | 235 Ų | 235 | 147.8 Ų | 147.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 108.4 | 135.7 | 151.9 | -60.2 | 170.5 | 174.6 | -171.4 | -1.3 | 118.1 | ||||
| 797 | R | 29.2 | Very low | 28.1 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | 54 | 112.3 | 142.6 | -76.8 | -174.6 | 169.6 | -178.7 | -3.5 | 120.4 | ||||
| 798 | S | 27.4 | Very low | 28.5 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | 71.8 | 121.1 | 110.1 | -156.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 799 | S | 29.9 | Very low | 28.3 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 56 | 124.2 | 136.3 | 63.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 800 | G | 27 | Very low | 28.4 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 150.5 | 102.1 | 142 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 801 | F | 27.8 | Very low | 28.4 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | 36 | 114.2 | 145 | -83.1 | -121.5 | 0 | 0 | 0 | 119.5 | ||||
| 802 | R | 29.8 | Very low | 28.4 | Very low | 212 Ų | 212 | 139.5 Ų | 139.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | 88.5 | 124.8 | 67 | -170.5 | -162.3 | -155.4 | -172.8 | 13 | 113.1 | |||||
| 803 | S | 29.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 131.9 | 160.1 | 126.7 | -150.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 804 | I | 28 | Very low | 28.6 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | 87.4 | 102.8 | 157.4 | -58.3 | -172.3 | 0 | 0 | 0 | 120.4 | ||||
| 805 | R | 28.8 | Very low | 28.8 | Very low | 240 Ų | 240 | 136 Ų | 136 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | trans | 55.8 | 148.7 | 137.2 | -61.8 | 176.3 | -177.1 | 146.2 | -2.7 | 121.5 | ||||
| 806 | G | 25.2 | Very low | 29 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -178.1 | 3.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 807 | S | 29.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -76.6 | 130.8 | 176.4 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 808 | P | 37 | Very low | 29.3 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | -143.7 | 174.3 | 107.4 | 37.2 | -22 | 0 | 0 | 0 | 112 | |||||
| 809 | S | 26.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | cis | -167.7 | 162.4 | -20 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 810 | L | 29.1 | Very low | 29.3 | Very low | 143 Ų | 143 | 129 Ų | 129 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | 36.9 | 145.2 | 138.6 | -62.5 | 167.1 | 0 | 0 | 0 | 120.3 | ||||
| 811 | H | 26.1 | Very low | 29.4 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | cis | -167.4 | 172.8 | 27.9 | -144.1 | -21.9 | 0 | 0 | 0 | 111.9 | ||||
| 812 | A | 29.1 | Very low | 29.4 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | 85.1 | 135.6 | 132.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 813 | V | 28.5 | Very low | 29.2 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | cis | -167.6 | 142.4 | -17.6 | 94.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 814 | L | 29.5 | Very low | 29 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 71% | 0.707 | 70% | 0.699 | S | S | * | * | trans | 62.2 | 157.4 | 150.9 | -54.2 | -178 | 0 | 0 | 0 | 119 | ||||
| 815 | E | 31.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | cis | -169 | 178.6 | -4.7 | -118.6 | 176.2 | -167.6 | 0 | 0 | 108.8 | ||||
| 816 | R | 31.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | cis | -139 | 175.5 | -6 | -73.6 | -149.6 | 83.7 | 78 | 18 | 105.3 | ||||
| 817 | D | 30.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | cis | -176.1 | 168.7 | -20.1 | -98.3 | 23.6 | 0 | 0 | 0 | 104.3 | ||||
| 818 | E | 34.1 | Very low | 30.5 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 61% | 0.612 | 69% | 0.688 | S | S | * | * | cis | -155.1 | 165.6 | -38.2 | -131.9 | -74.2 | 58.6 | 0 | 0 | 104 | H820 | E818-H820 PolarHBondContact OE1-N 3.02Å; E818-H820 IonicContact OE2-CE1 3.37Å; E818-H820 PolarHBondContact OE2-CE1 2.9Å; E818-H820 IonicContact OE2-ND1 3.67Å; E818-H820 IonicContact OE2-NE2 3.91Å | ||
| 819 | G | 28.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | trans | 178.1 | 21.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 820 | H | 28.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | 40.1 | 144.7 | 158.7 | -57 | -71.4 | 0 | 0 | 0 | 122 | E818 | E818-H820 PolarHBondContact OE1-N 3.02Å; E818-H820 IonicContact OE2-CE1 3.37Å; E818-H820 PolarHBondContact OE2-CE1 2.9Å; E818-H820 IonicContact OE2-ND1 3.67Å; E818-H820 IonicContact OE2-NE2 3.91Å | ||
| 821 | L | 28.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 57% | 0.565 | 69% | 0.694 | S | S | * | * | cis | -178.9 | 156.2 | -37.4 | -115.5 | 172.4 | 0 | 0 | 0 | 108.8 | ||||
| 822 | F | 27.8 | Very low | 30.7 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | trans | 66.8 | 150.4 | 156.7 | -68.5 | -44.2 | 0 | 0 | 0 | 120.2 | ||||
| 823 | Y | 24.9 | Very low | 31.5 | Very low | 201 Ų | 201 | 133 Ų | 133 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | cis | -168.2 | 159.5 | -18.7 | -165.5 | -133.7 | 0 | 0 | 0 | 111.7 | ||||
| 824 | I | 26.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 134 Ų | 134 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 136.3 | 134.2 | 140.9 | -69.9 | 169.9 | 0 | 0 | 0 | 112.4 | ||||
| 825 | D | 24.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -144.2 | -169.9 | 171.3 | -151.6 | 18.1 | 0 | 0 | 0 | 109.1 | ||||
| 826 | P | 56.2 | Low | 31 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | -125.7 | -171.5 | -113.6 | 41.7 | -23.2 | 0 | 0 | 0 | 115.2 | |||||
| 827 | A | 26.3 | Very low | 30.8 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -147.4 | 90.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 828 | I | 34.4 | Very low | 30.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 28.8 | 126.8 | 111.7 | -61.9 | 176.1 | 0 | 0 | 0 | 115.8 | |||||
| 829 | P | 36.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | -148.9 | 174.3 | 70.4 | 41.3 | -22 | 0 | 0 | 0 | 120.3 | |||||
| 830 | E | 28.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -79.2 | -175.9 | 172.2 | -46.9 | 163.6 | 128.3 | 0 | 0 | 111.3 | ||||
| 831 | E | 30.2 | Very low | 30.6 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -159.7 | 153.8 | 6.1 | -150.2 | -161.4 | -145.4 | 0 | 0 | 112 | ||||
| 832 | N | 27.1 | Very low | 30.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | 59.9 | 159 | 147.9 | -86 | -29.9 | 0 | 0 | 0 | 124.1 | ||||
| 833 | P | 46.1 | Very low | 30.3 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -108.6 | 167.9 | -167.6 | 41.7 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 834 | S | 26.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | trans | -134.5 | 174 | 171.9 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 835 | L | 26.1 | Very low | 30.3 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -99.5 | 161.9 | -165.8 | -72.7 | 161 | 0 | 0 | 0 | 114.2 | ||||
| 836 | S | 25.8 | Very low | 30.3 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 71.1 | 153.6 | 161.7 | -80.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 837 | S | 28.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -167.3 | 162.5 | -12 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 838 | R | 32.1 | Very low | 28.6 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | 66.8 | 126.3 | 170.6 | -54.7 | 178.2 | 78.7 | 127.3 | 0.8 | 114 | ||||
| 839 | T | 27.6 | Very low | 28.2 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | 72.1 | 135.1 | 44.6 | -34.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 840 | E | 29.3 | Very low | 27.7 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 82 | 145.1 | 167.8 | -52.7 | -162.8 | 133.2 | 0 | 0 | 116.2 | ||||
| 841 | L | 27.9 | Very low | 27.6 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | cis | -165.1 | 167.6 | -8.3 | -118.9 | 175.1 | 0 | 0 | 0 | 111 | ||||
| 842 | L | 26.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 63.2 | 143.7 | 162.5 | -58.7 | 163.9 | 0 | 0 | 0 | 116.7 | ||||
| 843 | A | 24.5 | Very low | 27.4 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | cis | 85.8 | 88.6 | 25.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 844 | A | 26.1 | Very low | 26.6 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | trans | -157.6 | 121.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 845 | D | 25 | Very low | 26.8 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | 84.2 | 132.9 | 45.1 | -160.6 | -3.8 | 0 | 0 | 0 | 113.1 | ||||
| 846 | S | 24.1 | Very low | 27.6 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | trans | 70.7 | 127.6 | 161.1 | -71.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 847 | L | 24.8 | Very low | 27.7 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | 69.7 | 155.3 | 153.6 | -58 | 164.4 | 0 | 0 | 0 | 117.8 | ||||
| 848 | S | 23.2 | Very low | 27.6 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | -170.9 | 143.9 | -28.1 | 60 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 849 | K | 25.1 | Very low | 27.4 | Very low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | 63.6 | 159 | 154.6 | -69.3 | -179.3 | 176.3 | 179 | 0 | 119.8 | ||||
| 850 | H | 26.3 | Very low | 27.5 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 127.2 | 174.6 | -60 | -72.2 | 0 | 0 | 0 | 116.1 | ||||
| 851 | S | 25.8 | Very low | 27.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | 92.2 | 152.7 | 25.3 | -163.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 852 | Q | 27.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 77.6 | 142.3 | -175.2 | -52 | -165.5 | -93.5 | 0 | 0 | 115.3 | ||||
| 853 | D | 26.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | cis | -162.7 | 143.2 | -18.3 | -111.4 | -39.1 | 0 | 0 | 0 | 110.4 | ||||
| 854 | T | 27.9 | Very low | 27.6 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | 179 | 106.4 | 134.4 | 21.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 855 | Q | 32.2 | Very low | 27.6 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -26.9 | 177.2 | 151.8 | -77 | -178.1 | 5.1 | 0 | 0 | 120.1 | ||||
| 856 | P | 42.1 | Very low | 27.9 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -137.1 | 173.5 | 3.6 | 17.2 | 9.5 | 0 | 0 | 0 | 118.6 | ||||
| 857 | L | 27.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 67.4 | 143.6 | 151.9 | -96.8 | 72.5 | 0 | 0 | 0 | 119.5 | ||||
| 858 | E | 27.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -155.4 | 145 | -6.2 | -154.6 | 158.1 | -138.5 | 0 | 0 | 112.8 | ||||
| 859 | V | 28.2 | Very low | 29.9 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 24.1 | 145.7 | 150 | 176.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 860 | A | 29.1 | Very low | 30.1 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | cis | 177.9 | -161.5 | -23.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 861 | L | 28.4 | Very low | 31.3 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | cis | -161.6 | 117.1 | -5.8 | -150.3 | 172.6 | 0 | 0 | 0 | 111.1 | ||||
| 862 | G | 27 | Very low | 32.7 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 67.4 | -175.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 863 | S | 27.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | cis | -166.8 | 143.2 | -23.3 | -167.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 864 | G | 27 | Very low | 33.5 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 66.3 | 104.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 865 | G | 26.8 | Very low | 33.8 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | 93.9 | 146.8 | 103.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 866 | V | 30.2 | Very low | 33.8 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 91.4 | 89.3 | 135.5 | -174.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 867 | T | 30.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 63.9 | -175.6 | 132.5 | 67.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 868 | P | 51.9 | Low | 33.5 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | -137.5 | 170.1 | -65.9 | 40.3 | -23.7 | 0 | 0 | 0 | 118.6 | |||||
| 869 | E | 32.7 | Very low | 33.6 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 46.7 | 134.9 | 145.5 | -81.2 | -138.6 | 118.4 | 0 | 0 | 126.9 | ||||
| 870 | R | 29.4 | Very low | 33.7 | Very low | 202 Ų | 202 | 120.3 Ų | 120.3 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 79.3 | 171.4 | 135.7 | -78.6 | -177.3 | 178.8 | -153.7 | -6.4 | 121.2 | ||||
| 871 | P | 51 | Low | 33.8 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | -136.8 | -130.2 | -71.9 | 43.6 | -21.5 | 0 | 0 | 0 | 111.5 | |||||
| 872 | P | 54.3 | Low | 33.9 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | -124.8 | 166.4 | -58.2 | 39.9 | -23.7 | 0 | 0 | 0 | 116.8 | |||||
| 873 | S | 36 | Very low | 33.9 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 49.3 | 135.1 | 137.8 | 70.2 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 874 | A | 35.8 | Very low | 33.9 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 101.4 | 139.8 | 129.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 875 | S | 33.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 164.1 | 158.9 | 40 | 0 | 0 | 0 | 0 | 120 | ||||
| 876 | A | 33.8 | Very low | 33.9 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | cis | -178.8 | 177.5 | -28.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 877 | N | 32 | Very low | 33.7 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | cis | -164.1 | 177.1 | -5.1 | -133.2 | 41.1 | 0 | 0 | 0 | 110.5 | ||||
| 878 | D | 30.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | 53.9 | 123.6 | 153.5 | -48.3 | -30.8 | 0 | 0 | 0 | 121.9 | ||||
| 879 | E | 30.2 | Very low | 32.3 | Very low | 175 Ų | 175 | 121.5 Ų | 121.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | 77.6 | 149.6 | 96.2 | -64.7 | -178.3 | 162.7 | 0 | 0 | 115.4 | |||||
| 880 | E | 30.2 | Very low | 32 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -151.6 | -159.1 | 16 | -143.2 | -175.1 | -173.1 | 0 | 0 | 113.8 | ||||
| 881 | E | 30.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -62.6 | -173.7 | -166.2 | -66.4 | -163.6 | 146.9 | 0 | 0 | 119.7 | ||||
| 882 | V | 30.6 | Very low | 30.6 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | cis | -157.2 | 144.4 | 28.4 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 883 | G | 27.6 | Very low | 29.2 | Very low | 79 Ų | 79 | 117.4 Ų | 117.4 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 88.8 | 142.2 | 151 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 884 | G | 27.7 | Very low | 28.5 | Very low | 87 Ų | 87 | 119.8 Ų | 119.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | cis | 133.1 | 125.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 885 | G | 26.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | cis | 178.4 | 179.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 886 | G | 26.6 | Very low | 27.5 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 125 | 103.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 887 | G | 26.6 | Very low | 27 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | 82.9 | 132.3 | 143 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 888 | G | 25.7 | Very low | 26.8 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 139 | 121.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 889 | L | 26.7 | Very low | 26.5 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -129.6 | 144.8 | 178.3 | -169.3 | 75.3 | 0 | 0 | 0 | 111 | ||||
| 890 | A | 26.2 | Very low | 26.2 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | 85.2 | 141.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 891 | S | 23.9 | Very low | 26 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | 60.3 | 99.3 | 146.8 | 54.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 892 | R | 26.8 | Very low | 25.7 | Very low | 228 Ų | 228 | 125.8 Ų | 125.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 54.4 | 111.3 | 102.9 | -175.3 | -175.6 | 177.4 | 177.6 | -1.6 | 119.4 | |||||
| 893 | G | 24.6 | Very low | 25.7 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | -108.8 | 164.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 894 | E | 23.1 | Very low | 25.8 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | cis | 66.1 | 136.2 | 24.4 | -64.4 | -162.5 | 161.2 | 0 | 0 | 114 | ||||
| 895 | L | 23.3 | Very low | 25.9 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | -153.1 | 163.1 | -0.5 | -107.9 | 160 | 0 | 0 | 0 | 106.9 | ||||
| 896 | A | 25.2 | Very low | 25.9 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -151.1 | -177.2 | 5.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 897 | L | 23.2 | Very low | 26.4 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -147 | 120.4 | 171.8 | -157.3 | 163.4 | 0 | 0 | 0 | 112.1 | ||||
| 898 | H | 26.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -149.1 | 150.1 | 174.7 | -91.5 | -15.7 | 0 | 0 | 0 | 108.7 | ||||
| 899 | N | 24.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | cis | -153 | 132.1 | -10.5 | -125.7 | -13.3 | 0 | 0 | 0 | 109 | ||||
| 900 | G | 24.2 | Very low | 27.9 | Very low | 76 Ų | 76 | 115 Ų | 115 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | trans | -125.3 | 92.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L902 | G900-L902 PolarHBondContact O-N 2.85Š| ||
| 901 | R | 25.3 | Very low | 28.4 | Very low | 245 Ų | 245 | 114.9 Ų | 114.9 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -79.5 | 110.2 | 171.8 | -81.3 | -174.7 | 174.2 | -176.8 | -1.6 | 110.3 | ||||
| 902 | L | 25.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 113.6 Ų | 113.6 | 85% | 0.848 | 63% | 0.634 | S | S | * | * | trans | -127.5 | 142.6 | 136.1 | -85.2 | 98.1 | 0 | 0 | 0 | 107.8 | G900 | G900-L902 PolarHBondContact O-N 2.85Š| ||
| 903 | G | 29.2 | Very low | 29.5 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -127 | 123.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 904 | D | 29.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 108.1 Ų | 108.1 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 122.4 | 177.6 | -71.2 | -55.7 | 0 | 0 | 0 | 109.9 | ||
| 905 | S | 29.6 | Very low | 30.9 | Very low | 97 Ų | 97 | 106.7 Ų | 106.7 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 164.5 | 169.5 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 906 | P | 27.5 | Very low | 31.5 | Very low | 45 Ų | 45 | 103.7 Ų | 103.7 | 29% | 0.292 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -53.2 | 153.6 | 163.7 | 26 | -36.4 | 0 | 0 | 0 | 110.9 | W305 L309 | W305-P906 HydrophobicContact CZ3-CB 4.14Å; L309-P906 HydrophobicContact CD1-CB 4.09Å |
| 907 | S | 37 | Very low | 32 | Very low | 37 Ų | 37 | 102 Ų | 102 | 26% | 0.259 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 130.1 | -174.5 | 58 | 0 | 0 | 0 | 0 | 111.1 | Q909 V910 | S907-Q909 PolarHBondContact O-N 2.97Å; S907-Q909 VanDerWaalsContact O-N 3.13Å; S907-V910 PolarHBondContact O-N 3.5Å |
| 908 | P | 37.9 | Very low | 32.6 | Very low | 66 Ų | 66 | 97.2 Ų | 97.2 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -29.1 | -173.9 | 23.2 | -33.6 | 0 | 0 | 0 | 112 | V910 L911 E912 | P908-V910 PolarHBondContact O-N 2.97Å; P908-L911 CarbonylContact O-C 3.52Å; P908-L911 WeakPolarHBondContact O-CA 3.41Å; P908-L911 PolarHBondContact O-N 2.84Å; P908-E912 HydrophobicContact CB-CG 4.32Å; P908-E912 WeakPolarHBondContact O-CB 3.47Å; P908-E912 WeakPolarHBondContact O-CG 3.39Å; P908-E912 PolarHBondContact O-N 2.76Å |
| 909 | Q | 35.8 | Very low | 33.2 | Very low | 82 Ų | 82 | 94 Ų | 94 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -40.5 | -41.8 | 174.5 | -70.1 | 153.4 | 6.1 | 0 | 0 | 115.7 | T205 S907 F913 | T205-Q909 HydrophobicContact CG2-CG 3.59Å; S907-Q909 PolarHBondContact O-N 2.97Å; S907-Q909 VanDerWaalsContact O-N 3.13Å; Q909-F913 WeakPolarHBondContact O-CB 3.48Å; Q909-F913 PolarHBondContact O-N 3.31Å; Q909-F913 VanDerWaalsContact O-N 3.09Å |
| 910 | V | 37.3 | Very low | 33.5 | Very low | 48 Ų | 48 | 90.4 Ų | 90.4 | 29% | 0.291 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.1 | -36.2 | -176.9 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | P306 S907 P908 A914 | P306-V910 HydrophobicContact CB-CG1 4.33Å; S907-V910 PolarHBondContact O-N 3.5Å; P908-V910 PolarHBondContact O-N 2.97Å; V910-A914 WeakPolarHBondContact O-CB 3.11Å; V910-A914 PolarHBondContact O-N 3.4Å |
| 911 | L | 36.5 | Very low | 34 | Very low | 81 Ų | 81 | 89.9 Ų | 89.9 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.7 | -48.7 | 174.8 | -66.8 | 167.6 | 0 | 0 | 0 | 110.2 | P908 F913 A914 E915 | P908-L911 CarbonylContact O-C 3.52Å; P908-L911 WeakPolarHBondContact O-CA 3.41Å; P908-L911 PolarHBondContact O-N 2.84Å; L911-F913 VanDerWaalsContact C-N 3.32Å; L911-F913 PolarHBondContact O-N 3.29Å; L911-A914 PolarHBondContact O-N 2.97Å; L911-A914 VanDerWaalsContact O-N 3.14Å; L911-E915 WeakPolarHBondContact O-CB 3.41Å; L911-E915 WeakPolarHBondContact O-CG 3.49Å; L911-E915 PolarHBondContact O-N 3.38Å |
| 912 | E | 38.4 | Very low | 34.5 | Very low | 80 Ų | 80 | 81.5 Ų | 81.5 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -37.2 | 177.7 | -71.9 | 173.1 | 169.6 | 0 | 0 | 112.8 | P908 F916 | P908-E912 HydrophobicContact CB-CG 4.32Å; P908-E912 WeakPolarHBondContact O-CB 3.47Å; P908-E912 WeakPolarHBondContact O-CG 3.39Å; P908-E912 PolarHBondContact O-N 2.76Å; E912-F916 WeakPolarHBondContact O-CB 3.38Å; E912-F916 PolarHBondContact O-N 2.71Å |
| 913 | F | 35.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 76 Ų | 76 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.2 | -41.2 | 175.1 | -177.2 | -110.2 | 0 | 0 | 0 | 112.1 | Q909 L911 F916 I917 | Q909-F913 WeakPolarHBondContact O-CB 3.48Å; Q909-F913 PolarHBondContact O-N 3.31Å; Q909-F913 VanDerWaalsContact O-N 3.09Å; L911-F913 VanDerWaalsContact C-N 3.32Å; L911-F913 PolarHBondContact O-N 3.29Å; F913-F916 PolarHBondContact O-N 3.35Å; F913-I917 HydrophobicContact CD2-CG1 4.42Å; F913-I917 HydrophobicContact CE1-CG1 4.31Å; F913-I917 HydrophobicContact CE2-CD1 4.28Å; F913-I917 HydrophobicContact CE2-CG1 4.03Å; F913-I917 HydrophobicContact CZ-CD1 4.32Å; F913-I917 HydrophobicContact CZ-CG1 3.98Å; F913-I917 WeakPolarHBondContact O-CG1 3.46Å; F913-I917 PolarHBondContact O-N 3.13Å |
| 914 | A | 37.3 | Very low | 35.1 | Very low | 47 Ų | 47 | 74.2 Ų | 74.2 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V910 L911 I917 D918 | V910-A914 WeakPolarHBondContact O-CB 3.11Å; V910-A914 PolarHBondContact O-N 3.4Å; L911-A914 PolarHBondContact O-N 2.97Å; L911-A914 VanDerWaalsContact O-N 3.14Å; A914-I917 PolarHBondContact O-N 3.06Å; A914-D918 WeakPolarHBondContact O-CB 3.23Å; A914-D918 PolarHBondContact O-N 3.34Å |
| 915 | E | 39 | Very low | 35.3 | Very low | 128 Ų | 128 | 71.9 Ų | 71.9 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67 | -33.9 | 176.5 | -72.8 | 177.9 | -179.5 | 0 | 0 | 112.6 | L911 S919 | L911-E915 WeakPolarHBondContact O-CB 3.41Å; L911-E915 WeakPolarHBondContact O-CG 3.49Å; L911-E915 PolarHBondContact O-N 3.38Å; E915-S919 WeakPolarHBondContact O-CA 3.34Å; E915-S919 WeakPolarHBondContact O-CB 3.43Å; E915-S919 PolarHBondContact O-N 3.02Å |
| 916 | F | 36.9 | Very low | 35.3 | Very low | 88 Ų | 88 | 75.1 Ų | 75.1 | 39% | 0.386 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 173.9 | 172.2 | -105.4 | 0 | 0 | 0 | 112 | E912 F913 L920 | E912-F916 WeakPolarHBondContact O-CB 3.38Å; E912-F916 PolarHBondContact O-N 2.71Å; F913-F916 PolarHBondContact O-N 3.35Å; F916-L920 HydrophobicContact CD1-CD1 4.19Å; F916-L920 HydrophobicContact CD2-CD1 4.5Å; F916-L920 HydrophobicContact CE1-CD1 3.69Å; F916-L920 HydrophobicContact CE2-CD1 4.04Å; F916-L920 HydrophobicContact CZ-CD1 3.62Å; F916-L920 WeakPolarHBondContact O-CG 3.48Å; F916-L920 PolarHBondContact O-N 2.61Å |
| 917 | I | 35.6 | Very low | 35.3 | Very low | 52 Ų | 52 | 78.4 Ų | 78.4 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 176.2 | -66.7 | -64.7 | 0 | 0 | 0 | 110.7 | L647 F913 A914 L920 F921 | L647-I917 HydrophobicContact CD1-CG2 3.9Å; L647-I917 HydrophobicContact CD2-CG2 4.42Å; F913-I917 HydrophobicContact CD2-CG1 4.42Å; F913-I917 HydrophobicContact CE1-CG1 4.31Å; F913-I917 HydrophobicContact CE2-CD1 4.28Å; F913-I917 HydrophobicContact CE2-CG1 4.03Å; F913-I917 HydrophobicContact CZ-CD1 4.32Å; F913-I917 HydrophobicContact CZ-CG1 3.98Å; F913-I917 WeakPolarHBondContact O-CG1 3.46Å; F913-I917 PolarHBondContact O-N 3.13Å; A914-I917 PolarHBondContact O-N 3.06Å; I917-L920 PolarHBondContact O-N 3.22Å; I917-F921 WeakPolarHBondContact O-CD2 3.46Å |
| 918 | D | 36.3 | Very low | 34.8 | Very low | 62 Ų | 62 | 81.7 Ų | 81.7 | 33% | 0.332 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.1 | -48.2 | 175.3 | -163 | 61 | 0 | 0 | 0 | 111 | A914 L920 F921 N922 | A914-D918 WeakPolarHBondContact O-CB 3.23Å; A914-D918 PolarHBondContact O-N 3.34Å; D918-L920 PolarHBondContact O-N 3.17Å; D918-F921 PolarHBondContact O-N 3.26Å; D918-N922 WeakPolarHBondContact O-CB 3.38Å; D918-N922 PolarHBondContact O-N 2.89Å; D918-N922 WeakPolarHBondContact OD2-CB 3.37Å; D918-N922 PolarHBondContact OD2-ND2 3.22Å |
| 919 | S | 37.7 | Very low | 34.4 | Very low | 98 Ų | 98 | 81.2 Ų | 81.2 | 69% | 0.685 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60 | -20.8 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 114.3 | E915 | E915-S919 WeakPolarHBondContact O-CA 3.34Å; E915-S919 WeakPolarHBondContact O-CB 3.43Å; E915-S919 PolarHBondContact O-N 3.02Å |
| 920 | L | 31.6 | Very low | 34.1 | Very low | 58 Ų | 58 | 86.2 Ų | 86.2 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -78.3 | -20.8 | 174.4 | -88.2 | 168.2 | 0 | 0 | 0 | 113.8 | F916 I917 D918 | F916-L920 HydrophobicContact CD1-CD1 4.19Å; F916-L920 HydrophobicContact CD2-CD1 4.5Å; F916-L920 HydrophobicContact CE1-CD1 3.69Å; F916-L920 HydrophobicContact CE2-CD1 4.04Å; F916-L920 HydrophobicContact CZ-CD1 3.62Å; F916-L920 WeakPolarHBondContact O-CG 3.48Å; F916-L920 PolarHBondContact O-N 2.61Å; I917-L920 PolarHBondContact O-N 3.22Å; D918-L920 PolarHBondContact O-N 3.17Å |
| 921 | F | 34.1 | Very low | 33.9 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 29% | 0.285 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -133.1 | -17.6 | -170.3 | -67.5 | -84.7 | 0 | 0 | 0 | 114.9 | L240 M646 L647 I917 D918 L923 | L240-F921 HydrophobicContact CD1-CD1 3.87Å; L240-F921 HydrophobicContact CD1-CE1 3.61Å; M646-F921 HydrophobicContact CE-CD1 3.58Å; M646-F921 HydrophobicContact CE-CE1 3.86Å; M646-F921 HydrophobicContact CE-CG 4.3Å; L647-F921 HydrophobicContact CD1-CB 3.83Å; L647-F921 HydrophobicContact CD1-CD1 4.45Å; L647-F921 HydrophobicContact CD1-CD2 3.39Å; L647-F921 HydrophobicContact CD1-CE2 4.03Å; L647-F921 HydrophobicContact CD1-CG 3.65Å; I917-F921 WeakPolarHBondContact O-CD2 3.46Å; D918-F921 PolarHBondContact O-N 3.26Å; F921-L923 PolarHBondContact O-N 3.02Å |
| 922 | N | 36.8 | Very low | 33.4 | Very low | 69 Ų | 69 | 91.9 Ų | 91.9 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | trans | -87.8 | 95.3 | -179 | -167.4 | 0.8 | 0 | 0 | 0 | 110.9 | D918 | D918-N922 WeakPolarHBondContact O-CB 3.38Å; D918-N922 PolarHBondContact O-N 2.89Å; D918-N922 WeakPolarHBondContact OD2-CB 3.37Å; D918-N922 PolarHBondContact OD2-ND2 3.22Å | ||
| 923 | L | 33.4 | Very low | 33.1 | Very low | 45 Ų | 45 | 95.9 Ų | 95.9 | 24% | 0.236 | 52% | 0.516 | C | S | . | . | trans | -93.1 | 3.3 | -176.6 | -72.6 | 169.7 | 0 | 0 | 0 | 114.4 | I237 V241 I556 A559 F921 | I237-L923 HydrophobicContact CG2-CD1 4.11Å; I237-L923 HydrophobicContact CG2-CD2 3.84Å; I237-L923 HydrophobicContact CG2-CG 4.47Å; V241-L923 HydrophobicContact CG2-CD1 3.41Å; V241-L923 VanDerWaalsContact CG2-CD1 3.41Å; I556-L923 HydrophobicContact CG2-CD2 4.34Å; A559-L923 HydrophobicContact CB-CD1 4.11Å; F921-L923 PolarHBondContact O-N 3.02Å | ||
| 924 | D | 32 | Very low | 32.7 | Very low | 38 Ų | 38 | 99 Ų | 99 | 20% | 0.203 | 53% | 0.526 | C | S | . | . | trans | -85.9 | 117.4 | 174.8 | -91.1 | -10.7 | 0 | 0 | 0 | 109.9 | K561 K926 | K561-D924 VanDerWaalsContact CE-OD2 3.29Å; K561-D924 WeakPolarHBondContact CE-OD2 3.38Å; K561-D924 IonicContact NZ-OD1 3.42Å; K561-D924 IonicContact NZ-OD2 3.61Å; K561-D924 PolarHBondContact NZ-OD2 2.88Å; D924-K926 PolarHBondContact O-N 3.48Å | ||
| 925 | S | 33.8 | Very low | 32.2 | Very low | 95 Ų | 95 | 102.1 Ų | 102.1 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | trans | -73.4 | 56.7 | 170.8 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 926 | K | 30.8 | Very low | 31.7 | Very low | 165 Ų | 165 | 104.3 Ų | 104.3 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | trans | -113.8 | 71.7 | 163.5 | -79.1 | -161.7 | 172.4 | -167 | 0 | 108.9 | D924 S928 | D924-K926 PolarHBondContact O-N 3.48Å; K926-S928 PolarHBondContact O-N 3.38Å | ||
| 927 | S | 26.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | trans | -64.1 | 82.8 | 155.4 | 55.9 | 0 | 0 | 0 | 0 | 108.7 | S929 | S927-S929 PolarHBondContact O-N 3Š| ||
| 928 | S | 27.6 | Very low | 30.9 | Very low | 106 Ų | 106 | 110.3 Ų | 110.3 | 74% | 0.741 | 60% | 0.601 | S | S | * | * | trans | -62.4 | 97.1 | 156.9 | 50.5 | 0 | 0 | 0 | 0 | 105.9 | K926 | K926-S928 PolarHBondContact O-N 3.38Š| ||
| 929 | S | 29.4 | Very low | 30.5 | Very low | 57 Ų | 57 | 112.9 Ų | 112.9 | 40% | 0.399 | 62% | 0.621 | S | S | . | * | trans | -62.9 | 151.8 | -176.1 | 75.1 | 0 | 0 | 0 | 0 | 108.8 | S927 Q931 D932 | S927-S929 PolarHBondContact O-N 3Å; S929-Q931 PolarHBondContact O-N 3.47Å; S929-Q931 WeakPolarHBondContact OG-CB 3.42Å; S929-Q931 PolarHBondContact OG-N 3.28Å; S929-D932 PolarHBondContact N-OD2 3.46Å; S929-D932 PolarHBondContact O-N 3.44Å; S929-D932 VanDerWaalsContact O-N 3.12Å; S929-D932 PolarHBondContact OG-OD2 3.37Å | ||
| 930 | F | 30.5 | Very low | 29.9 | Very low | 186 Ų | 186 | 117.4 Ų | 117.4 | 82% | 0.816 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -10.1 | 177.6 | -148.8 | -94.7 | 0 | 0 | 0 | 112.8 | ||
| 931 | Q | 31.5 | Very low | 29.6 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -36.1 | 177.7 | -140.3 | 68.8 | 25.3 | 0 | 0 | 113.8 | S929 L933 Y934 | S929-Q931 PolarHBondContact O-N 3.47Å; S929-Q931 WeakPolarHBondContact OG-CB 3.42Å; S929-Q931 PolarHBondContact OG-N 3.28Å; Q931-L933 VanDerWaalsContact C-N 3.26Å; Q931-L933 PolarHBondContact O-N 3.39Å; Q931-Y934 WeakPolarHBondContact O-CB 3.2Å; Q931-Y934 PolarHBondContact O-N 3.48Å; Q931-Y934 VanDerWaalsContact O-N 3.14Å |
| 932 | D | 27.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -72.7 | -21.3 | -169.2 | -62.8 | -58.4 | 0 | 0 | 0 | 112.8 | S929 Y934 | S929-D932 PolarHBondContact N-OD2 3.46Å; S929-D932 PolarHBondContact O-N 3.44Å; S929-D932 VanDerWaalsContact O-N 3.12Å; S929-D932 PolarHBondContact OG-OD2 3.37Å; D932-Y934 PolarHBondContact O-N 3.27Å |
| 933 | L | 30.3 | Very low | 29.1 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -71.9 | -10.5 | 174.8 | -139 | 79.6 | 0 | 0 | 0 | 113.4 | Q931 | Q931-L933 VanDerWaalsContact C-N 3.26Å; Q931-L933 PolarHBondContact O-N 3.39Å |
| 934 | Y | 29.1 | Very low | 28.8 | Very low | 195 Ų | 195 | 129 Ų | 129 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -91.4 | -7.6 | -173.5 | -115.3 | -84.3 | 0 | 0 | 0 | 115 | Q931 D932 | Q931-Y934 WeakPolarHBondContact O-CB 3.2Å; Q931-Y934 PolarHBondContact O-N 3.48Å; Q931-Y934 VanDerWaalsContact O-N 3.14Å; D932-Y934 PolarHBondContact O-N 3.27Å |
| 935 | C | 26.9 | Very low | 28.6 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -106.9 | -2.1 | -170 | -70.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 936 | M | 27.2 | Very low | 28.6 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -128.9 | 27.9 | -171.1 | -73.5 | -120.7 | -69.7 | 0 | 0 | 116.5 | ||
| 937 | V | 29.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -144.7 | 82.8 | 157.1 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 938 | V | 26.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -143.3 | 118.8 | 159.2 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 939 | P | 27.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -81.7 | 142.8 | 168 | 32.8 | -32.3 | 0 | 0 | 0 | 111.1 | ||||
| 940 | E | 26.6 | Very low | 29 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -73.1 | 137.7 | -178.9 | -58.7 | -177.8 | 126.2 | 0 | 0 | 113.3 | ||||
| 941 | S | 24.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -169 | 155.3 | 142.3 | 14.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 942 | P | 34.8 | Very low | 29 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -112.9 | 153.8 | -156.3 | 40.3 | -33.4 | 0 | 0 | 0 | 115.9 | ||||
| 943 | T | 26.8 | Very low | 29.3 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -169 | 169.8 | 138.1 | 7.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 944 | S | 26.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -94 | -178.8 | -172.3 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 945 | D | 27.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | -158.7 | 153.5 | 25.9 | -107.6 | -52 | 0 | 0 | 0 | 114.4 | ||||
| 946 | Y | 33.3 | Very low | 30.6 | Very low | 225 Ų | 225 | 138 Ų | 138 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 52.8 | 169.8 | 157.8 | -77.3 | -80.1 | 0 | 0 | 0 | 122.7 | ||||
| 947 | A | 31.6 | Very low | 31.4 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -154.1 | 155.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 948 | E | 27.4 | Very low | 32.4 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | trans | -160.4 | 163.1 | 154.3 | -125.4 | -179.2 | -165.3 | 0 | 0 | 111.3 | ||||
| 949 | G | 32.3 | Very low | 33 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -138.5 | 138.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 950 | P | 31.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 135 Ų | 135 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 156.9 | -167.8 | 33.1 | -36.4 | 0 | 0 | 0 | 115.2 | ||
| 951 | K | 29 | Very low | 34.5 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 165.6 | 178.2 | -64.2 | 169 | -177 | 167 | 0 | 111.5 | ||
| 952 | S | 33 | Very low | 35.4 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 150.9 | -178.2 | 55 | 0 | 0 | 0 | 0 | 114.4 | ||
| 953 | P | 34.9 | Very low | 35.5 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 172.4 | 180 | 32.3 | -36.2 | 0 | 0 | 0 | 114.2 | E957 | P953-E957 VanDerWaalsContact CB-OE2 3.29Å; P953-E957 WeakPolarHBondContact CB-OE2 3.4Å |
| 954 | S | 38.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | trans | -108.4 | 165.9 | -169.6 | 71.4 | 0 | 0 | 0 | 0 | 114.4 | Q956 E957 | S954-Q956 PolarHBondContact O-N 3.05Å; S954-E957 PolarHBondContact O-N 3.42Å | ||
| 955 | Q | 36.6 | Very low | 36.6 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -16.6 | -171.9 | -70 | 176.6 | -53 | 0 | 0 | 115.5 | E957 I958 | Q955-E957 VanDerWaalsContact C-N 3.34Å; Q955-E957 PolarHBondContact O-N 3.42Å; Q955-I958 WeakPolarHBondContact O-CB 3.39Å; Q955-I958 PolarHBondContact O-N 3.02Å |
| 956 | Q | 37.4 | Very low | 36.8 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -72.4 | -26.3 | -174.6 | -158.3 | 162.8 | -0.5 | 0 | 0 | 112.9 | S954 I958 | S954-Q956 PolarHBondContact O-N 3.05Å; Q956-I958 VanDerWaalsContact C-N 3.33Å |
| 957 | E | 44.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 54% | 0.542 | 74% | 0.743 | S | S | . | * | H | α-helix | trans | -73.3 | -24.1 | 171.8 | -65.5 | -170 | 117.1 | 0 | 0 | 113.1 | P953 S954 Q955 | P953-E957 VanDerWaalsContact CB-OE2 3.29Å; P953-E957 WeakPolarHBondContact CB-OE2 3.4Å; S954-E957 PolarHBondContact O-N 3.42Å; Q955-E957 VanDerWaalsContact C-N 3.34Å; Q955-E957 PolarHBondContact O-N 3.42Å |
| 958 | I | 51.4 | Low | 36.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 62% | 0.621 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -71 | -39.8 | -177 | -56.1 | 179.9 | 0 | 0 | 0 | 110.3 | Q955 Q956 L960 R961 | Q955-I958 WeakPolarHBondContact O-CB 3.39Å; Q955-I958 PolarHBondContact O-N 3.02Å; Q956-I958 VanDerWaalsContact C-N 3.33Å; I958-L960 PolarHBondContact O-N 2.58Å; I958-R961 PolarHBondContact O-N 3.11Å |
| 959 | L | 38.9 | Very low | 36.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -70 | -30.3 | -179 | -75.2 | 166.5 | 0 | 0 | 0 | 113.4 | R961 A962 | L959-R961 VanDerWaalsContact C-N 3.3Å; L959-R961 PolarHBondContact O-N 3.47Å; L959-A962 PolarHBondContact O-N 3.2Å |
| 960 | L | 41 | Very low | 36.6 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -70.7 | -23.6 | 177.3 | -78.3 | 166.6 | 0 | 0 | 0 | 113.4 | I958 A962 | I958-L960 PolarHBondContact O-N 2.58Å; L960-A962 VanDerWaalsContact C-N 3.3Å; L960-A962 PolarHBondContact O-N 3.45Å |
| 961 | R | 43.7 | Very low | 36.4 | Very low | 217 Ų | 217 | 143.8 Ų | 143.8 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -74.1 | -15.4 | 174.3 | -94.3 | -173.1 | 168.9 | 96.6 | -2 | 114.2 | I958 L959 Q963 | I958-R961 PolarHBondContact O-N 3.11Å; L959-R961 VanDerWaalsContact C-N 3.3Å; L959-R961 PolarHBondContact O-N 3.47Å; R961-Q963 PolarHBondContact O-N 3.37Å |
| 962 | A | 42.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -85.6 | 0.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L959 L960 | L959-A962 PolarHBondContact O-N 3.2Å; L960-A962 VanDerWaalsContact C-N 3.3Å; L960-A962 PolarHBondContact O-N 3.45Å |
| 963 | Q | 38.3 | Very low | 36.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -100.6 | -4.9 | -173.5 | -69.2 | -170.7 | -21.5 | 0 | 0 | 115.4 | R961 | R961-Q963 PolarHBondContact O-N 3.37Š|
| 964 | F | 40.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -128.5 | 70.9 | -174.3 | -70.1 | -85 | 0 | 0 | 0 | 112.9 | ||
| 965 | E | 35.8 | Very low | 35.4 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 174.2 | 101.5 | 146.3 | -101.9 | 170.3 | -151.1 | 0 | 0 | 111.7 | ||||
| 966 | P | 30.4 | Very low | 35 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -100.4 | 136.4 | 173.2 | 35.2 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 967 | N | 30.9 | Very low | 34.5 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 79.1 | 98 | 168.4 | -47.4 | -63.5 | 0 | 0 | 0 | 118.1 | ||||
| 968 | L | 29.9 | Very low | 33.6 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -123 | 112.5 | 156.9 | -87.8 | 165 | 0 | 0 | 0 | 109.8 | ||||
| 969 | V | 28.1 | Very low | 32.4 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -134.4 | 123.1 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 970 | P | 31.2 | Very low | 31.8 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -78.9 | 152.3 | -169.4 | 31.1 | -35.6 | 0 | 0 | 0 | 113.4 | ||||
| 971 | K | 27.4 | Very low | 31.2 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -121.8 | 143.5 | 166.1 | -77.6 | -178.4 | 176.4 | 174.8 | 0 | 110.5 | ||||
| 972 | P | 28.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 161.3 | -173.5 | 30.7 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 973 | P | 30.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73 | 154.8 | -173.1 | 30.4 | -36.7 | 0 | 0 | 0 | 113.6 | ||
| 974 | R | 28.2 | Very low | 29.9 | Very low | 238 Ų | 238 | 140.4 Ų | 140.4 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -104 | 143 | 168.2 | -76.7 | -176.1 | 171.6 | 177.1 | -3.7 | 111 | ||
| 975 | L | 27.9 | Very low | 29.3 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 155 | 172.1 | -66.3 | 137.5 | 0 | 0 | 0 | 110.8 | ||
| 976 | F | 28.2 | Very low | 29 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -122.9 | 122.1 | 162.6 | -94 | -84.1 | 0 | 0 | 0 | 110.2 | ||||
| 977 | A | 27.4 | Very low | 28.8 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 157.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 978 | G | 25 | Very low | 28.6 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | cis | 121.4 | 102.1 | 13.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 979 | S | 27.1 | Very low | 28.5 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -151 | 110.9 | 179.8 | -162.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 980 | A | 26.6 | Very low | 28.8 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 60% | 0.603 | 80% | 0.798 | S | S | * | * | trans | -75.4 | -172.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 981 | D | 27.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -171.3 | -173.9 | 23.5 | -128.2 | -25.5 | 0 | 0 | 0 | 105.7 | ||||
| 982 | P | 42.4 | Very low | 28.6 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | cis | -137.6 | -174.1 | -13.6 | 36.1 | -15.9 | 0 | 0 | 0 | 115.2 | ||||
| 983 | S | 26.2 | Very low | 28.9 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 80.2 | 142.1 | 148.9 | 75.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 984 | S | 28.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | cis | -174.1 | 147.3 | -17.1 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 985 | G | 27 | Very low | 28.7 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 134.5 | 107.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 986 | I | 29.6 | Very low | 28.8 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 69.8 | 120.1 | 70 | -61.3 | 168.9 | 0 | 0 | 0 | 111.1 | |||||
| 987 | S | 27.6 | Very low | 29 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -158.7 | 157.3 | -2.4 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 988 | L | 27.2 | Very low | 29 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -35.4 | 152 | 164.5 | -63.6 | 159.5 | 0 | 0 | 0 | 117.2 | ||||
| 989 | S | 27.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -99.1 | 153.5 | 168.2 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 990 | P | 33.7 | Very low | 29.5 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -90.4 | 145.8 | 179.2 | 34.9 | -33.9 | 0 | 0 | 0 | 113.3 | ||||
| 991 | S | 27.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -114.2 | 143.4 | 170.4 | 56.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 992 | F | 27.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -133.9 | 154.9 | 167 | -91.1 | -86.8 | 0 | 0 | 0 | 111.5 | ||||
| 993 | P | 34.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -104.5 | 178.4 | -155.4 | 40.8 | -36.6 | 0 | 0 | 0 | 115.5 | ||||
| 994 | L | 28 | Very low | 29 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 158.5 | 175.3 | -63.1 | 160.5 | 0 | 0 | 0 | 113.5 | ||||
| 995 | S | 26.5 | Very low | 30 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -136.4 | 156.2 | 161 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 996 | S | 29.1 | Very low | 30 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 138.7 | -160.6 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 997 | S | 33.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 53.1 | 125 | 143.6 | 62.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 998 | G | 28 | Very low | 29.9 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 176.9 | 73 | 166 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 999 | E | 32 | Very low | 29.8 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 145.5 | 166 | -65.8 | -174.6 | 130.6 | 0 | 0 | 110.8 | ||||
| 1000 | L | 30.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 159.9 | 161.2 | 109.5 | -157.5 | 66.9 | 0 | 0 | 0 | 111.1 | |||||
| 1001 | M | 29.1 | Very low | 29.8 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | 76.4 | 138.2 | 167 | -46.5 | -56.8 | -74.6 | 0 | 0 | 117.3 | ||||
| 1002 | D | 27.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -163 | 166.2 | -26.1 | -140.8 | -8.1 | 0 | 0 | 0 | 113.3 | ||||
| 1003 | L | 27.4 | Very low | 29.9 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 45.2 | 98.8 | 148.7 | -73.3 | 164.7 | 0 | 0 | 0 | 123 | ||||
| 1004 | T | 28.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | 60.1 | 157 | 121.9 | 49.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1005 | P | 48 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -106.2 | 160.9 | -156.8 | 40.4 | -35.5 | 0 | 0 | 0 | 116.8 | ||||
| 1006 | T | 28.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -131.6 | 153 | 159.9 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1007 | G | 27.2 | Very low | 30.2 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -128.1 | -170.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1008 | L | 28.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 97% | 0.969 | 75% | 0.748 | S | S | * | * | trans | 75 | 144.5 | -166.9 | -52 | 158.7 | 0 | 0 | 0 | 112.2 | ||||
| 1009 | S | 24.9 | Very low | 30.5 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | cis | -141.8 | 167 | 0.6 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1010 | S | 28.9 | Very low | 30.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 159.1 | 166.9 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1011 | Q | 30.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | 156.8 | 130.8 | 107.8 | -173.1 | 160.5 | -2.6 | 0 | 0 | 113.4 | |||||
| 1012 | E | 30 | Very low | 30.4 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 65.3 | 152.7 | 154.6 | -81.6 | 167.1 | -139.2 | 0 | 0 | 120.8 | ||||
| 1013 | C | 28.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 129 Ų | 129 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -161.4 | 162.1 | -18.2 | -146.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1014 | L | 30.9 | Very low | 31.8 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | 64.2 | 151.7 | 164.3 | -56.6 | 171.4 | 0 | 0 | 0 | 116.6 | ||||
| 1015 | A | 31.7 | Very low | 31.9 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -172.4 | 160 | -13.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1016 | A | 31.2 | Very low | 31.1 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | cis | -168.3 | 173.4 | -16.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1017 | D | 31 | Very low | 31.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | 65.4 | 139.5 | 159.5 | -74.4 | 5 | 0 | 0 | 0 | 119.9 | ||||
| 1018 | K | 33.5 | Very low | 31.4 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | cis | -167.3 | 144.2 | 4.8 | -122.5 | 166.9 | -176.7 | 135.5 | 0 | 112.6 | ||||
| 1019 | I | 32.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 67% | 0.672 | 75% | 0.752 | S | S | * | * | trans | 63.6 | 140.1 | 138.5 | -75.5 | 171.8 | 0 | 0 | 0 | 118.4 | ||||
| 1020 | R | 30.6 | Very low | 32 | Very low | 218 Ų | 218 | 126 Ų | 126 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | cis | -154.5 | 171 | 2.8 | -134 | 176.8 | -172.9 | 138.9 | -1.2 | 112.6 | ||||
| 1021 | T | 30 | Very low | 33.1 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -77.3 | 154.8 | 164.9 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1022 | S | 29.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 175.5 | 155.5 | 119.6 | 46.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1023 | T | 31.2 | Very low | 33.3 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -92.7 | -164 | 165.6 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1024 | P | 53.2 | Low | 33.6 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -135.9 | -160.8 | -13 | 34.2 | -11 | 0 | 0 | 0 | 113.6 | ||||
| 1025 | T | 31.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 71.6 | 152.9 | 158.9 | 64.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1026 | G | 29.6 | Very low | 33.8 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | cis | 161.1 | 139.7 | -13.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1027 | H | 32.5 | Very low | 33.8 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 98% | 0.981 | 79% | 0.786 | S | S | * | * | trans | 64.7 | 157.5 | 168 | -69.3 | -72.8 | 0 | 0 | 0 | 120.7 | ||||
| 1028 | G | 30.1 | Very low | 33.8 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 118.7 | 66.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1029 | A | 31.1 | Very low | 33.8 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | 76.6 | 114.2 | 79.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1030 | S | 34.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -74.7 | 176 | 166.5 | -126 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1031 | P | 51.5 | Low | 33.8 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -148.2 | 170.6 | 30.7 | 43.2 | -22.6 | 0 | 0 | 0 | 120.1 | ||||
| 1032 | A | 33.1 | Very low | 34 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 55.8 | 123.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1033 | K | 31.3 | Very low | 34.2 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | -162.1 | 172.3 | 110 | -113 | 176.8 | 179 | -174.6 | 0 | 113.4 | |||||
| 1034 | Q | 34.8 | Very low | 34.4 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -83.1 | 159.6 | 177.1 | -58.9 | 152.3 | -88.3 | 0 | 0 | 111.1 | ||||
| 1035 | D | 33.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | trans | -157.5 | 159.2 | 135.6 | -100.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 1036 | E | 34.1 | Very low | 33.4 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -96.9 | 157.9 | 179.5 | -60.9 | 176.1 | 115.6 | 0 | 0 | 111.6 | ||||
| 1037 | L | 32 | Very low | 33.7 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | 173 | 134.3 | 120.2 | -110.3 | 79 | 0 | 0 | 0 | 114.4 | |||||
| 1038 | V | 31.1 | Very low | 33.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 67% | 0.673 | 83% | 0.828 | S | S | * | * | trans | 63.7 | 101.2 | 135.7 | 176.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1039 | I | 32.8 | Very low | 34 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | 40.1 | 116.7 | 119.5 | -50.3 | 159.9 | 0 | 0 | 0 | 118.7 | |||||
| 1040 | S | 29.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 153.8 Ų | 153.8 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | -171.3 | 164.5 | 102.7 | -157.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1041 | A | 33.8 | Very low | 34.2 | Very low | 92 Ų | 92 | 157 Ų | 157 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -80.1 | 147 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1042 | R | 32.7 | Very low | 32.6 | Very low | 322 Ų | 322 | 160.8 Ų | 160.8 | 100% | 1.215 | 84% | 0.842 | S | S | * | * | -152 | 0 | 115 | -128.5 | 177.7 | -174.4 | 174.9 | 1.6 | 112.5 |
Retrieved 1,042 of 1,042 residues in 360.9 ms
(Link to these results)