| 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 | 70.1 | Confident | 93.2 | Very high | 101 Ų | 101 | 21.5 Ų | 21.5 | 50% | 0.498 | 12% | 0.12 | S | C | . | . | 0 | 129.2 | 0 | -174 | 171.4 | -73 | 0 | 0 | 108.3 | D139 S384 | M1-D139 HydrophobicContact CG-CB 4.17Å; M1-D139 HydrophobicContact SD-CB 4.48Å; M1-S384 PolarHBondContact SD-OG 3.4Å | |||
| 2 | S | 85 | Confident | 93.4 | Very high | 13 Ų | 13 | 22 Ų | 22 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | trans | -96.2 | 140.7 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 108 | P136 | S2-P136 PolarHBondContact OG-O 3.49Š| ||
| 3 | V | 92.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | trans | -97.7 | 113.9 | 175.9 | 166 | 0 | 0 | 0 | 0 | 108.1 | V17 A18 A377 C380 A381 F387 | V3-V17 WeakPolarHBondContact O-CA 3.36Å; V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.83Å; V3-A18 PolarHBondContact O-N 3.47Å; V3-A377 WeakPolarHBondContact CG1-O 3.37Å; V3-C380 HydrophobicContact CG1-CB 4.03Å; V3-A381 HydrophobicContact CG1-CB 3.96Å; V3-A381 HydrophobicContact CG2-CB 4.41Å; V3-F387 HydrophobicContact CB-CE2 4.38Å; V3-F387 HydrophobicContact CG2-CD2 3.44Å; V3-F387 VanDerWaalsContact CG2-CD2 3.44Å; V3-F387 HydrophobicContact CG2-CE2 3.52Å; V3-F387 HydrophobicContact CG2-CG 4Å; V3-F387 HydrophobicContact CG2-CZ 4.13Å | ||
| 4 | V | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.3 | -177 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L6 I15 A16 V17 A129 L133 V137 C140 V141 C380 | V4-L6 HydrophobicContact CG1-CD2 3.69Å; V4-L6 HydrophobicContact CG1-CG 4.18Å; V4-I15 HydrophobicContact CG1-CG2 3.97Å; V4-A16 WeakPolarHBondContact CA-O 3.41Å; V4-V17 HydrophobicContact CG2-CG1 4.37Å; V4-A129 HydrophobicContact CG1-CB 4.2Å; V4-A129 HydrophobicContact CG2-CB 4.3Å; V4-L133 HydrophobicContact CG2-CD1 4.09Å; V4-V137 HydrophobicContact CB-CG1 4.21Å; V4-V137 HydrophobicContact CG2-CB 4.47Å; V4-V137 HydrophobicContact CG2-CG1 3.69Å; V4-V137 HydrophobicContact CG2-CG2 3.85Å; V4-C140 HydrophobicContact CB-CB 4.37Å; V4-C140 VanDerWaalsContact O-CA 3.3Å; V4-C140 WeakPolarHBondContact O-CA 3.23Å; V4-V141 PolarHBondContact O-N 3.25Å; V4-C380 PolarHBondContact N-SG 2.76Å; V4-C380 VanDerWaalsContact N-SG 3.45Å |
| 5 | G | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A16 | G5-A16 PolarHBondContact N-O 3.28Å; G5-A16 PolarHBondContact O-N 2.77Å |
| 6 | L | 98.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.2 | 176.8 | -58.6 | -176.7 | 0 | 0 | 0 | 109 | V4 V8 I15 L122 L125 V141 I142 S143 L165 | V4-L6 HydrophobicContact CG1-CD2 3.69Å; V4-L6 HydrophobicContact CG1-CG 4.18Å; L6-V8 HydrophobicContact CB-CG2 4.11Å; L6-I15 HydrophobicContact CD2-CB 4.39Å; L6-I15 HydrophobicContact CD2-CG1 3.93Å; L6-I15 HydrophobicContact CD2-CG2 3.97Å; L6-L122 HydrophobicContact CD1-CD2 3.84Å; L6-L125 HydrophobicContact CD1-CB 4.45Å; L6-L125 HydrophobicContact CD2-CB 4.03Å; L6-L125 HydrophobicContact CD2-CD1 4.42Å; L6-V141 PolarHBondContact N-O 3.43Å; L6-I142 HydrophobicContact CB-CG1 4.43Å; L6-I142 HydrophobicContact CD1-CG1 4.33Å; L6-I142 WeakPolarHBondContact O-CA 3.31Å; L6-S143 PolarHBondContact O-N 3.02Å; L6-L165 HydrophobicContact CD1-CD1 4.3Å |
| 7 | D | 98.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 17.8 Ų | 17.8 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.3 | 157.2 | -179.6 | 33.3 | 0 | 0 | 0 | 109 | C13 Y14 S143 V372 A373 | D7-C13 CarbonylContact O-C 3.51Å; D7-C13 WeakPolarHBondContact O-CA 3.44Å; D7-C13 VanDerWaalsContact O-CB 3.25Å; D7-C13 WeakPolarHBondContact O-CB 3.5Å; D7-Y14 PolarHBondContact N-O 2.87Å; D7-Y14 PolarHBondContact O-N 3.34Å; D7-S143 WeakPolarHBondContact CA-OG 3.26Å; D7-S143 WeakPolarHBondContact OD1-CB 3.36Å; D7-S143 PolarHBondContact OD1-OG 3.32Å; D7-V372 HydrophobicContact CB-CB 4.03Å; D7-V372 HydrophobicContact CB-CG1 3.9Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.05Å; D7-A373 HydrophobicContact CB-CB 3.84Å |
| 8 | V | 97.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 72.9 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | L6 K68 L121 L122 L125 I142 S143 | L6-V8 HydrophobicContact CB-CG2 4.11Å; V8-K68 WeakPolarHBondContact O-CD 3.32Å; V8-K68 WeakPolarHBondContact O-CE 3.43Å; V8-K68 PolarHBondContact O-NZ 3.18Å; V8-L121 HydrophobicContact CG1-CD2 4.12Å; V8-L122 HydrophobicContact CG2-CD2 4.06Å; V8-L125 HydrophobicContact CG2-CD1 4.02Å; V8-I142 HydrophobicContact CG2-CG2 3.8Å; V8-S143 PolarHBondContact N-OG 2.88Å |
| 9 | G | 95.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | trans | -71.7 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q11 S12 S37 | G9-Q11 VanDerWaalsContact C-N 3.27Å; G9-Q11 PolarHBondContact O-N 3.23Å; G9-S12 CarbonylContact C-O 3.5Å; G9-S12 WeakPolarHBondContact CA-O 3.43Å; G9-S12 PolarHBondContact N-O 3.03Å; G9-S12 VanDerWaalsContact N-O 3.12Å; G9-S37 WeakPolarHBondContact O-CB 3.03Å; G9-S37 PolarHBondContact O-OG 3.15Å | ||
| 10 | S | 95 | Very high | 93.7 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -72.1 | -16.8 | -177.4 | -51.2 | 0 | 0 | 0 | 0 | 114.7 | S206 | S10-S206 WeakPolarHBondContact CB-OG 3.41Å; S10-S206 PolarHBondContact OG-OG 3.47Å |
| 11 | Q | 96.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 30.3 Ų | 30.3 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -125.5 | -36.3 | -179 | 179.4 | -177.3 | 25.5 | 0 | 0 | 112.4 | G9 P36 S37 H205 E271 | G9-Q11 VanDerWaalsContact C-N 3.27Å; G9-Q11 PolarHBondContact O-N 3.23Å; Q11-P36 WeakPolarHBondContact O-CA 3.31Å; Q11-S37 VanDerWaalsContact C-OG 3.22Å; Q11-S37 PolarHBondContact O-N 3.2Å; Q11-H205 HydrophobicContact CB-CB 3.65Å; Q11-H205 PolarHBondContact OE1-ND1 3.03Å; Q11-E271 PolarHBondContact NE2-OE1 3.38Å; Q11-E271 PolarHBondContact NE2-OE2 3.26Å |
| 12 | S | 96.2 | Very high | 94.1 | Very high | 28 Ų | 28 | 27 Ų | 27 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146 | -175.8 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | G9 C34 S37 | G9-S12 CarbonylContact C-O 3.5Å; G9-S12 WeakPolarHBondContact CA-O 3.43Å; G9-S12 PolarHBondContact N-O 3.03Å; G9-S12 VanDerWaalsContact N-O 3.12Å; S12-C34 WeakPolarHBondContact CB-SG 3.37Å; S12-C34 PolarHBondContact OG-SG 3.48Å; S12-S37 PolarHBondContact N-OG 3.29Å; S12-S37 VanDerWaalsContact N-OG 3.14Å |
| 13 | C | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.1 | 172.6 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | D7 T35 S37 L125 | D7-C13 CarbonylContact O-C 3.51Å; D7-C13 WeakPolarHBondContact O-CA 3.44Å; D7-C13 VanDerWaalsContact O-CB 3.25Å; D7-C13 WeakPolarHBondContact O-CB 3.5Å; C13-T35 PolarHBondContact N-O 3.05Å; C13-T35 PolarHBondContact O-N 3.44Å; C13-S37 PolarHBondContact SG-OG 2.53Å; C13-S37 VanDerWaalsContact SG-OG 3.33Å; C13-L125 HydrophobicContact CB-CD1 3.83Å; C13-L125 HydrophobicContact CB-CD2 3.69Å; C13-L125 HydrophobicContact CB-CG 4.39Å |
| 14 | Y | 98.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.1 | 174.3 | -63.5 | -85.1 | 0 | 0 | 0 | 109.8 | D7 R33 C34 D369 A373 | D7-Y14 PolarHBondContact N-O 2.87Å; D7-Y14 PolarHBondContact O-N 3.34Å; Y14-R33 WeakPolarHBondContact CD1-O 3.31Å; Y14-C34 HydrophobicContact CE1-CB 3.67Å; Y14-D369 HydrophobicContact CE1-CB 4.09Å; Y14-D369 HydrophobicContact CE2-CB 4.04Å; Y14-A373 WeakPolarHBondContact O-CB 3.39Å |
| 15 | I | 98.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.6 | 179.8 | -54.1 | 162 | 0 | 0 | 0 | 108.2 | V4 L6 V17 T25 I26 L125 T128 A129 | V4-I15 HydrophobicContact CG1-CG2 3.97Å; L6-I15 HydrophobicContact CD2-CB 4.39Å; L6-I15 HydrophobicContact CD2-CG1 3.93Å; L6-I15 HydrophobicContact CD2-CG2 3.97Å; I15-V17 HydrophobicContact CG2-CG1 4.38Å; I15-T25 CarbonylContact O-C 3.53Å; I15-T25 VanDerWaalsContact O-CA 3.23Å; I15-T25 WeakPolarHBondContact O-CA 3.34Å; I15-I26 HydrophobicContact CB-CD1 4.03Å; I15-I26 HydrophobicContact CB-CG1 3.7Å; I15-I26 HydrophobicContact CD1-CD1 4.33Å; I15-I26 HydrophobicContact CG2-CD1 3.64Å; I15-I26 HydrophobicContact CG2-CG1 3.74Å; I15-I26 PolarHBondContact O-N 2.8Å; I15-L125 HydrophobicContact CD1-CB 4.08Å; I15-L125 HydrophobicContact CD1-CD2 3.85Å; I15-L125 WeakPolarHBondContact CD1-O 3.27Å; I15-L125 HydrophobicContact CG1-CB 4.29Å; I15-L125 HydrophobicContact CG1-CD2 3.99Å; I15-T128 HydrophobicContact CD1-CG2 3.57Å; I15-A129 HydrophobicContact CG2-CB 4.22Å |
| 16 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V4 G5 I23 E24 T25 A373 R374 A377 | V4-A16 WeakPolarHBondContact CA-O 3.41Å; G5-A16 PolarHBondContact N-O 3.28Å; G5-A16 PolarHBondContact O-N 2.77Å; A16-I23 HydrophobicContact CB-CG2 4.06Å; A16-E24 CarbonylContact C-O 3.54Å; A16-E24 WeakPolarHBondContact CA-O 3.49Å; A16-E24 WeakPolarHBondContact CB-O 3.46Å; A16-T25 HydrophobicContact CB-CG2 3.94Å; A16-A373 HydrophobicContact CB-CB 3.99Å; A16-A373 WeakPolarHBondContact CB-O 3.2Å; A16-R374 HydrophobicContact CB-CG 4.42Å; A16-A377 HydrophobicContact CB-CB 3.67Å |
| 17 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 162.3 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | V3 V4 I15 I23 E24 I26 L133 | V3-V17 WeakPolarHBondContact O-CA 3.36Å; V4-V17 HydrophobicContact CG2-CG1 4.37Å; I15-V17 HydrophobicContact CG2-CG1 4.38Å; V17-I23 WeakPolarHBondContact O-CA 3.32Å; V17-E24 HydrophobicContact CG2-CG 4.01Å; V17-E24 PolarHBondContact N-O 3.26Å; V17-E24 PolarHBondContact O-N 3.43Å; V17-I26 HydrophobicContact CB-CG2 4.4Å; V17-I26 HydrophobicContact CG1-CD1 4.25Å; V17-I26 HydrophobicContact CG1-CG2 4.02Å; V17-I26 HydrophobicContact CG2-CG2 3.54Å; V17-L133 HydrophobicContact CB-CD1 4.43Å; V17-L133 HydrophobicContact CB-CD2 4.04Å; V17-L133 HydrophobicContact CG1-CD1 4.08Å; V17-L133 HydrophobicContact CG1-CD2 4.29Å; V17-L133 HydrophobicContact CG1-CG 4.27Å; V17-L133 HydrophobicContact CG2-CD2 3.93Å |
| 18 | A | 92.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V3 G22 I23 F387 | V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.83Å; V3-A18 PolarHBondContact O-N 3.47Å; A18-G22 WeakPolarHBondContact CA-O 3.36Å; A18-I23 HydrophobicContact CB-CD1 3.77Å; A18-F387 HydrophobicContact CB-CD1 4.3Å; A18-F387 HydrophobicContact CB-CE1 3.77Å; A18-F387 HydrophobicContact CB-CZ 4.22Å |
| 19 | R | 87.1 | Confident | 94.4 | Very high | 109 Ų | 109 | 36.6 Ų | 36.6 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.1 | 174.6 | -167.2 | -175 | -64.6 | -106.4 | -4.1 | 109.8 | G21 G22 E24 N132 | R19-G21 PolarHBondContact O-N 3.39Å; R19-G22 PolarHBondContact N-O 3Å; R19-G22 CarbonylContact O-C 3.43Å; R19-G22 PolarHBondContact O-N 2.94Å; R19-G22 VanDerWaalsContact O-O 3.1Å; R19-E24 HydrophobicContact CB-CG 3.99Å; R19-E24 WeakPolarHBondContact CD-OE1 3.47Å; R19-E24 WeakPolarHBondContact CD-OE2 3.12Å; R19-E24 IonicContact CZ-OE1 3.05Å; R19-E24 IonicContact NE-OE1 2.78Å; R19-E24 PolarHBondContact NE-OE1 2.91Å; R19-E24 IonicContact NE-OE2 2.76Å; R19-E24 IonicContact NH2-OE1 3.69Å; R19-N132 PolarHBondContact NH2-O 2.92Å; R19-N132 VanDerWaalsContact NH2-O 3.16Å; R19-N132 PolarHBondContact NH2-OD1 3.05Å |
| 20 | A | 82.6 | Confident | 94.3 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 92% | 0.917 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | G22 | A20-G22 VanDerWaalsContact C-N 3.33Š|
| 21 | G | 81.9 | Confident | 94.4 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 97% | 0.969 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | R19 | R19-G21 PolarHBondContact O-N 3.39Š|
| 22 | G | 89.7 | Confident | 94.4 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -176.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 R19 A20 | A18-G22 WeakPolarHBondContact CA-O 3.36Å; R19-G22 PolarHBondContact N-O 3Å; R19-G22 CarbonylContact O-C 3.43Å; R19-G22 PolarHBondContact O-N 2.94Å; R19-G22 VanDerWaalsContact O-O 3.1Å; A20-G22 VanDerWaalsContact C-N 3.33Å |
| 23 | I | 94.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 51 Ų | 51 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.5 | 170.5 | -60.7 | -56.9 | 0 | 0 | 0 | 108.8 | A16 V17 A18 R374 A377 L378 | A16-I23 HydrophobicContact CB-CG2 4.06Å; V17-I23 WeakPolarHBondContact O-CA 3.32Å; A18-I23 HydrophobicContact CB-CD1 3.77Å; I23-R374 HydrophobicContact CG2-CB 4.26Å; I23-R374 HydrophobicContact CG2-CG 4.29Å; I23-R374 PolarHBondContact O-NH1 2.89Å; I23-A377 HydrophobicContact CD1-CB 4.25Å; I23-A377 HydrophobicContact CG2-CB 3.66Å; I23-L378 HydrophobicContact CG1-CD2 3.62Å; I23-L378 HydrophobicContact CG1-CG 3.91Å |
| 24 | E | 95.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.5 | 179.9 | 58.5 | 171.1 | -139.4 | 0 | 0 | 110.9 | A16 V17 R19 | A16-E24 CarbonylContact C-O 3.54Å; A16-E24 WeakPolarHBondContact CA-O 3.49Å; A16-E24 WeakPolarHBondContact CB-O 3.46Å; V17-E24 HydrophobicContact CG2-CG 4.01Å; V17-E24 PolarHBondContact N-O 3.26Å; V17-E24 PolarHBondContact O-N 3.43Å; R19-E24 HydrophobicContact CB-CG 3.99Å; R19-E24 WeakPolarHBondContact CD-OE1 3.47Å; R19-E24 WeakPolarHBondContact CD-OE2 3.12Å; R19-E24 IonicContact CZ-OE1 3.05Å; R19-E24 IonicContact NE-OE1 2.78Å; R19-E24 PolarHBondContact NE-OE1 2.91Å; R19-E24 IonicContact NE-OE2 2.76Å; R19-E24 IonicContact NH2-OE1 3.69Å |
| 25 | T | 97.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.2 | 168.3 | 41.5 | 0 | 0 | 0 | 0 | 111 | I15 A16 E370 A373 R374 | I15-T25 CarbonylContact O-C 3.53Å; I15-T25 VanDerWaalsContact O-CA 3.23Å; I15-T25 WeakPolarHBondContact O-CA 3.34Å; A16-T25 HydrophobicContact CB-CG2 3.94Å; T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.81Å; T25-E370 PolarHBondContact OG1-OE1 3.3Å; T25-E370 PolarHBondContact OG1-OE2 2.93Å; T25-A373 HydrophobicContact CG2-CB 4.39Å; T25-R374 HydrophobicContact CG2-CG 4.09Å |
| 26 | I | 97.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 159.3 | -173.2 | 64.7 | 165.8 | 0 | 0 | 0 | 111.7 | I15 V17 T128 A129 N132 | I15-I26 HydrophobicContact CB-CD1 4.03Å; I15-I26 HydrophobicContact CB-CG1 3.7Å; I15-I26 HydrophobicContact CD1-CD1 4.33Å; I15-I26 HydrophobicContact CG2-CD1 3.64Å; I15-I26 HydrophobicContact CG2-CG1 3.74Å; I15-I26 PolarHBondContact O-N 2.8Å; V17-I26 HydrophobicContact CB-CG2 4.4Å; V17-I26 HydrophobicContact CG1-CD1 4.25Å; V17-I26 HydrophobicContact CG1-CG2 4.02Å; V17-I26 HydrophobicContact CG2-CG2 3.54Å; I26-T128 HydrophobicContact CD1-CG2 4.04Å; I26-A129 HydrophobicContact CD1-CB 4.35Å; I26-N132 HydrophobicContact CB-CB 4.42Å; I26-N132 HydrophobicContact CD1-CB 3.65Å; I26-N132 WeakPolarHBondContact CG2-OD1 3.12Å |
| 27 | A | 97.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -93 | 153.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S31 D32 | A27-S31 WeakPolarHBondContact CB-O 3.15Å; A27-D32 CarbonylContact C-O 3.58Å; A27-D32 VanDerWaalsContact CA-O 3.28Å; A27-D32 WeakPolarHBondContact CA-O 3.3Å |
| 28 | N | 96.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | trans | -83.2 | -176.8 | 167.4 | 66.7 | 35 | 0 | 0 | 0 | 111.8 | F30 S31 D32 C34 T35 T128 | N28-F30 PolarHBondContact O-N 3.46Å; N28-F30 VanDerWaalsContact O-N 3.15Å; N28-F30 WeakPolarHBondContact OD1-CA 3.44Å; N28-F30 WeakPolarHBondContact OD1-CB 3.36Å; N28-F30 PolarHBondContact OD1-N 3.39Å; N28-S31 PolarHBondContact O-N 3.5Å; N28-D32 PolarHBondContact N-O 2.85Å; N28-D32 PolarHBondContact ND2-O 2.93Å; N28-D32 PolarHBondContact OD1-N 2.85Å; N28-D32 PolarHBondContact OD1-O 3.17Å; N28-C34 PolarHBondContact ND2-O 3.29Å; N28-C34 VanDerWaalsContact ND2-O 3.09Å; N28-T35 PolarHBondContact ND2-OG1 2.96Å; N28-T128 HydrophobicContact CB-CG2 4.07Å | ||
| 29 | E | 94.4 | Very high | 94.6 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.6 | -177.9 | 67.1 | -79.1 | -176.4 | 0 | 0 | 115.1 | S31 K124 | E29-S31 VanDerWaalsContact C-N 3.32Å; E29-K124 WeakPolarHBondContact OE1-CE 3.33Å; E29-K124 IonicContact OE1-NZ 3.66Å; E29-K124 PolarHBondContact OE1-NZ 2.91Å; E29-K124 IonicContact OE2-NZ 2.7Å; E29-K124 PolarHBondContact OE2-NZ 3.26Å |
| 30 | F | 94.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 46 Ų | 46 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 7.8 | 172.9 | -63.1 | -91.7 | 0 | 0 | 0 | 112.6 | N28 D32 V50 | N28-F30 PolarHBondContact O-N 3.46Å; N28-F30 VanDerWaalsContact O-N 3.15Å; N28-F30 WeakPolarHBondContact OD1-CA 3.44Å; N28-F30 WeakPolarHBondContact OD1-CB 3.36Å; N28-F30 PolarHBondContact OD1-N 3.39Å; F30-D32 PolarHBondContact O-N 3.35Å; F30-V50 HydrophobicContact CB-CG1 4.5Å; F30-V50 HydrophobicContact CD1-CG1 4.01Å; F30-V50 HydrophobicContact CD2-CB 3.53Å; F30-V50 HydrophobicContact CD2-CG1 3.83Å; F30-V50 HydrophobicContact CD2-CG2 3.86Å; F30-V50 HydrophobicContact CE1-CG1 4.18Å; F30-V50 HydrophobicContact CE2-CB 3.66Å; F30-V50 HydrophobicContact CE2-CG1 4.02Å; F30-V50 HydrophobicContact CE2-CG2 4.44Å; F30-V50 HydrophobicContact CG-CB 4.05Å; F30-V50 HydrophobicContact CG-CG1 3.84Å; F30-V50 HydrophobicContact CG-CG2 4.3Å; F30-V50 HydrophobicContact CZ-CB 4.26Å; F30-V50 HydrophobicContact CZ-CG1 4.18Å |
| 31 | S | 96.7 | Very high | 95.9 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 73% | 0.727 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 65.9 | 4.2 | -171 | -55.3 | 0 | 0 | 0 | 0 | 115.7 | A27 N28 E29 | A27-S31 WeakPolarHBondContact CB-O 3.15Å; N28-S31 PolarHBondContact O-N 3.5Å; E29-S31 VanDerWaalsContact C-N 3.32Å |
| 32 | D | 96.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 36.7 Ų | 36.7 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | trans | -76.7 | 136.6 | 173.1 | -83.3 | -45.1 | 0 | 0 | 0 | 111.9 | A27 N28 F30 C34 | A27-D32 CarbonylContact C-O 3.58Å; A27-D32 VanDerWaalsContact CA-O 3.28Å; A27-D32 WeakPolarHBondContact CA-O 3.3Å; N28-D32 PolarHBondContact N-O 2.85Å; N28-D32 PolarHBondContact ND2-O 2.93Å; N28-D32 PolarHBondContact OD1-N 2.85Å; N28-D32 PolarHBondContact OD1-O 3.17Å; F30-D32 PolarHBondContact O-N 3.35Å; D32-C34 PolarHBondContact O-N 2.95Å | ||
| 33 | R | 96.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 38.5 Ų | 38.5 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -73 | -13.6 | 168.4 | -69.8 | -175.1 | 179.2 | 165.6 | 9.1 | 113.7 | Y14 E370 | Y14-R33 WeakPolarHBondContact CD1-O 3.31Å; R33-E370 VanDerWaalsContact CD-OE1 3.28Å; R33-E370 WeakPolarHBondContact CD-OE1 3.47Å; R33-E370 IonicContact CZ-OE1 3.68Å; R33-E370 IonicContact NE-OE1 3.31Å; R33-E370 IonicContact NH1-OE1 2.66Å; R33-E370 PolarHBondContact NH1-OE1 3.13Å; R33-E370 IonicContact NH1-OE2 2.78Å |
| 34 | C | 95.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 22% | 0.216 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.9 | -178.3 | 159.3 | 0 | 0 | 0 | 0 | 109.7 | S12 Y14 N28 D32 | S12-C34 WeakPolarHBondContact CB-SG 3.37Å; S12-C34 PolarHBondContact OG-SG 3.48Å; Y14-C34 HydrophobicContact CE1-CB 3.67Å; N28-C34 PolarHBondContact ND2-O 3.29Å; N28-C34 VanDerWaalsContact ND2-O 3.09Å; D32-C34 PolarHBondContact O-N 2.95Å |
| 35 | T | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.2 | 170.1 | -64.9 | 0 | 0 | 0 | 0 | 109.2 | C13 N28 K124 L125 | C13-T35 PolarHBondContact N-O 3.05Å; C13-T35 PolarHBondContact O-N 3.44Å; N28-T35 PolarHBondContact ND2-OG1 2.96Å; T35-K124 HydrophobicContact CG2-CG 4.44Å; T35-L125 HydrophobicContact CG2-CD2 4.05Å |
| 36 | P | 98.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 141.3 | 179.7 | -28 | 35.5 | 0 | 0 | 0 | 113.9 | Q11 V38 G49 V50 K53 | Q11-P36 WeakPolarHBondContact O-CA 3.31Å; P36-V38 HydrophobicContact CB-CB 4.45Å; P36-V38 HydrophobicContact CB-CG2 3.86Å; P36-V38 PolarHBondContact O-N 2.92Å; P36-G49 WeakPolarHBondContact O-CA 3.34Å; P36-V50 HydrophobicContact CG-CG2 4.23Å; P36-K53 HydrophobicContact CB-CB 4.02Å; P36-K53 HydrophobicContact CB-CG 4.41Å; P36-K53 HydrophobicContact CG-CB 4.03Å; P36-K53 HydrophobicContact CG-CG 4.3Å |
| 37 | S | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -79.8 | 60 | 177.6 | -47.2 | 0 | 0 | 0 | 0 | 111.1 | G9 Q11 S12 C13 | G9-S37 WeakPolarHBondContact O-CB 3.03Å; G9-S37 PolarHBondContact O-OG 3.15Å; Q11-S37 VanDerWaalsContact C-OG 3.22Å; Q11-S37 PolarHBondContact O-N 3.2Å; S12-S37 PolarHBondContact N-OG 3.29Å; S12-S37 VanDerWaalsContact N-OG 3.14Å; C13-S37 PolarHBondContact SG-OG 2.53Å; C13-S37 VanDerWaalsContact SG-OG 3.33Å |
| 38 | V | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.7 | -170.3 | -170 | 0 | 0 | 0 | 0 | 110.2 | P36 I48 G49 A52 K53 T63 V64 | P36-V38 HydrophobicContact CB-CB 4.45Å; P36-V38 HydrophobicContact CB-CG2 3.86Å; P36-V38 PolarHBondContact O-N 2.92Å; V38-I48 WeakPolarHBondContact O-CA 3.38Å; V38-G49 PolarHBondContact O-N 3.2Å; V38-A52 HydrophobicContact CB-CB 4.08Å; V38-A52 HydrophobicContact CG1-CB 3.77Å; V38-A52 WeakPolarHBondContact O-CB 3.45Å; V38-K53 HydrophobicContact CG2-CB 4.41Å; V38-K53 HydrophobicContact CG2-CD 4.29Å; V38-T63 HydrophobicContact CG1-CG2 3.4Å; V38-T63 VanDerWaalsContact CG1-CG2 3.4Å; V38-V64 WeakPolarHBondContact CA-O 3.29Å |
| 39 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140 | 171.2 | -56.4 | 71.6 | 0 | 0 | 0 | 107.1 | F41 I48 T63 V64 F67 I117 M120 L121 | I39-F41 HydrophobicContact CB-CE2 4.31Å; I39-F41 HydrophobicContact CG2-CD2 4.31Å; I39-F41 HydrophobicContact CG2-CE1 4.28Å; I39-F41 HydrophobicContact CG2-CE2 3.64Å; I39-F41 HydrophobicContact CG2-CZ 3.62Å; I39-I48 HydrophobicContact CG1-CG1 4.47Å; I39-I48 HydrophobicContact CG1-CG2 4.33Å; I39-I48 HydrophobicContact CG2-CG1 4.23Å; I39-T63 CarbonylContact O-C 3.54Å; I39-T63 WeakPolarHBondContact O-CA 3.29Å; I39-V64 PolarHBondContact N-O 2.96Å; I39-V64 PolarHBondContact O-N 3.48Å; I39-F67 HydrophobicContact CD1-CD1 4.47Å; I39-F67 HydrophobicContact CD1-CE1 3.43Å; I39-F67 VanDerWaalsContact CD1-CE1 3.43Å; I39-F67 HydrophobicContact CD1-CZ 3.52Å; I39-I117 HydrophobicContact CD1-CG2 3.81Å; I39-I117 HydrophobicContact CG1-CG2 4.37Å; I39-M120 HydrophobicContact CG1-CB 4.05Å; I39-M120 HydrophobicContact CG2-CB 4.5Å; I39-M120 HydrophobicContact CG2-SD 4.1Å; I39-L121 HydrophobicContact CD1-CB 4.22Å |
| 40 | S | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136.6 | 173.2 | -168 | 0 | 0 | 0 | 0 | 110.9 | R46 T47 Q55 N62 T63 | S40-R46 CarbonylContact O-C 3.54Å; S40-R46 VanDerWaalsContact O-CA 3.29Å; S40-R46 WeakPolarHBondContact O-CA 3.24Å; S40-R46 WeakPolarHBondContact O-CB 3.34Å; S40-T47 PolarHBondContact N-O 3.4Å; S40-T47 PolarHBondContact O-N 2.83Å; S40-Q55 VanDerWaalsContact CB-NE2 3.31Å; S40-Q55 PolarHBondContact OG-NE2 2.98Å; S40-N62 WeakPolarHBondContact CA-O 3.23Å; S40-T63 WeakPolarHBondContact CB-OG1 3.49Å; S40-T63 PolarHBondContact OG-OG1 2.68Å |
| 41 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.8 | -175.4 | -61 | -93.2 | 0 | 0 | 0 | 110.5 | I39 R46 N62 V64 V103 M104 Y105 F112 I117 M120 M622 | I39-F41 HydrophobicContact CB-CE2 4.31Å; I39-F41 HydrophobicContact CG2-CD2 4.31Å; I39-F41 HydrophobicContact CG2-CE1 4.28Å; I39-F41 HydrophobicContact CG2-CE2 3.64Å; I39-F41 HydrophobicContact CG2-CZ 3.62Å; F41-R46 HydrophobicContact CD1-CB 4.28Å; F41-N62 HydrophobicContact CB-CB 4.33Å; F41-N62 WeakPolarHBondContact CD2-O 3.5Å; F41-N62 PolarHBondContact N-O 3.28Å; F41-N62 WeakPolarHBondContact O-CB 3.38Å; F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.91Å; F41-V103 HydrophobicContact CB-CB 4.36Å; F41-V103 HydrophobicContact CB-CG2 4.3Å; F41-V103 HydrophobicContact CD1-CG2 4.04Å; F41-V103 HydrophobicContact CD2-CB 3.87Å; F41-V103 HydrophobicContact CD2-CG1 3.72Å; F41-V103 HydrophobicContact CD2-CG2 3.71Å; F41-V103 HydrophobicContact CE1-CG2 4.29Å; F41-V103 HydrophobicContact CE2-CB 4.42Å; F41-V103 HydrophobicContact CE2-CG1 4Å; F41-V103 HydrophobicContact CE2-CG2 3.99Å; F41-V103 HydrophobicContact CG-CB 4.13Å; F41-V103 HydrophobicContact CG-CG1 4.48Å; F41-V103 HydrophobicContact CG-CG2 3.74Å; F41-V103 HydrophobicContact CZ-CG2 4.27Å; F41-M104 VanDerWaalsContact CB-O 3.31Å; F41-M104 WeakPolarHBondContact CB-O 3.25Å; F41-Y105 HydrophobicContact CB-CD2 4.13Å; F41-Y105 AromaticContact CD1-CD2 3.71Å; F41-Y105 HydrophobicContact CD1-CD2 3.71Å; F41-Y105 HydrophobicContact CD1-CE2 4.5Å; F41-Y105 HydrophobicContact CD1-CG 4.02Å; F41-Y105 HydrophobicContact CG-CD2 4.42Å; F41-F112 HydrophobicContact CD1-CE2 4.04Å; F41-F112 AromaticContact CE1-CD2 3.95Å; F41-F112 HydrophobicContact CE1-CD2 3.95Å; F41-F112 AromaticContact CE1-CE2 3.46Å; F41-F112 HydrophobicContact CE1-CE2 3.46Å; F41-F112 VanDerWaalsContact CE1-CE2 3.46Å; F41-F112 HydrophobicContact CE1-CZ 4.11Å; F41-F112 AromaticContact CZ-CD2 3.94Å; F41-F112 HydrophobicContact CZ-CD2 3.94Å; F41-F112 AromaticContact CZ-CE2 3.95Å; F41-F112 HydrophobicContact CZ-CE2 3.95Å; F41-I117 HydrophobicContact CE2-CD1 4.02Å; F41-I117 HydrophobicContact CZ-CD1 3.61Å; F41-M120 HydrophobicContact CE1-CE 3.93Å; F41-M120 HydrophobicContact CE1-SD 3.62Å; F41-M120 HydrophobicContact CZ-CE 4.01Å; F41-M120 HydrophobicContact CZ-SD 3.57Å; F41-M120 VanDerWaalsContact CZ-SD 3.57Å; F41-M622 HydrophobicContact CE1-CE 4.08Å |
| 42 | G | 95.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | trans | -119.3 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K44 N45 M106 | G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.21Å; G42-N45 WeakPolarHBondContact CA-O 3.5Å; G42-N45 PolarHBondContact N-O 3.37Å; G42-M106 PolarHBondContact O-N 3.42Å | ||
| 43 | P | 94.9 | Very high | 97.1 | Very high | 70 Ų | 70 | 25 Ų | 25 | 46% | 0.455 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -77.9 | -9 | -177.1 | 31.7 | -36.2 | 0 | 0 | 0 | 114.2 | M106 | P43-M106 WeakPolarHBondContact O-CA 3.19Š|
| 44 | K | 93.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 24.4 Ų | 24.4 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -129.3 | -35.1 | -178.5 | -63.4 | -177.8 | -176.1 | 174.1 | 0 | 114.1 | G42 Q625 E629 D683 | G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.21Å; K44-Q625 WeakPolarHBondContact O-CG 3.37Å; K44-Q625 PolarHBondContact O-NE2 3.37Å; K44-E629 HydrophobicContact CB-CG 3.97Å; K44-E629 WeakPolarHBondContact CD-OE1 3.42Å; K44-D683 WeakPolarHBondContact CE-OD2 3.49Å; K44-D683 IonicContact NZ-OD1 2.72Å; K44-D683 PolarHBondContact NZ-OD1 3.47Å; K44-D683 IonicContact NZ-OD2 2.72Å; K44-D683 PolarHBondContact NZ-OD2 2.82Å |
| 45 | N | 95.8 | Very high | 97 | Very high | 43 Ų | 43 | 25 Ų | 25 | 23% | 0.23 | 14% | 0.14 | C | C | . | . | trans | -152.4 | 172.1 | -174.8 | 69.3 | -61 | 0 | 0 | 0 | 109.5 | G42 D626 E629 | G42-N45 WeakPolarHBondContact CA-O 3.5Å; G42-N45 PolarHBondContact N-O 3.37Å; N45-D626 WeakPolarHBondContact CB-OD1 3.12Å; N45-E629 HydrophobicContact CB-CB 4.04Å; N45-E629 HydrophobicContact CB-CG 3.96Å | ||
| 46 | R | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 155.9 | 165.4 | 52.4 | 170.2 | -173.9 | -167.4 | 5 | 109.8 | S40 F41 Y105 M120 E619 D626 | S40-R46 CarbonylContact O-C 3.54Å; S40-R46 VanDerWaalsContact O-CA 3.29Å; S40-R46 WeakPolarHBondContact O-CA 3.24Å; S40-R46 WeakPolarHBondContact O-CB 3.34Å; F41-R46 HydrophobicContact CD1-CB 4.28Å; R46-Y105 HydrophobicContact CB-CE2 4.31Å; R46-M120 VanDerWaalsContact NH1-CB 3.3Å; R46-M120 PolarHBondContact NH1-SD 2.91Å; R46-E619 IonicContact CZ-OE1 3.12Å; R46-E619 IonicContact CZ-OE2 3.91Å; R46-E619 VanDerWaalsContact NH1-CD 3.27Å; R46-E619 IonicContact NH1-OE1 2.6Å; R46-E619 PolarHBondContact NH1-OE1 2.86Å; R46-E619 IonicContact NH1-OE2 2.94Å; R46-E619 PolarHBondContact NH1-OE2 3.07Å; R46-E619 IonicContact NH2-OE1 2.71Å; R46-E619 PolarHBondContact NH2-OE1 3.23Å; R46-E619 IonicContact NH2-OE2 2.76Å; R46-D626 WeakPolarHBondContact CG-OD1 3.49Å; R46-D626 VanDerWaalsContact CG-OD2 3.25Å; R46-D626 WeakPolarHBondContact CG-OD2 3.48Å; R46-D626 IonicContact CZ-OD2 2.71Å; R46-D626 PolarHBondContact N-OD1 2.89Å; R46-D626 IonicContact NE-OD2 3.42Å; R46-D626 PolarHBondContact NE-OD2 2.87Å; R46-D626 IonicContact NH2-OD2 3.23Å; R46-D626 PolarHBondContact NH2-OD2 3.01Å |
| 47 | T | 97.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 26 Ų | 26 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.4 | 166.1 | 65.1 | 0 | 0 | 0 | 0 | 108.9 | S40 A51 A52 Q55 | S40-T47 PolarHBondContact N-O 3.4Å; S40-T47 PolarHBondContact O-N 2.83Å; T47-A51 HydrophobicContact CG2-CB 4.4Å; T47-A52 WeakPolarHBondContact O-CB 3.49Å; T47-A52 WeakPolarHBondContact OG1-CA 3.34Å; T47-Q55 PolarHBondContact OG1-NE2 3.38Å; T47-Q55 PolarHBondContact OG1-OE1 3.13Å |
| 48 | I | 98.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.7 | -175.2 | -53.1 | 152.6 | 0 | 0 | 0 | 108.5 | V38 I39 M120 L121 K124 | V38-I48 WeakPolarHBondContact O-CA 3.38Å; I39-I48 HydrophobicContact CG1-CG1 4.47Å; I39-I48 HydrophobicContact CG1-CG2 4.33Å; I39-I48 HydrophobicContact CG2-CG1 4.23Å; I48-M120 HydrophobicContact CD1-CB 4.34Å; I48-M120 WeakPolarHBondContact CD1-O 3.47Å; I48-L121 HydrophobicContact CG2-CD1 4.16Å; I48-K124 HydrophobicContact CB-CB 3.92Å; I48-K124 HydrophobicContact CB-CG 4.01Å; I48-K124 HydrophobicContact CD1-CB 4.21Å; I48-K124 HydrophobicContact CG2-CB 3.47Å; I48-K124 VanDerWaalsContact CG2-CB 3.47Å; I48-K124 HydrophobicContact CG2-CG 3.79Å |
| 49 | G | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -132.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P36 V38 A51 A52 K53 | P36-G49 WeakPolarHBondContact O-CA 3.34Å; V38-G49 PolarHBondContact O-N 3.2Å; G49-A51 PolarHBondContact O-N 2.86Å; G49-A52 PolarHBondContact O-N 2.92Å; G49-K53 PolarHBondContact O-N 3.41Å |
| 50 | V | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | -173.7 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | F30 P36 A52 K53 N54 | F30-V50 HydrophobicContact CB-CG1 4.5Å; F30-V50 HydrophobicContact CD1-CG1 4.01Å; F30-V50 HydrophobicContact CD2-CB 3.53Å; F30-V50 HydrophobicContact CD2-CG1 3.83Å; F30-V50 HydrophobicContact CD2-CG2 3.86Å; F30-V50 HydrophobicContact CE1-CG1 4.18Å; F30-V50 HydrophobicContact CE2-CB 3.66Å; F30-V50 HydrophobicContact CE2-CG1 4.02Å; F30-V50 HydrophobicContact CE2-CG2 4.44Å; F30-V50 HydrophobicContact CG-CB 4.05Å; F30-V50 HydrophobicContact CG-CG1 3.84Å; F30-V50 HydrophobicContact CG-CG2 4.3Å; F30-V50 HydrophobicContact CZ-CB 4.26Å; F30-V50 HydrophobicContact CZ-CG1 4.18Å; P36-V50 HydrophobicContact CG-CG2 4.23Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 2.93Å; V50-K53 WeakPolarHBondContact O-CB 3.36Å; V50-K53 PolarHBondContact O-N 3.41Å; V50-K53 VanDerWaalsContact O-N 3.15Å; V50-N54 PolarHBondContact O-N 3.19Å; V50-N54 PolarHBondContact O-OD1 3Å |
| 51 | A | 96.1 | Very high | 95.9 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 26% | 0.256 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T47 G49 K53 N54 Q55 | T47-A51 HydrophobicContact CG2-CB 4.4Å; G49-A51 PolarHBondContact O-N 2.86Å; A51-K53 VanDerWaalsContact C-N 3.35Å; A51-K53 PolarHBondContact O-N 3.01Å; A51-N54 PolarHBondContact O-N 2.88Å; A51-Q55 PolarHBondContact O-N 2.88Å |
| 52 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V38 T47 G49 V50 Q56 | V38-A52 HydrophobicContact CB-CB 4.08Å; V38-A52 HydrophobicContact CG1-CB 3.77Å; V38-A52 WeakPolarHBondContact O-CB 3.45Å; T47-A52 WeakPolarHBondContact O-CB 3.49Å; T47-A52 WeakPolarHBondContact OG1-CA 3.34Å; G49-A52 PolarHBondContact O-N 2.92Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 2.93Å; A52-Q56 PolarHBondContact O-N 2.65Å |
| 53 | K | 97 | Very high | 95.9 | Very high | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 176.5 | -179.4 | 61.1 | -177.2 | -177.8 | 0 | 111.9 | P36 V38 G49 V50 A51 Q55 Q56 | P36-K53 HydrophobicContact CB-CB 4.02Å; P36-K53 HydrophobicContact CB-CG 4.41Å; P36-K53 HydrophobicContact CG-CB 4.03Å; P36-K53 HydrophobicContact CG-CG 4.3Å; V38-K53 HydrophobicContact CG2-CB 4.41Å; V38-K53 HydrophobicContact CG2-CD 4.29Å; G49-K53 PolarHBondContact O-N 3.41Å; V50-K53 WeakPolarHBondContact O-CB 3.36Å; V50-K53 PolarHBondContact O-N 3.41Å; V50-K53 VanDerWaalsContact O-N 3.15Å; A51-K53 VanDerWaalsContact C-N 3.35Å; A51-K53 PolarHBondContact O-N 3.01Å; K53-Q55 VanDerWaalsContact C-N 3.35Å; K53-Q55 PolarHBondContact O-N 2.83Å; K53-Q56 WeakPolarHBondContact O-CB 3.18Å; K53-Q56 PolarHBondContact O-N 3.12Å |
| 54 | N | 95.6 | Very high | 96 | Very high | 118 Ų | 118 | 35.7 Ų | 35.7 | 63% | 0.631 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.7 | -40.5 | 179.1 | -68.3 | -8.8 | 0 | 0 | 0 | 111.7 | V50 A51 Q56 | V50-N54 PolarHBondContact O-N 3.19Å; V50-N54 PolarHBondContact O-OD1 3Å; A51-N54 PolarHBondContact O-N 2.88Å; N54-Q56 VanDerWaalsContact C-N 3.33Å; N54-Q56 PolarHBondContact O-N 3.48Å |
| 55 | Q | 94.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9 | 177 | 73 | -170.9 | 53.7 | 0 | 0 | 114.7 | S40 T47 A51 K53 I57 T58 H59 | S40-Q55 VanDerWaalsContact CB-NE2 3.31Å; S40-Q55 PolarHBondContact OG-NE2 2.98Å; T47-Q55 PolarHBondContact OG1-NE2 3.38Å; T47-Q55 PolarHBondContact OG1-OE1 3.13Å; A51-Q55 PolarHBondContact O-N 2.88Å; K53-Q55 VanDerWaalsContact C-N 3.35Å; K53-Q55 PolarHBondContact O-N 2.83Å; Q55-I57 VanDerWaalsContact C-N 3.3Å; Q55-I57 PolarHBondContact O-N 2.83Å; Q55-T58 WeakPolarHBondContact CA-OG1 3.39Å; Q55-T58 PolarHBondContact O-N 2.67Å; Q55-T58 PolarHBondContact O-OG1 2.71Å; Q55-T58 VanDerWaalsContact O-OG1 3.11Å; Q55-H59 PolarHBondContact O-N 2.93Å |
| 56 | Q | 95.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.8 | -175 | -174.7 | 173.6 | 42.5 | 0 | 0 | 113.9 | A52 K53 N54 A60 T63 S65 | A52-Q56 PolarHBondContact O-N 2.65Å; K53-Q56 WeakPolarHBondContact O-CB 3.18Å; K53-Q56 PolarHBondContact O-N 3.12Å; N54-Q56 VanDerWaalsContact C-N 3.33Å; N54-Q56 PolarHBondContact O-N 3.48Å; Q56-A60 WeakPolarHBondContact O-CA 3.23Å; Q56-A60 PolarHBondContact O-N 3.28Å; Q56-T63 HydrophobicContact CB-CG2 3.97Å; Q56-T63 HydrophobicContact CG-CG2 3.85Å; Q56-S65 PolarHBondContact NE2-OG 2.87Å |
| 57 | I | 94.3 | Very high | 96 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -38.4 | 178 | -67.2 | 160.8 | 0 | 0 | 0 | 111.2 | Q55 R261 L264 R265 | Q55-I57 VanDerWaalsContact C-N 3.3Å; Q55-I57 PolarHBondContact O-N 2.83Å; I57-R261 HydrophobicContact CG2-CB 4.24Å; I57-R261 WeakPolarHBondContact O-CD 3.49Å; I57-R261 VanDerWaalsContact O-CG 3.3Å; I57-R261 WeakPolarHBondContact O-CG 3.44Å; I57-R261 PolarHBondContact O-NE 2.96Å; I57-L264 HydrophobicContact CG1-CB 4.16Å; I57-R265 HydrophobicContact CD1-CG 3.72Å; I57-R265 HydrophobicContact CG1-CG 4.33Å; I57-R265 HydrophobicContact CG2-CG 4.15Å |
| 58 | T | 93.8 | Very high | 96 | Very high | 77 Ų | 77 | 33 Ų | 33 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -46.4 | -179.8 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | Q55 R261 | Q55-T58 WeakPolarHBondContact CA-OG1 3.39Å; Q55-T58 PolarHBondContact O-N 2.67Å; Q55-T58 PolarHBondContact O-OG1 2.71Å; Q55-T58 VanDerWaalsContact O-OG1 3.11Å; T58-R261 PolarHBondContact O-NE 3.45Å; T58-R261 PolarHBondContact O-NH2 3.18Å |
| 59 | H | 94.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 27.3 | -177.8 | -67.5 | -101.1 | 0 | 0 | 0 | 113.9 | Q55 N61 N62 T63 | Q55-H59 PolarHBondContact O-N 2.93Å; H59-N61 VanDerWaalsContact C-N 3.28Å; H59-N61 PolarHBondContact O-N 2.81Å; H59-N62 CarbonylContact O-C 3.5Å; H59-N62 WeakPolarHBondContact O-CA 3.12Å; H59-N62 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-N 3.33Å; H59-T63 VanDerWaalsContact O-N 3.13Å; H59-T63 PolarHBondContact O-OG1 2.71Å; H59-T63 VanDerWaalsContact O-OG1 3.13Å |
| 60 | A | 94.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -37.2 | -45.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q56 N62 T63 S88 I260 L264 | Q56-A60 WeakPolarHBondContact O-CA 3.23Å; Q56-A60 PolarHBondContact O-N 3.28Å; A60-N62 VanDerWaalsContact C-N 3.34Å; A60-T63 PolarHBondContact O-N 3.13Å; A60-S88 VanDerWaalsContact O-CB 3.29Å; A60-S88 WeakPolarHBondContact O-CB 3.37Å; A60-S88 PolarHBondContact O-OG 3.42Å; A60-I260 HydrophobicContact CB-CG1 4.4Å; A60-I260 HydrophobicContact CB-CG2 4.25Å; A60-L264 HydrophobicContact CB-CD1 3.53Å |
| 61 | N | 94.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 32.4 Ų | 32.4 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -73.4 | -24.4 | -177.3 | -61.6 | 28.8 | 0 | 0 | 0 | 113.7 | H59 S88 Y89 | H59-N61 VanDerWaalsContact C-N 3.28Å; H59-N61 PolarHBondContact O-N 2.81Å; N61-S88 WeakPolarHBondContact CA-O 3.48Å; N61-Y89 WeakPolarHBondContact O-CB 3.48Å |
| 62 | N | 96.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 31 Ų | 31 | 19% | 0.187 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -107 | 11.4 | 178.3 | -63.7 | -14.5 | 0 | 0 | 0 | 112 | S40 F41 H59 A60 M104 | S40-N62 WeakPolarHBondContact CA-O 3.23Å; F41-N62 HydrophobicContact CB-CB 4.33Å; F41-N62 WeakPolarHBondContact CD2-O 3.5Å; F41-N62 PolarHBondContact N-O 3.28Å; F41-N62 WeakPolarHBondContact O-CB 3.38Å; H59-N62 CarbonylContact O-C 3.5Å; H59-N62 WeakPolarHBondContact O-CA 3.12Å; H59-N62 PolarHBondContact O-N 2.9Å; A60-N62 VanDerWaalsContact C-N 3.34Å; N62-M104 PolarHBondContact ND2-O 3.4Å; N62-M104 PolarHBondContact OD1-N 3.41Å; N62-M104 VanDerWaalsContact OD1-N 3.14Å |
| 63 | T | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.1 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | V38 I39 S40 Q56 H59 A60 Y89 | V38-T63 HydrophobicContact CG1-CG2 3.4Å; V38-T63 VanDerWaalsContact CG1-CG2 3.4Å; I39-T63 CarbonylContact O-C 3.54Å; I39-T63 WeakPolarHBondContact O-CA 3.29Å; S40-T63 WeakPolarHBondContact CB-OG1 3.49Å; S40-T63 PolarHBondContact OG-OG1 2.68Å; Q56-T63 HydrophobicContact CB-CG2 3.97Å; Q56-T63 HydrophobicContact CG-CG2 3.85Å; H59-T63 PolarHBondContact O-N 3.33Å; H59-T63 VanDerWaalsContact O-N 3.13Å; H59-T63 PolarHBondContact O-OG1 2.71Å; H59-T63 VanDerWaalsContact O-OG1 3.13Å; A60-T63 PolarHBondContact O-N 3.13Å; T63-Y89 WeakPolarHBondContact O-CD1 3.22Å |
| 64 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.5 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 110 | V38 I39 F41 F67 Y89 I101 V103 I117 | V38-V64 WeakPolarHBondContact CA-O 3.29Å; I39-V64 PolarHBondContact N-O 2.96Å; I39-V64 PolarHBondContact O-N 3.48Å; F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.91Å; V64-F67 HydrophobicContact CG1-CB 4.42Å; V64-F67 HydrophobicContact CG1-CD1 3.88Å; V64-F67 HydrophobicContact CG1-CG 4.41Å; V64-Y89 HydrophobicContact CB-CE1 4.47Å; V64-Y89 HydrophobicContact CG1-CE1 4.22Å; V64-Y89 HydrophobicContact CG1-CE2 3.99Å; V64-Y89 HydrophobicContact CG2-CD2 4.36Å; V64-Y89 HydrophobicContact CG2-CG 4.31Å; V64-I101 HydrophobicContact CG1-CD1 4.1Å; V64-I101 HydrophobicContact CG1-CG2 4.09Å; V64-I101 HydrophobicContact CG2-CG2 3.67Å; V64-V103 HydrophobicContact CG2-CG1 3.81Å; V64-I117 HydrophobicContact CG1-CG2 3.89Å |
| 65 | S | 96 | Very high | 95 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 165.9 | 177.6 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | Q56 F67 Y89 | Q56-S65 PolarHBondContact NE2-OG 2.87Å; S65-F67 PolarHBondContact O-N 3.07Å; S65-Y89 WeakPolarHBondContact O-CE1 3.37Å; S65-Y89 PolarHBondContact O-OH 2.88Å |
| 66 | S | 94.1 | Very high | 95 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 25% | 0.245 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 66.4 | 8.3 | 179.2 | -47.8 | 0 | 0 | 0 | 0 | 116 | K68 | S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.97Å |
| 67 | F | 96.1 | Very high | 95 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -71.1 | -12.4 | -173.6 | 58.9 | -90.7 | 0 | 0 | 0 | 115.5 | I39 V64 S65 R69 F70 I101 I117 T118 L121 | I39-F67 HydrophobicContact CD1-CD1 4.47Å; I39-F67 HydrophobicContact CD1-CE1 3.43Å; I39-F67 VanDerWaalsContact CD1-CE1 3.43Å; I39-F67 HydrophobicContact CD1-CZ 3.52Å; V64-F67 HydrophobicContact CG1-CB 4.42Å; V64-F67 HydrophobicContact CG1-CD1 3.88Å; V64-F67 HydrophobicContact CG1-CG 4.41Å; S65-F67 PolarHBondContact O-N 3.07Å; F67-R69 PolarHBondContact O-N 3.24Å; F67-F70 HydrophobicContact CB-CD2 4.04Å; F67-F70 HydrophobicContact CB-CE2 4.33Å; F67-F70 WeakPolarHBondContact O-CB 3.07Å; F67-F70 PolarHBondContact O-N 3.13Å; F67-I101 HydrophobicContact CB-CD1 4.2Å; F67-I117 HydrophobicContact CD1-CG2 3.82Å; F67-I117 HydrophobicContact CD2-CG2 3.74Å; F67-I117 HydrophobicContact CE1-CG2 3.86Å; F67-I117 HydrophobicContact CE2-CG2 3.78Å; F67-I117 HydrophobicContact CG-CG2 3.76Å; F67-I117 HydrophobicContact CZ-CG2 3.83Å; F67-T118 WeakPolarHBondContact CE2-OG1 3.31Å; F67-L121 HydrophobicContact CE2-CD2 4.48Å; F67-L121 HydrophobicContact CZ-CB 4.4Å; F67-L121 HydrophobicContact CZ-CD2 3.8Å |
| 68 | K | 96.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -50.5 | -30.5 | -179 | -178 | 176.4 | -171.6 | 176.6 | 0 | 112.9 | V8 S66 F70 H71 F148 | V8-K68 WeakPolarHBondContact O-CD 3.32Å; V8-K68 WeakPolarHBondContact O-CE 3.43Å; V8-K68 PolarHBondContact O-NZ 3.18Å; S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.97Å; K68-F70 VanDerWaalsContact C-N 3.32Å; K68-F70 PolarHBondContact O-N 2.69Å; K68-H71 PolarHBondContact O-CD2 2.8Å; K68-H71 VanDerWaalsContact O-CD2 3.32Å; K68-F148 HydrophobicContact CG-CZ 4.06Å |
| 69 | R | 93.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 28 Ų | 28 | 4% | 0.038 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -85.1 | 3.2 | -178.7 | -69.5 | -57.9 | -54.9 | -77.7 | -8.4 | 115.4 | F67 R73 F79 P229 | F67-R69 PolarHBondContact O-N 3.24Å; R69-R73 VanDerWaalsContact O-CD 3.27Å; R69-R73 WeakPolarHBondContact O-CD 3.12Å; R69-R73 PolarHBondContact O-NE 3.37Å; R69-F79 HydrophobicContact CB-CE1 3.83Å; R69-F79 HydrophobicContact CB-CZ 3.9Å; R69-P229 PolarHBondContact NH1-O 3.49Å |
| 70 | F | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -100.2 | -4.2 | 177.9 | -49.1 | -24.1 | 0 | 0 | 0 | 113.1 | F67 K68 G72 R73 F79 I80 E83 L87 L91 V99 V114 | F67-F70 HydrophobicContact CB-CD2 4.04Å; F67-F70 HydrophobicContact CB-CE2 4.33Å; F67-F70 WeakPolarHBondContact O-CB 3.07Å; F67-F70 PolarHBondContact O-N 3.13Å; K68-F70 VanDerWaalsContact C-N 3.32Å; K68-F70 PolarHBondContact O-N 2.69Å; F70-G72 PolarHBondContact O-N 3.29Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.4Å; F70-F79 HydrophobicContact CD1-CE1 4.24Å; F70-F79 HydrophobicContact CE1-CE1 4.26Å; F70-I80 HydrophobicContact CB-CD1 4.01Å; F70-I80 HydrophobicContact CD1-CD1 3.25Å; F70-I80 HydrophobicContact CE1-CD1 3.96Å; F70-I80 HydrophobicContact CG-CD1 3.81Å; F70-E83 HydrophobicContact CE1-CB 4.14Å; F70-E83 HydrophobicContact CE1-CG 4.38Å; F70-E83 HydrophobicContact CZ-CB 4.33Å; F70-L87 HydrophobicContact CE2-CD1 4.02Å; F70-L87 HydrophobicContact CZ-CD1 3.93Å; F70-L91 HydrophobicContact CD2-CD1 4.4Å; F70-L91 HydrophobicContact CD2-CD2 4.33Å; F70-L91 HydrophobicContact CE2-CD1 4Å; F70-L91 HydrophobicContact CE2-CD2 4.12Å; F70-L91 HydrophobicContact CZ-CD1 4.2Å; F70-V99 HydrophobicContact CB-CB 4.44Å; F70-V99 HydrophobicContact CB-CG1 4.25Å; F70-V99 HydrophobicContact CB-CG2 4.45Å; F70-V99 HydrophobicContact CD2-CG1 4.46Å; F70-V114 HydrophobicContact CB-CG1 4.14Å; F70-V114 HydrophobicContact CB-CG2 3.64Å |
| 71 | H | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 133.6 | 176.9 | -88 | -63.7 | 0 | 0 | 0 | 112.1 | K68 R73 T118 E152 S155 | K68-H71 PolarHBondContact O-CD2 2.8Å; K68-H71 VanDerWaalsContact O-CD2 3.32Å; H71-R73 VanDerWaalsContact O-CG 3.26Å; H71-R73 WeakPolarHBondContact O-CG 3.19Å; H71-R73 PolarHBondContact O-N 2.99Å; H71-T118 PolarHBondContact CE1-OG1 3.13Å; H71-T118 PolarHBondContact NE2-OG1 3.09Å; H71-E152 HydrophobicContact CB-CG 4.43Å; H71-E152 WeakPolarHBondContact O-CG 3.29Å; H71-S155 WeakPolarHBondContact CA-OG 3.43Å; H71-S155 PolarHBondContact ND1-OG 3.21Å |
| 72 | G | 92.4 | Very high | 95 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F70 S155 Y454 W605 | F70-G72 PolarHBondContact O-N 3.29Å; G72-S155 VanDerWaalsContact N-CB 3.31Å; G72-S155 PolarHBondContact N-OG 3Å; G72-S155 VanDerWaalsContact N-OG 3.1Å; G72-Y454 PolarHBondContact O-OH 3.38Å; G72-W605 VanDerWaalsContact O-CG 3.29Å |
| 73 | R | 92.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | trans | -96.9 | 140.3 | -175.6 | -58.6 | -150.4 | 166.9 | -138.2 | -3.3 | 113.3 | R69 F70 H71 D77 I80 G98 V99 E152 P453 Y454 | R69-R73 VanDerWaalsContact O-CD 3.27Å; R69-R73 WeakPolarHBondContact O-CD 3.12Å; R69-R73 PolarHBondContact O-NE 3.37Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.4Å; H71-R73 VanDerWaalsContact O-CG 3.26Å; H71-R73 WeakPolarHBondContact O-CG 3.19Å; H71-R73 PolarHBondContact O-N 2.99Å; R73-D77 WeakPolarHBondContact CD-OD2 3.42Å; R73-D77 IonicContact CZ-OD2 3.99Å; R73-D77 IonicContact NE-OD2 3.56Å; R73-D77 IonicContact NH1-OD2 2.68Å; R73-D77 PolarHBondContact NH1-OD2 2.7Å; R73-I80 HydrophobicContact CB-CD1 4.13Å; R73-I80 HydrophobicContact CB-CG1 4.07Å; R73-G98 WeakPolarHBondContact O-CA 3.48Å; R73-V99 HydrophobicContact CB-CG2 4.23Å; R73-V99 PolarHBondContact O-N 2.84Å; R73-E152 IonicContact CZ-OE1 3.69Å; R73-E152 IonicContact NE-OE1 3.8Å; R73-E152 PolarHBondContact NE-OE1 3.31Å; R73-E152 IonicContact NH2-OE1 2.69Å; R73-E152 PolarHBondContact NH2-OE1 2.91Å; R73-P453 PolarHBondContact NH1-O 2.85Å; R73-P453 PolarHBondContact NH2-O 3.47Å; R73-Y454 WeakPolarHBondContact CA-OH 3.27Å; R73-Y454 HydrophobicContact CB-CE2 3.94Å; R73-Y454 HydrophobicContact CG-CD2 4.11Å; R73-Y454 HydrophobicContact CG-CE2 3.66Å | ||
| 74 | A | 93.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 142.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S76 D77 Y454 W605 | A74-S76 PolarHBondContact O-N 3.21Å; A74-D77 WeakPolarHBondContact O-CB 3.07Å; A74-D77 PolarHBondContact O-N 3.46Å; A74-Y454 PolarHBondContact N-OH 2.75Å; A74-Y454 VanDerWaalsContact N-OH 3.15Å; A74-W605 HydrophobicContact CB-CH2 3.91Å; A74-W605 HydrophobicContact CB-CZ2 3.48Å; A74-W605 VanDerWaalsContact CB-CZ2 3.48Å |
| 75 | F | 95.6 | Very high | 94.2 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31 | 171.6 | 178.5 | -102 | 0 | 0 | 0 | 112 | D77 I80 Q81 L91 V92 P93 G97 | F75-D77 VanDerWaalsContact C-N 3.3Å; F75-D77 PolarHBondContact O-N 2.93Å; F75-I80 HydrophobicContact CD2-CG2 4.32Å; F75-Q81 VanDerWaalsContact CE1-NE2 3.34Å; F75-Q81 PolarHBondContact O-NE2 3.41Å; F75-L91 HydrophobicContact CE2-CB 4.09Å; F75-L91 WeakPolarHBondContact CE2-O 3.41Å; F75-V92 VanDerWaalsContact CD2-C 3.42Å; F75-V92 WeakPolarHBondContact CD2-O 3.07Å; F75-P93 HydrophobicContact CB-CB 4.02Å; F75-P93 HydrophobicContact CD1-CB 3.73Å; F75-P93 HydrophobicContact CD1-CG 4.13Å; F75-P93 HydrophobicContact CE1-CB 4.37Å; F75-P93 HydrophobicContact CE1-CG 4.28Å; F75-P93 HydrophobicContact CG-CB 3.84Å; F75-G97 PolarHBondContact N-O 3.17Å |
| 76 | S | 94.9 | Very high | 93.8 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 66% | 0.657 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -1.2 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | A74 | A74-S76 PolarHBondContact O-N 3.21Š|
| 77 | D | 93.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | -60 | 126.4 | 175 | 177.5 | -9.3 | 0 | 0 | 0 | 110.1 | R73 A74 F75 F79 I80 Q81 P455 | R73-D77 WeakPolarHBondContact CD-OD2 3.42Å; R73-D77 IonicContact CZ-OD2 3.99Å; R73-D77 IonicContact NE-OD2 3.56Å; R73-D77 IonicContact NH1-OD2 2.68Å; R73-D77 PolarHBondContact NH1-OD2 2.7Å; A74-D77 WeakPolarHBondContact O-CB 3.07Å; A74-D77 PolarHBondContact O-N 3.46Å; F75-D77 VanDerWaalsContact C-N 3.3Å; F75-D77 PolarHBondContact O-N 2.93Å; D77-F79 PolarHBondContact O-N 3.3Å; D77-F79 VanDerWaalsContact O-N 3.1Å; D77-F79 WeakPolarHBondContact OD1-CB 3.39Å; D77-F79 PolarHBondContact OD1-N 2.92Å; D77-I80 HydrophobicContact CB-CB 4.28Å; D77-I80 HydrophobicContact CB-CG1 3.89Å; D77-I80 WeakPolarHBondContact O-CA 3.38Å; D77-I80 WeakPolarHBondContact O-CB 3.5Å; D77-I80 PolarHBondContact O-N 3.19Å; D77-Q81 PolarHBondContact O-N 3.04Å; D77-P455 HydrophobicContact CB-CG 4.28Å | ||
| 78 | P | 93.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -52.4 | -30.1 | 175.9 | -28.4 | 36.1 | 0 | 0 | 0 | 114.6 | K82 | P78-K82 WeakPolarHBondContact O-CB 3.3Å; P78-K82 PolarHBondContact O-N 2.79Å |
| 79 | F | 92.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 173 | 170.4 | -107.9 | 0 | 0 | 0 | 112.1 | R69 F70 D77 K82 E83 F230 | R69-F79 HydrophobicContact CB-CE1 3.83Å; R69-F79 HydrophobicContact CB-CZ 3.9Å; F70-F79 HydrophobicContact CD1-CE1 4.24Å; F70-F79 HydrophobicContact CE1-CE1 4.26Å; D77-F79 PolarHBondContact O-N 3.3Å; D77-F79 VanDerWaalsContact O-N 3.1Å; D77-F79 WeakPolarHBondContact OD1-CB 3.39Å; D77-F79 PolarHBondContact OD1-N 2.92Å; F79-K82 PolarHBondContact O-N 3.26Å; F79-E83 HydrophobicContact CD2-CG 4.08Å; F79-E83 HydrophobicContact CE1-CG 4.27Å; F79-E83 HydrophobicContact CE2-CG 3.48Å; F79-E83 VanDerWaalsContact CE2-CG 3.48Å; F79-E83 HydrophobicContact CZ-CG 3.59Å; F79-E83 PolarHBondContact O-N 2.92Å; F79-F230 HydrophobicContact CD2-CD1 4.12Å; F79-F230 AromaticContact CD2-CE1 3.53Å; F79-F230 HydrophobicContact CD2-CE1 3.53Å; F79-F230 HydrophobicContact CD2-CZ 4.43Å; F79-F230 AromaticContact CE2-CD1 3.89Å; F79-F230 HydrophobicContact CE2-CD1 3.89Å; F79-F230 AromaticContact CE2-CE1 3.61Å; F79-F230 HydrophobicContact CE2-CE1 3.61Å; F79-F230 HydrophobicContact CG-CE1 4.23Å; F79-F230 HydrophobicContact CZ-CE1 4.36Å |
| 80 | I | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.4 | -63.4 | -59.3 | 0 | 0 | 0 | 110.8 | F70 R73 F75 D77 K82 E83 K84 L91 V99 | F70-I80 HydrophobicContact CB-CD1 4.01Å; F70-I80 HydrophobicContact CD1-CD1 3.25Å; F70-I80 HydrophobicContact CE1-CD1 3.96Å; F70-I80 HydrophobicContact CG-CD1 3.81Å; R73-I80 HydrophobicContact CB-CD1 4.13Å; R73-I80 HydrophobicContact CB-CG1 4.07Å; F75-I80 HydrophobicContact CD2-CG2 4.32Å; D77-I80 HydrophobicContact CB-CB 4.28Å; D77-I80 HydrophobicContact CB-CG1 3.89Å; D77-I80 WeakPolarHBondContact O-CA 3.38Å; D77-I80 WeakPolarHBondContact O-CB 3.5Å; D77-I80 PolarHBondContact O-N 3.19Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.96Å; I80-E83 PolarHBondContact O-N 3.28Å; I80-K84 WeakPolarHBondContact O-CB 3.38Å; I80-K84 PolarHBondContact O-N 3.37Å; I80-L91 HydrophobicContact CG2-CD1 3.97Å; I80-V99 HydrophobicContact CB-CG2 4.48Å; I80-V99 HydrophobicContact CD1-CG2 3.83Å; I80-V99 HydrophobicContact CG1-CG2 3.84Å; I80-V99 HydrophobicContact CG2-CG2 3.88Å |
| 81 | Q | 95.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 177.5 | -65.8 | -58.6 | -55.8 | 0 | 0 | 111.7 | F75 D77 | F75-Q81 VanDerWaalsContact CE1-NE2 3.34Å; F75-Q81 PolarHBondContact O-NE2 3.41Å; D77-Q81 PolarHBondContact O-N 3.04Å |
| 82 | K | 94.2 | Very high | 93.8 | Very high | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.9 | -50.7 | 175 | -173.2 | -169.7 | 173.4 | -165.3 | 0 | 112.8 | P78 F79 I80 K84 E85 | P78-K82 WeakPolarHBondContact O-CB 3.3Å; P78-K82 PolarHBondContact O-N 2.79Å; F79-K82 PolarHBondContact O-N 3.26Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.96Å; K82-K84 PolarHBondContact O-N 3.15Å; K82-E85 PolarHBondContact O-N 3.08Å |
| 83 | E | 92.9 | Very high | 94 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -33.8 | -178.6 | -74.1 | -70 | 114.4 | 0 | 0 | 111.2 | F70 F79 I80 E85 S86 L87 K234 | F70-E83 HydrophobicContact CE1-CB 4.14Å; F70-E83 HydrophobicContact CE1-CG 4.38Å; F70-E83 HydrophobicContact CZ-CB 4.33Å; F79-E83 HydrophobicContact CD2-CG 4.08Å; F79-E83 HydrophobicContact CE1-CG 4.27Å; F79-E83 HydrophobicContact CE2-CG 3.48Å; F79-E83 VanDerWaalsContact CE2-CG 3.48Å; F79-E83 HydrophobicContact CZ-CG 3.59Å; F79-E83 PolarHBondContact O-N 2.92Å; I80-E83 PolarHBondContact O-N 3.28Å; E83-E85 PolarHBondContact O-N 3.07Å; E83-E85 VanDerWaalsContact O-N 3.14Å; E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.34Å; E83-L87 PolarHBondContact O-N 3Å; E83-K234 IonicContact OE1-NZ 2.81Å; E83-K234 PolarHBondContact OE1-NZ 3.13Å; E83-K234 IonicContact OE2-NZ 3.77Å; E83-K234 PolarHBondContact OE2-NZ 3.04Å |
| 84 | K | 94 | Very high | 94.1 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -51.3 | -35.2 | 176.1 | -178.6 | 175.1 | 175.6 | 163.6 | 0 | 113.5 | I80 K82 S86 L91 | I80-K84 WeakPolarHBondContact O-CB 3.38Å; I80-K84 PolarHBondContact O-N 3.37Å; K82-K84 PolarHBondContact O-N 3.15Å; K84-S86 PolarHBondContact O-N 3.41Å; K84-L91 HydrophobicContact CB-CD1 4.29Å; K84-L91 HydrophobicContact CD-CB 4.18Å; K84-L91 WeakPolarHBondContact CE-O 3.33Å; K84-L91 HydrophobicContact CG-CB 4.3Å; K84-L91 PolarHBondContact NZ-O 2.87Å |
| 85 | E | 89.6 | Confident | 93.9 | Very high | 179 Ų | 179 | 63 Ų | 63 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.3 | 178.3 | -58.9 | -174.9 | 163.3 | 0 | 0 | 113.7 | K82 E83 | K82-E85 PolarHBondContact O-N 3.08Å; E83-E85 PolarHBondContact O-N 3.07Å; E83-E85 VanDerWaalsContact O-N 3.14Å |
| 86 | S | 86.8 | Confident | 93.6 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -6.4 | -173.7 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | E83 K84 | E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.34Å; K84-S86 PolarHBondContact O-N 3.41Å |
| 87 | L | 93.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | trans | -84.2 | 157.1 | -176 | -64.7 | 173.3 | 0 | 0 | 0 | 112.4 | F70 E83 Y89 L91 | F70-L87 HydrophobicContact CE2-CD1 4.02Å; F70-L87 HydrophobicContact CZ-CD1 3.93Å; E83-L87 PolarHBondContact O-N 3Å; L87-Y89 VanDerWaalsContact C-N 3.34Å; L87-Y89 HydrophobicContact CB-CD1 4.4Å; L87-Y89 HydrophobicContact CB-CE1 4.32Å; L87-Y89 HydrophobicContact CD1-CE1 4.47Å; L87-Y89 HydrophobicContact CD1-CE2 3.92Å; L87-Y89 HydrophobicContact CD2-CE1 3.92Å; L87-Y89 HydrophobicContact CG-CE1 4.46Å; L87-L91 HydrophobicContact CD1-CD1 3.68Å; L87-L91 HydrophobicContact CD1-CD2 4.12Å; L87-L91 HydrophobicContact CD1-CG 3.71Å | ||
| 88 | S | 93 | Very high | 93.4 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.119 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -83.4 | -11 | 171.2 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | A60 N61 | A60-S88 VanDerWaalsContact O-CB 3.29Å; A60-S88 WeakPolarHBondContact O-CB 3.37Å; A60-S88 PolarHBondContact O-OG 3.42Å; N61-S88 WeakPolarHBondContact CA-O 3.48Å |
| 89 | Y | 95.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -131.3 | 157 | -171 | 60.6 | -92.6 | 0 | 0 | 0 | 111.4 | N61 T63 V64 S65 L87 L91 I101 | N61-Y89 WeakPolarHBondContact O-CB 3.48Å; T63-Y89 WeakPolarHBondContact O-CD1 3.22Å; V64-Y89 HydrophobicContact CB-CE1 4.47Å; V64-Y89 HydrophobicContact CG1-CE1 4.22Å; V64-Y89 HydrophobicContact CG1-CE2 3.99Å; V64-Y89 HydrophobicContact CG2-CD2 4.36Å; V64-Y89 HydrophobicContact CG2-CG 4.31Å; S65-Y89 WeakPolarHBondContact O-CE1 3.37Å; S65-Y89 PolarHBondContact O-OH 2.88Å; L87-Y89 VanDerWaalsContact C-N 3.34Å; L87-Y89 HydrophobicContact CB-CD1 4.4Å; L87-Y89 HydrophobicContact CB-CE1 4.32Å; L87-Y89 HydrophobicContact CD1-CE1 4.47Å; L87-Y89 HydrophobicContact CD1-CE2 3.92Å; L87-Y89 HydrophobicContact CD2-CE1 3.92Å; L87-Y89 HydrophobicContact CG-CE1 4.46Å; Y89-L91 HydrophobicContact CD2-CD2 4.31Å; Y89-L91 HydrophobicContact CE2-CD2 3.78Å; Y89-I101 HydrophobicContact CD2-CG2 3.87Å; Y89-I101 HydrophobicContact CE2-CD1 4.41Å; Y89-I101 HydrophobicContact CE2-CG1 4.14Å; Y89-I101 HydrophobicContact CE2-CG2 4.05Å |
| 90 | D | 96.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.1 | -172.1 | -90.6 | -34.2 | 0 | 0 | 0 | 113.1 | K102 | D90-K102 HydrophobicContact CB-CB 4.02Å; D90-K102 HydrophobicContact CB-CD 4.37Å; D90-K102 PolarHBondContact O-N 2.89Å; D90-K102 WeakPolarHBondContact OD2-CE 3.19Å; D90-K102 IonicContact OD2-NZ 2.87Å; D90-K102 PolarHBondContact OD2-NZ 3.35Å |
| 91 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.6 | 163.3 | -60.2 | -172.5 | 0 | 0 | 0 | 111.3 | F70 F75 I80 K84 L87 Y89 V99 G100 I101 | F70-L91 HydrophobicContact CD2-CD1 4.4Å; F70-L91 HydrophobicContact CD2-CD2 4.33Å; F70-L91 HydrophobicContact CE2-CD1 4Å; F70-L91 HydrophobicContact CE2-CD2 4.12Å; F70-L91 HydrophobicContact CZ-CD1 4.2Å; F75-L91 HydrophobicContact CE2-CB 4.09Å; F75-L91 WeakPolarHBondContact CE2-O 3.41Å; I80-L91 HydrophobicContact CG2-CD1 3.97Å; K84-L91 HydrophobicContact CB-CD1 4.29Å; K84-L91 HydrophobicContact CD-CB 4.18Å; K84-L91 WeakPolarHBondContact CE-O 3.33Å; K84-L91 HydrophobicContact CG-CB 4.3Å; K84-L91 PolarHBondContact NZ-O 2.87Å; L87-L91 HydrophobicContact CD1-CD1 3.68Å; L87-L91 HydrophobicContact CD1-CD2 4.12Å; L87-L91 HydrophobicContact CD1-CG 3.71Å; Y89-L91 HydrophobicContact CD2-CD2 4.31Å; Y89-L91 HydrophobicContact CE2-CD2 3.78Å; L91-V99 HydrophobicContact CD1-CG1 4.32Å; L91-V99 HydrophobicContact CD2-CG1 4.01Å; L91-G100 WeakPolarHBondContact CA-O 3.44Å; L91-I101 HydrophobicContact CD2-CD1 4.48Å; L91-I101 HydrophobicContact CD2-CG1 3.58Å |
| 92 | V | 97 | Very high | 94 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.4 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | F75 G100 K102 L111 | F75-V92 VanDerWaalsContact CD2-C 3.42Å; F75-V92 WeakPolarHBondContact CD2-O 3.07Å; V92-G100 PolarHBondContact N-O 3.28Å; V92-G100 WeakPolarHBondContact O-CA 3.31Å; V92-G100 PolarHBondContact O-N 2.86Å; V92-K102 HydrophobicContact CG1-CB 4.16Å; V92-K102 HydrophobicContact CG1-CD 4.39Å; V92-K102 HydrophobicContact CG2-CB 4.4Å; V92-L111 HydrophobicContact CG2-CD1 4.33Å; V92-L111 HydrophobicContact CG2-CD2 3.88Å |
| 93 | P | 97.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.4 | 170.7 | 29.2 | -32.5 | 0 | 0 | 0 | 111.4 | F75 | F75-P93 HydrophobicContact CB-CB 4.02Å; F75-P93 HydrophobicContact CD1-CB 3.73Å; F75-P93 HydrophobicContact CD1-CG 4.13Å; F75-P93 HydrophobicContact CE1-CB 4.37Å; F75-P93 HydrophobicContact CE1-CG 4.28Å; F75-P93 HydrophobicContact CG-CB 3.84Å |
| 94 | M | 94.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | trans | -74.6 | 164.9 | 167.4 | -69.1 | -64.1 | -85.7 | 0 | 0 | 111.2 | N96 G97 G98 G100 L111 Y615 | M94-N96 VanDerWaalsContact CB-OD1 3.23Å; M94-N96 WeakPolarHBondContact CB-OD1 3.46Å; M94-N96 PolarHBondContact O-N 2.66Å; M94-N96 VanDerWaalsContact O-N 3.07Å; M94-G97 PolarHBondContact O-N 3.44Å; M94-G98 WeakPolarHBondContact CB-O 3.34Å; M94-G98 PolarHBondContact N-O 3.4Å; M94-G100 VanDerWaalsContact CG-CA 3.5Å; M94-L111 HydrophobicContact SD-CB 4.38Å; M94-Y615 WeakPolarHBondContact CE-OH 3.43Å | ||
| 95 | K | 90.3 | Very high | 94.5 | Very high | 230 Ų | 230 | 48 Ų | 48 | 100% | 1 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22 | -179.7 | -65.9 | -177.9 | -178.6 | 175.6 | 0 | 114.4 | ||
| 96 | N | 87.8 | Confident | 94.8 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1 | 174.8 | 65.1 | -12.3 | 0 | 0 | 0 | 113.7 | M94 G98 W605 | M94-N96 VanDerWaalsContact CB-OD1 3.23Å; M94-N96 WeakPolarHBondContact CB-OD1 3.46Å; M94-N96 PolarHBondContact O-N 2.66Å; M94-N96 VanDerWaalsContact O-N 3.07Å; N96-G98 PolarHBondContact OD1-N 2.92Å; N96-W605 WeakPolarHBondContact O-CZ3 3.15Å |
| 97 | G | 91.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 87.5 | -3.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | F75 M94 | F75-G97 PolarHBondContact N-O 3.17Å; M94-G97 PolarHBondContact O-N 3.44Å |
| 98 | G | 93.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 51 Ų | 51 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 172 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R73 M94 N96 G100 | R73-G98 WeakPolarHBondContact O-CA 3.48Å; M94-G98 WeakPolarHBondContact CB-O 3.34Å; M94-G98 PolarHBondContact N-O 3.4Å; N96-G98 PolarHBondContact OD1-N 2.92Å; G98-G100 PolarHBondContact O-N 3.5Å |
| 99 | V | 96.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.8 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | F70 R73 I80 L91 V114 | F70-V99 HydrophobicContact CB-CB 4.44Å; F70-V99 HydrophobicContact CB-CG1 4.25Å; F70-V99 HydrophobicContact CB-CG2 4.45Å; F70-V99 HydrophobicContact CD2-CG1 4.46Å; R73-V99 HydrophobicContact CB-CG2 4.23Å; R73-V99 PolarHBondContact O-N 2.84Å; I80-V99 HydrophobicContact CB-CG2 4.48Å; I80-V99 HydrophobicContact CD1-CG2 3.83Å; I80-V99 HydrophobicContact CG1-CG2 3.84Å; I80-V99 HydrophobicContact CG2-CG2 3.88Å; L91-V99 HydrophobicContact CD1-CG1 4.32Å; L91-V99 HydrophobicContact CD2-CG1 4.01Å; V99-V114 HydrophobicContact CB-CG2 3.89Å; V99-V114 HydrophobicContact CG1-CG2 4.04Å |
| 100 | G | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L91 V92 M94 G98 F112 | L91-G100 WeakPolarHBondContact CA-O 3.44Å; V92-G100 PolarHBondContact N-O 3.28Å; V92-G100 WeakPolarHBondContact O-CA 3.31Å; V92-G100 PolarHBondContact O-N 2.86Å; M94-G100 VanDerWaalsContact CG-CA 3.5Å; G98-G100 PolarHBondContact O-N 3.5Å; G100-F112 CarbonylContact C-O 3.54Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å |
| 101 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.9 | -179.7 | -69.5 | 161.4 | 0 | 0 | 0 | 107.6 | V64 F67 Y89 L91 V103 F112 I117 | V64-I101 HydrophobicContact CG1-CD1 4.1Å; V64-I101 HydrophobicContact CG1-CG2 4.09Å; V64-I101 HydrophobicContact CG2-CG2 3.67Å; F67-I101 HydrophobicContact CB-CD1 4.2Å; Y89-I101 HydrophobicContact CD2-CG2 3.87Å; Y89-I101 HydrophobicContact CE2-CD1 4.41Å; Y89-I101 HydrophobicContact CE2-CG1 4.14Å; Y89-I101 HydrophobicContact CE2-CG2 4.05Å; L91-I101 HydrophobicContact CD2-CD1 4.48Å; L91-I101 HydrophobicContact CD2-CG1 3.58Å; I101-V103 HydrophobicContact CG2-CG1 4.23Å; I101-F112 PolarHBondContact N-O 3.47Å; I101-F112 PolarHBondContact O-N 2.91Å; I101-I117 HydrophobicContact CB-CG1 4.34Å; I101-I117 HydrophobicContact CD1-CB 4.4Å; I101-I117 HydrophobicContact CD1-CG1 3.81Å |
| 102 | K | 97.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.1 | -176.2 | -174.4 | -167.7 | 89 | 174.5 | 0 | 110.5 | D90 V92 E109 H110 L111 | D90-K102 HydrophobicContact CB-CB 4.02Å; D90-K102 HydrophobicContact CB-CD 4.37Å; D90-K102 PolarHBondContact O-N 2.89Å; D90-K102 WeakPolarHBondContact OD2-CE 3.19Å; D90-K102 IonicContact OD2-NZ 2.87Å; D90-K102 PolarHBondContact OD2-NZ 3.35Å; V92-K102 HydrophobicContact CG1-CB 4.16Å; V92-K102 HydrophobicContact CG1-CD 4.39Å; V92-K102 HydrophobicContact CG2-CB 4.4Å; K102-E109 HydrophobicContact CD-CG 4.13Å; K102-E109 WeakPolarHBondContact CD-OE2 3.41Å; K102-E109 HydrophobicContact CG-CG 3.78Å; K102-E109 IonicContact NZ-OE2 3.55Å; K102-H110 WeakPolarHBondContact CA-O 3.4Å; K102-L111 HydrophobicContact CB-CD2 3.64Å; K102-L111 HydrophobicContact CD-CD2 4.35Å; K102-L111 HydrophobicContact CG-CD2 3.54Å |
| 103 | V | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.5 | -178.3 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | F41 V64 I101 H110 F112 | F41-V103 HydrophobicContact CB-CB 4.36Å; F41-V103 HydrophobicContact CB-CG2 4.3Å; F41-V103 HydrophobicContact CD1-CG2 4.04Å; F41-V103 HydrophobicContact CD2-CB 3.87Å; F41-V103 HydrophobicContact CD2-CG1 3.72Å; F41-V103 HydrophobicContact CD2-CG2 3.71Å; F41-V103 HydrophobicContact CE1-CG2 4.29Å; F41-V103 HydrophobicContact CE2-CB 4.42Å; F41-V103 HydrophobicContact CE2-CG1 4Å; F41-V103 HydrophobicContact CE2-CG2 3.99Å; F41-V103 HydrophobicContact CG-CB 4.13Å; F41-V103 HydrophobicContact CG-CG1 4.48Å; F41-V103 HydrophobicContact CG-CG2 3.74Å; F41-V103 HydrophobicContact CZ-CG2 4.27Å; V64-V103 HydrophobicContact CG2-CG1 3.81Å; I101-V103 HydrophobicContact CG2-CG1 4.23Å; V103-H110 HydrophobicContact CG2-CB 4.41Å; V103-H110 PolarHBondContact N-O 2.97Å; V103-H110 PolarHBondContact O-N 3.15Å; V103-F112 HydrophobicContact CG2-CD2 3.77Å; V103-F112 HydrophobicContact CG2-CE2 3.72Å |
| 104 | M | 97.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 37% | 0.365 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128 | 162.7 | -58.6 | -59.4 | -59.6 | 0 | 0 | 109.4 | F41 N62 D107 E108 E109 | F41-M104 VanDerWaalsContact CB-O 3.31Å; F41-M104 WeakPolarHBondContact CB-O 3.25Å; N62-M104 PolarHBondContact ND2-O 3.4Å; N62-M104 PolarHBondContact OD1-N 3.41Å; N62-M104 VanDerWaalsContact OD1-N 3.14Å; M104-D107 WeakPolarHBondContact CE-O 3.41Å; M104-E108 WeakPolarHBondContact CA-O 3.1Å; M104-E108 VanDerWaalsContact CE-C 3.44Å; M104-E109 HydrophobicContact SD-CB 3.94Å; M104-E109 HydrophobicContact SD-CG 4.4Å |
| 105 | Y | 97.2 | Very high | 95.9 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.4 | 177.6 | 172.8 | -105.6 | 0 | 0 | 0 | 108.8 | F41 R46 D107 E108 H110 M622 | F41-Y105 HydrophobicContact CB-CD2 4.13Å; F41-Y105 AromaticContact CD1-CD2 3.71Å; F41-Y105 HydrophobicContact CD1-CD2 3.71Å; F41-Y105 HydrophobicContact CD1-CE2 4.5Å; F41-Y105 HydrophobicContact CD1-CG 4.02Å; F41-Y105 HydrophobicContact CG-CD2 4.42Å; R46-Y105 HydrophobicContact CB-CE2 4.31Å; Y105-D107 PolarHBondContact O-N 2.95Å; Y105-E108 PolarHBondContact N-O 3.49Å; Y105-E108 PolarHBondContact O-N 2.82Å; Y105-H110 AromaticContact CD1-CD2 3.92Å; Y105-H110 AromaticContact CD1-NE2 3.86Å; Y105-H110 PolarHBondContact O-CD2 3.39Å; Y105-M622 HydrophobicContact CD1-CE 4.28Å; Y105-M622 HydrophobicContact CE1-CE 3.91Å; Y105-M622 HydrophobicContact CE2-CE 4.16Å |
| 106 | M | 95.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 39% | 0.389 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 38.9 | -172.7 | -61 | -179 | 70.8 | 0 | 0 | 112.9 | G42 P43 E108 Q625 | G42-M106 PolarHBondContact O-N 3.42Å; P43-M106 WeakPolarHBondContact O-CA 3.19Å; M106-E108 PolarHBondContact O-N 3.07Å; M106-E108 VanDerWaalsContact O-N 3.08Å; M106-Q625 HydrophobicContact CE-CG 4.25Å; M106-Q625 HydrophobicContact SD-CG 3.9Å |
| 107 | D | 93.1 | Very high | 96.8 | Very high | 125 Ų | 125 | 39 Ų | 39 | 67% | 0.668 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 7.7 | -176.2 | -58.1 | -37.9 | 0 | 0 | 0 | 116.7 | M104 Y105 | M104-D107 WeakPolarHBondContact CE-O 3.41Å; Y105-D107 PolarHBondContact O-N 2.95Å |
| 108 | E | 96.7 | Very high | 97.2 | Very high | 133 Ų | 133 | 37.6 Ų | 37.6 | 62% | 0.621 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 155.7 | 170.2 | -62.9 | -166.1 | 162.5 | 0 | 0 | 112.3 | M104 Y105 M106 | M104-E108 WeakPolarHBondContact CA-O 3.1Å; M104-E108 VanDerWaalsContact CE-C 3.44Å; Y105-E108 PolarHBondContact N-O 3.49Å; Y105-E108 PolarHBondContact O-N 2.82Å; M106-E108 PolarHBondContact O-N 3.07Å; M106-E108 VanDerWaalsContact O-N 3.08Å |
| 109 | E | 97.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 56% | 0.556 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 116.5 | 174.6 | -173.6 | 178.6 | 98.2 | 0 | 0 | 110.3 | K102 M104 | K102-E109 HydrophobicContact CD-CG 4.13Å; K102-E109 WeakPolarHBondContact CD-OE2 3.41Å; K102-E109 HydrophobicContact CG-CG 3.78Å; K102-E109 IonicContact NZ-OE2 3.55Å; M104-E109 HydrophobicContact SD-CB 3.94Å; M104-E109 HydrophobicContact SD-CG 4.4Å |
| 110 | H | 97.4 | Very high | 97.5 | Very high | 58 Ų | 58 | 37 Ų | 37 | 27% | 0.269 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.7 | 179.6 | -77 | -91.5 | 0 | 0 | 0 | 112.5 | K102 V103 Y105 F112 | K102-H110 WeakPolarHBondContact CA-O 3.4Å; V103-H110 HydrophobicContact CG2-CB 4.41Å; V103-H110 PolarHBondContact N-O 2.97Å; V103-H110 PolarHBondContact O-N 3.15Å; Y105-H110 AromaticContact CD1-CD2 3.92Å; Y105-H110 AromaticContact CD1-NE2 3.86Å; Y105-H110 PolarHBondContact O-CD2 3.39Å; H110-F112 HydrophobicContact CB-CD2 4.22Å; H110-F112 HydrophobicContact CB-CE2 3.54Å; H110-F112 HydrophobicContact CB-CZ 3.81Å |
| 111 | L | 97.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 43% | 0.429 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 113.8 | 172.6 | -55 | -170.4 | 0 | 0 | 0 | 109.7 | V92 M94 K102 | V92-L111 HydrophobicContact CG2-CD1 4.33Å; V92-L111 HydrophobicContact CG2-CD2 3.88Å; M94-L111 HydrophobicContact SD-CB 4.38Å; K102-L111 HydrophobicContact CB-CD2 3.64Å; K102-L111 HydrophobicContact CD-CD2 4.35Å; K102-L111 HydrophobicContact CG-CD2 3.54Å |
| 112 | F | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.5 | 177.4 | -64.7 | -69.4 | 0 | 0 | 0 | 111 | F41 G100 I101 V103 H110 Q116 I117 M120 M622 | F41-F112 HydrophobicContact CD1-CE2 4.04Å; F41-F112 AromaticContact CE1-CD2 3.95Å; F41-F112 HydrophobicContact CE1-CD2 3.95Å; F41-F112 AromaticContact CE1-CE2 3.46Å; F41-F112 HydrophobicContact CE1-CE2 3.46Å; F41-F112 VanDerWaalsContact CE1-CE2 3.46Å; F41-F112 HydrophobicContact CE1-CZ 4.11Å; F41-F112 AromaticContact CZ-CD2 3.94Å; F41-F112 HydrophobicContact CZ-CD2 3.94Å; F41-F112 AromaticContact CZ-CE2 3.95Å; F41-F112 HydrophobicContact CZ-CE2 3.95Å; G100-F112 CarbonylContact C-O 3.54Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å; I101-F112 PolarHBondContact N-O 3.47Å; I101-F112 PolarHBondContact O-N 2.91Å; V103-F112 HydrophobicContact CG2-CD2 3.77Å; V103-F112 HydrophobicContact CG2-CE2 3.72Å; H110-F112 HydrophobicContact CB-CD2 4.22Å; H110-F112 HydrophobicContact CB-CE2 3.54Å; H110-F112 HydrophobicContact CB-CZ 3.81Å; F112-Q116 HydrophobicContact CB-CB 4.21Å; F112-Q116 HydrophobicContact CD1-CB 4.3Å; F112-I117 HydrophobicContact CB-CD1 3.67Å; F112-I117 HydrophobicContact CB-CG1 3.96Å; F112-I117 HydrophobicContact CD2-CD1 4.19Å; F112-I117 HydrophobicContact CG-CD1 4.14Å; F112-M120 HydrophobicContact CD1-CE 3.6Å; F112-M120 HydrophobicContact CD2-CE 4.17Å; F112-M120 HydrophobicContact CE1-CE 3.65Å; F112-M120 HydrophobicContact CE2-CE 4.21Å; F112-M120 HydrophobicContact CG-CE 3.88Å; F112-M120 HydrophobicContact CZ-CE 3.97Å; F112-M622 HydrophobicContact CE1-CE 4.13Å; F112-M622 HydrophobicContact CE1-SD 3.75Å; F112-M622 HydrophobicContact CE2-CE 4.48Å; F112-M622 HydrophobicContact CZ-CE 3.68Å; F112-M622 HydrophobicContact CZ-SD 3.89Å |
| 113 | S | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 165.3 | 169.5 | 90.2 | 0 | 0 | 0 | 0 | 111.5 | E115 Q116 I117 | S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CB-OE2 3.43Å; S113-E115 PolarHBondContact O-N 3.05Å; S113-E115 PolarHBondContact OG-N 2.89Å; S113-E115 PolarHBondContact OG-OE2 3.39Å; S113-Q116 WeakPolarHBondContact O-CB 3.29Å; S113-Q116 PolarHBondContact O-N 3.34Å; S113-Q116 VanDerWaalsContact O-N 3.15Å; S113-Q116 PolarHBondContact OG-N 2.91Å; S113-I117 PolarHBondContact O-N 3.36Å |
| 114 | V | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 175.8 | -172.5 | 0 | 0 | 0 | 0 | 111 | F70 V99 Q116 I117 T118 | F70-V114 HydrophobicContact CB-CG1 4.14Å; F70-V114 HydrophobicContact CB-CG2 3.64Å; V99-V114 HydrophobicContact CB-CG2 3.89Å; V99-V114 HydrophobicContact CG1-CG2 4.04Å; V114-Q116 VanDerWaalsContact C-N 3.34Å; V114-Q116 PolarHBondContact O-N 3.48Å; V114-I117 PolarHBondContact O-N 2.92Å; V114-T118 WeakPolarHBondContact O-CB 3.3Å; V114-T118 PolarHBondContact O-N 3.36Å; V114-T118 PolarHBondContact O-OG1 3.44Å; V114-T118 VanDerWaalsContact O-OG1 3.08Å |
| 115 | E | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 172.3 | -56.8 | 70.8 | -152 | 0 | 0 | 111.1 | S113 T118 A119 S155 D158 A159 I162 L607 | S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CB-OE2 3.43Å; S113-E115 PolarHBondContact O-N 3.05Å; S113-E115 PolarHBondContact OG-N 2.89Å; S113-E115 PolarHBondContact OG-OE2 3.39Å; E115-T118 PolarHBondContact O-N 2.86Å; E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.4Å; E115-A119 PolarHBondContact O-N 2.94Å; E115-S155 WeakPolarHBondContact CG-O 3.49Å; E115-S155 WeakPolarHBondContact OE1-CB 3.46Å; E115-S155 PolarHBondContact OE1-OG 2.94Å; E115-D158 HydrophobicContact CG-CB 4.25Å; E115-A159 HydrophobicContact CB-CB 4.29Å; E115-A159 WeakPolarHBondContact O-CB 3.46Å; E115-I162 HydrophobicContact CB-CD1 4.01Å; E115-L607 HydrophobicContact CB-CD1 4.03Å; E115-L607 HydrophobicContact CG-CD1 3.87Å; E115-L607 HydrophobicContact CG-CG 4.24Å |
| 116 | Q | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 176.6 | -66.1 | -179.1 | -80.9 | 0 | 0 | 112 | F112 S113 V114 T118 A119 M120 I162 Y615 | F112-Q116 HydrophobicContact CB-CB 4.21Å; F112-Q116 HydrophobicContact CD1-CB 4.3Å; S113-Q116 WeakPolarHBondContact O-CB 3.29Å; S113-Q116 PolarHBondContact O-N 3.34Å; S113-Q116 VanDerWaalsContact O-N 3.15Å; S113-Q116 PolarHBondContact OG-N 2.91Å; V114-Q116 VanDerWaalsContact C-N 3.34Å; V114-Q116 PolarHBondContact O-N 3.48Å; Q116-T118 VanDerWaalsContact C-N 3.33Å; Q116-T118 PolarHBondContact O-N 3.25Å; Q116-A119 WeakPolarHBondContact O-CB 3.35Å; Q116-A119 PolarHBondContact O-N 3.41Å; Q116-A119 VanDerWaalsContact O-N 3.16Å; Q116-M120 WeakPolarHBondContact O-CG 3.13Å; Q116-M120 PolarHBondContact O-N 3.39Å; Q116-I162 HydrophobicContact CG-CD1 4.35Å; Q116-Y615 HydrophobicContact CG-CD1 3.88Å; Q116-Y615 HydrophobicContact CG-CD2 3.67Å; Q116-Y615 HydrophobicContact CG-CE1 4.08Å; Q116-Y615 HydrophobicContact CG-CE2 3.9Å; Q116-Y615 HydrophobicContact CG-CG 3.66Å; Q116-Y615 VanDerWaalsContact NE2-CD1 3.31Å; Q116-Y615 VanDerWaalsContact OE1-CE1 3.25Å |
| 117 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.2 | -64.6 | -58.8 | 0 | 0 | 0 | 111.3 | I39 F41 V64 F67 I101 F112 S113 V114 M120 L121 | I39-I117 HydrophobicContact CD1-CG2 3.81Å; I39-I117 HydrophobicContact CG1-CG2 4.37Å; F41-I117 HydrophobicContact CE2-CD1 4.02Å; F41-I117 HydrophobicContact CZ-CD1 3.61Å; V64-I117 HydrophobicContact CG1-CG2 3.89Å; F67-I117 HydrophobicContact CD1-CG2 3.82Å; F67-I117 HydrophobicContact CD2-CG2 3.74Å; F67-I117 HydrophobicContact CE1-CG2 3.86Å; F67-I117 HydrophobicContact CE2-CG2 3.78Å; F67-I117 HydrophobicContact CG-CG2 3.76Å; F67-I117 HydrophobicContact CZ-CG2 3.83Å; I101-I117 HydrophobicContact CB-CG1 4.34Å; I101-I117 HydrophobicContact CD1-CB 4.4Å; I101-I117 HydrophobicContact CD1-CG1 3.81Å; F112-I117 HydrophobicContact CB-CD1 3.67Å; F112-I117 HydrophobicContact CB-CG1 3.96Å; F112-I117 HydrophobicContact CD2-CD1 4.19Å; F112-I117 HydrophobicContact CG-CD1 4.14Å; S113-I117 PolarHBondContact O-N 3.36Å; V114-I117 PolarHBondContact O-N 2.92Å; I117-M120 HydrophobicContact CD1-CE 4.27Å; I117-M120 HydrophobicContact CD1-SD 4.45Å; I117-M120 PolarHBondContact O-N 2.89Å; I117-L121 PolarHBondContact O-N 3.23Å |
| 118 | T | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.8 | -35.5 | 175 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | F67 H71 V114 E115 Q116 M120 L121 L122 A159 | F67-T118 WeakPolarHBondContact CE2-OG1 3.31Å; H71-T118 PolarHBondContact CE1-OG1 3.13Å; H71-T118 PolarHBondContact NE2-OG1 3.09Å; V114-T118 WeakPolarHBondContact O-CB 3.3Å; V114-T118 PolarHBondContact O-N 3.36Å; V114-T118 PolarHBondContact O-OG1 3.44Å; V114-T118 VanDerWaalsContact O-OG1 3.08Å; E115-T118 PolarHBondContact O-N 2.86Å; Q116-T118 VanDerWaalsContact C-N 3.33Å; Q116-T118 PolarHBondContact O-N 3.25Å; T118-M120 PolarHBondContact O-N 3.13Å; T118-L121 PolarHBondContact O-N 2.99Å; T118-L122 HydrophobicContact CG2-CD1 4.22Å; T118-L122 HydrophobicContact CG2-CG 4.34Å; T118-L122 WeakPolarHBondContact O-CG 3.06Å; T118-L122 PolarHBondContact O-N 3.29Å; T118-A159 HydrophobicContact CG2-CB 3.86Å |
| 119 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E115 Q116 L121 L122 T123 I162 V163 | E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.4Å; E115-A119 PolarHBondContact O-N 2.94Å; Q116-A119 WeakPolarHBondContact O-CB 3.35Å; Q116-A119 PolarHBondContact O-N 3.41Å; Q116-A119 VanDerWaalsContact O-N 3.16Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 3.39Å; A119-L122 CarbonylContact O-C 3.59Å; A119-L122 PolarHBondContact O-N 2.77Å; A119-T123 PolarHBondContact O-N 3.28Å; A119-T123 PolarHBondContact O-OG1 2.87Å; A119-I162 HydrophobicContact CB-CB 3.7Å; A119-I162 HydrophobicContact CB-CD1 4.19Å; A119-I162 HydrophobicContact CB-CG2 3.49Å; A119-I162 VanDerWaalsContact CB-CG2 3.49Å; A119-V163 HydrophobicContact CB-CG1 3.82Å; A119-V163 WeakPolarHBondContact O-CG1 3.35Å |
| 120 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 175.8 | -41.5 | -156.2 | 177.6 | 0 | 0 | 112 | I39 F41 R46 I48 F112 Q116 I117 T118 T123 K124 M622 | I39-M120 HydrophobicContact CG1-CB 4.05Å; I39-M120 HydrophobicContact CG2-CB 4.5Å; I39-M120 HydrophobicContact CG2-SD 4.1Å; F41-M120 HydrophobicContact CE1-CE 3.93Å; F41-M120 HydrophobicContact CE1-SD 3.62Å; F41-M120 HydrophobicContact CZ-CE 4.01Å; F41-M120 HydrophobicContact CZ-SD 3.57Å; F41-M120 VanDerWaalsContact CZ-SD 3.57Å; R46-M120 VanDerWaalsContact NH1-CB 3.3Å; R46-M120 PolarHBondContact NH1-SD 2.91Å; I48-M120 HydrophobicContact CD1-CB 4.34Å; I48-M120 WeakPolarHBondContact CD1-O 3.47Å; F112-M120 HydrophobicContact CD1-CE 3.6Å; F112-M120 HydrophobicContact CD2-CE 4.17Å; F112-M120 HydrophobicContact CE1-CE 3.65Å; F112-M120 HydrophobicContact CE2-CE 4.21Å; F112-M120 HydrophobicContact CG-CE 3.88Å; F112-M120 HydrophobicContact CZ-CE 3.97Å; Q116-M120 WeakPolarHBondContact O-CG 3.13Å; Q116-M120 PolarHBondContact O-N 3.39Å; I117-M120 HydrophobicContact CD1-CE 4.27Å; I117-M120 HydrophobicContact CD1-SD 4.45Å; I117-M120 PolarHBondContact O-N 2.89Å; T118-M120 PolarHBondContact O-N 3.13Å; M120-T123 WeakPolarHBondContact O-CB 3.4Å; M120-T123 PolarHBondContact O-N 2.95Å; M120-K124 PolarHBondContact O-N 2.93Å; M120-M622 HydrophobicContact CE-CE 3.81Å; M120-M622 HydrophobicContact CE-SD 3.89Å; M120-M622 HydrophobicContact SD-CE 4.16Å |
| 121 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 175.1 | -177.9 | 57.5 | 0 | 0 | 0 | 111.9 | V8 I39 I48 F67 I117 T118 A119 T123 K124 L125 | V8-L121 HydrophobicContact CG1-CD2 4.12Å; I39-L121 HydrophobicContact CD1-CB 4.22Å; I48-L121 HydrophobicContact CG2-CD1 4.16Å; F67-L121 HydrophobicContact CE2-CD2 4.48Å; F67-L121 HydrophobicContact CZ-CB 4.4Å; F67-L121 HydrophobicContact CZ-CD2 3.8Å; I117-L121 PolarHBondContact O-N 3.23Å; T118-L121 PolarHBondContact O-N 2.99Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 3.39Å; L121-T123 PolarHBondContact O-N 2.97Å; L121-K124 PolarHBondContact O-N 3.15Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.13Å |
| 122 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 176.8 | -69.9 | 174.8 | 0 | 0 | 0 | 112.7 | L6 V8 T118 A119 K124 L125 K126 I142 A159 A160 V163 L165 | L6-L122 HydrophobicContact CD1-CD2 3.84Å; V8-L122 HydrophobicContact CG2-CD2 4.06Å; T118-L122 HydrophobicContact CG2-CD1 4.22Å; T118-L122 HydrophobicContact CG2-CG 4.34Å; T118-L122 WeakPolarHBondContact O-CG 3.06Å; T118-L122 PolarHBondContact O-N 3.29Å; A119-L122 CarbonylContact O-C 3.59Å; A119-L122 PolarHBondContact O-N 2.77Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.86Å; L122-L125 PolarHBondContact O-N 2.72Å; L122-K126 VanDerWaalsContact O-CB 3.25Å; L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 3.03Å; L122-I142 HydrophobicContact CD1-CD1 4.37Å; L122-I142 HydrophobicContact CD2-CD1 4.18Å; L122-A159 HydrophobicContact CD1-CB 4.27Å; L122-A160 HydrophobicContact CD1-CB 4.15Å; L122-V163 HydrophobicContact CB-CG1 4.35Å; L122-V163 HydrophobicContact CB-CG2 3.96Å; L122-L165 HydrophobicContact CB-CD1 4.35Å |
| 123 | T | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -54.1 | -51.5 | 169.1 | -71 | 0 | 0 | 0 | 0 | 109.8 | A119 M120 L121 L125 K126 E127 V163 E619 I623 | A119-T123 PolarHBondContact O-N 3.28Å; A119-T123 PolarHBondContact O-OG1 2.87Å; M120-T123 WeakPolarHBondContact O-CB 3.4Å; M120-T123 PolarHBondContact O-N 2.95Å; L121-T123 PolarHBondContact O-N 2.97Å; T123-L125 PolarHBondContact O-N 3.08Å; T123-K126 WeakPolarHBondContact O-CB 3.46Å; T123-K126 PolarHBondContact O-N 3.32Å; T123-E127 WeakPolarHBondContact O-CG 3.33Å; T123-E127 PolarHBondContact O-N 3.43Å; T123-V163 WeakPolarHBondContact OG1-CG1 3.39Å; T123-E619 WeakPolarHBondContact CB-OE1 3.28Å; T123-E619 PolarHBondContact OG1-OE1 3.24Å; T123-I623 HydrophobicContact CG2-CD1 3.78Å; T123-I623 HydrophobicContact CG2-CG1 3.8Å |
| 124 | K | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -41 | 179.7 | -176.3 | 54.1 | 168.8 | 169.6 | 0 | 113 | E29 T35 I48 M120 L121 L122 E127 T128 | E29-K124 WeakPolarHBondContact OE1-CE 3.33Å; E29-K124 IonicContact OE1-NZ 3.66Å; E29-K124 PolarHBondContact OE1-NZ 2.91Å; E29-K124 IonicContact OE2-NZ 2.7Å; E29-K124 PolarHBondContact OE2-NZ 3.26Å; T35-K124 HydrophobicContact CG2-CG 4.44Å; I48-K124 HydrophobicContact CB-CB 3.92Å; I48-K124 HydrophobicContact CB-CG 4.01Å; I48-K124 HydrophobicContact CD1-CB 4.21Å; I48-K124 HydrophobicContact CG2-CB 3.47Å; I48-K124 VanDerWaalsContact CG2-CB 3.47Å; I48-K124 HydrophobicContact CG2-CG 3.79Å; M120-K124 PolarHBondContact O-N 2.93Å; L121-K124 PolarHBondContact O-N 3.15Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.86Å; K124-E127 PolarHBondContact O-N 2.89Å; K124-T128 PolarHBondContact O-N 3.27Å; K124-T128 PolarHBondContact O-OG1 2.97Å |
| 125 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 177 | -60 | -179.6 | 0 | 0 | 0 | 112.2 | L6 V8 C13 I15 T35 L121 L122 T123 T128 A129 | L6-L125 HydrophobicContact CD1-CB 4.45Å; L6-L125 HydrophobicContact CD2-CB 4.03Å; L6-L125 HydrophobicContact CD2-CD1 4.42Å; V8-L125 HydrophobicContact CG2-CD1 4.02Å; C13-L125 HydrophobicContact CB-CD1 3.83Å; C13-L125 HydrophobicContact CB-CD2 3.69Å; C13-L125 HydrophobicContact CB-CG 4.39Å; I15-L125 HydrophobicContact CD1-CB 4.08Å; I15-L125 HydrophobicContact CD1-CD2 3.85Å; I15-L125 WeakPolarHBondContact CD1-O 3.27Å; I15-L125 HydrophobicContact CG1-CB 4.29Å; I15-L125 HydrophobicContact CG1-CD2 3.99Å; T35-L125 HydrophobicContact CG2-CD2 4.05Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.13Å; L122-L125 PolarHBondContact O-N 2.72Å; T123-L125 PolarHBondContact O-N 3.08Å; L125-T128 PolarHBondContact O-N 3.09Å; L125-A129 PolarHBondContact O-N 3.32Å |
| 126 | K | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -50.9 | 172.6 | 177.5 | -179.5 | 177.1 | 172.9 | 0 | 111 | L122 T123 T128 A129 E130 V137 V163 L165 | L122-K126 VanDerWaalsContact O-CB 3.25Å; L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 3.03Å; T123-K126 WeakPolarHBondContact O-CB 3.46Å; T123-K126 PolarHBondContact O-N 3.32Å; K126-T128 VanDerWaalsContact C-N 3.33Å; K126-T128 PolarHBondContact O-N 2.79Å; K126-A129 PolarHBondContact O-N 3.21Å; K126-A129 VanDerWaalsContact O-N 3.11Å; K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 HydrophobicContact CG-CG 4.32Å; K126-E130 WeakPolarHBondContact O-CG 3.33Å; K126-E130 PolarHBondContact O-N 2.97Å; K126-V137 WeakPolarHBondContact CE-O 3.4Å; K126-V137 HydrophobicContact CG-CB 4.34Å; K126-V163 PolarHBondContact NZ-O 2.95Å; K126-L165 HydrophobicContact CB-CD1 4.46Å; K126-L165 HydrophobicContact CD-CD2 4Å; K126-L165 HydrophobicContact CD-CG 4.18Å; K126-L165 HydrophobicContact CG-CD2 4.27Å |
| 127 | E | 97.3 | Very high | 97 | Very high | 67 Ų | 67 | 38.2 Ų | 38.2 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.9 | -45.7 | 175.3 | -74.9 | 175.9 | 178.1 | 0 | 0 | 112.1 | T123 K124 A129 E130 N131 | T123-E127 WeakPolarHBondContact O-CG 3.33Å; T123-E127 PolarHBondContact O-N 3.43Å; K124-E127 PolarHBondContact O-N 2.89Å; E127-A129 VanDerWaalsContact C-N 3.35Å; E127-A129 PolarHBondContact O-N 2.93Å; E127-E130 PolarHBondContact O-N 3.23Å; E127-N131 VanDerWaalsContact O-CB 3.24Å; E127-N131 WeakPolarHBondContact O-CB 3.44Å; E127-N131 PolarHBondContact O-N 3.33Å; E127-N131 PolarHBondContact O-ND2 3.29Å |
| 128 | T | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | I15 I26 N28 K124 L125 K126 N132 | I15-T128 HydrophobicContact CD1-CG2 3.57Å; I26-T128 HydrophobicContact CD1-CG2 4.04Å; N28-T128 HydrophobicContact CB-CG2 4.07Å; K124-T128 PolarHBondContact O-N 3.27Å; K124-T128 PolarHBondContact O-OG1 2.97Å; L125-T128 PolarHBondContact O-N 3.09Å; K126-T128 VanDerWaalsContact C-N 3.33Å; K126-T128 PolarHBondContact O-N 2.79Å; T128-N132 VanDerWaalsContact O-CB 3.28Å; T128-N132 WeakPolarHBondContact O-CB 3.41Å; T128-N132 PolarHBondContact O-N 3.23Å; T128-N132 VanDerWaalsContact O-N 3.08Å |
| 129 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V4 I15 I26 L125 K126 E127 N132 L133 V137 | V4-A129 HydrophobicContact CG1-CB 4.2Å; V4-A129 HydrophobicContact CG2-CB 4.3Å; I15-A129 HydrophobicContact CG2-CB 4.22Å; I26-A129 HydrophobicContact CD1-CB 4.35Å; L125-A129 PolarHBondContact O-N 3.32Å; K126-A129 PolarHBondContact O-N 3.21Å; K126-A129 VanDerWaalsContact O-N 3.11Å; E127-A129 VanDerWaalsContact C-N 3.35Å; E127-A129 PolarHBondContact O-N 2.93Å; A129-N132 PolarHBondContact O-N 3.06Å; A129-L133 WeakPolarHBondContact O-CB 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.48Å; A129-L133 PolarHBondContact O-N 3.03Å; A129-V137 HydrophobicContact CB-CG2 3.93Å |
| 130 | E | 96.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 178 | -70.2 | -178.2 | 153.7 | 0 | 0 | 111.6 | K126 E127 N132 K134 K135 P136 V137 | K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 HydrophobicContact CG-CG 4.32Å; K126-E130 WeakPolarHBondContact O-CG 3.33Å; K126-E130 PolarHBondContact O-N 2.97Å; E127-E130 PolarHBondContact O-N 3.23Å; E130-N132 VanDerWaalsContact C-N 3.3Å; E130-N132 PolarHBondContact O-N 3.46Å; E130-K134 VanDerWaalsContact O-CA 3.31Å; E130-K134 WeakPolarHBondContact O-CA 3.47Å; E130-K134 PolarHBondContact O-N 3.4Å; E130-K135 WeakPolarHBondContact CA-O 3.49Å; E130-P136 WeakPolarHBondContact OE1-CA 3.48Å; E130-V137 HydrophobicContact CG-CB 3.76Å; E130-V137 HydrophobicContact CG-CG2 3.62Å; E130-V137 PolarHBondContact OE1-N 3.38Å |
| 131 | N | 95.6 | Very high | 96.6 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -29.7 | 175.4 | -81.7 | -62.8 | 0 | 0 | 0 | 113.2 | E127 K134 | E127-N131 VanDerWaalsContact O-CB 3.24Å; E127-N131 WeakPolarHBondContact O-CB 3.44Å; E127-N131 PolarHBondContact O-N 3.33Å; E127-N131 PolarHBondContact O-ND2 3.29Å; N131-K134 WeakPolarHBondContact O-CD 3.36Å; N131-K134 WeakPolarHBondContact O-CE 3.38Å; N131-K134 PolarHBondContact O-NZ 2.85Å |
| 132 | N | 95.1 | Very high | 96.6 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -85.2 | -34.6 | 179.3 | -174 | -84.1 | 0 | 0 | 0 | 113.3 | R19 I26 T128 A129 E130 | R19-N132 PolarHBondContact NH2-O 2.92Å; R19-N132 VanDerWaalsContact NH2-O 3.16Å; R19-N132 PolarHBondContact NH2-OD1 3.05Å; I26-N132 HydrophobicContact CB-CB 4.42Å; I26-N132 HydrophobicContact CD1-CB 3.65Å; I26-N132 WeakPolarHBondContact CG2-OD1 3.12Å; T128-N132 VanDerWaalsContact O-CB 3.28Å; T128-N132 WeakPolarHBondContact O-CB 3.41Å; T128-N132 PolarHBondContact O-N 3.23Å; T128-N132 VanDerWaalsContact O-N 3.08Å; A129-N132 PolarHBondContact O-N 3.06Å; E130-N132 VanDerWaalsContact C-N 3.3Å; E130-N132 PolarHBondContact O-N 3.46Å |
| 133 | L | 93.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -88.6 | -16.2 | 178.7 | -68 | 175.4 | 0 | 0 | 0 | 113.9 | V4 V17 A129 K135 V137 | V4-L133 HydrophobicContact CG2-CD1 4.09Å; V17-L133 HydrophobicContact CB-CD1 4.43Å; V17-L133 HydrophobicContact CB-CD2 4.04Å; V17-L133 HydrophobicContact CG1-CD1 4.08Å; V17-L133 HydrophobicContact CG1-CD2 4.29Å; V17-L133 HydrophobicContact CG1-CG 4.27Å; V17-L133 HydrophobicContact CG2-CD2 3.93Å; A129-L133 WeakPolarHBondContact O-CB 3.22Å; A129-L133 WeakPolarHBondContact O-CG 3.48Å; A129-L133 PolarHBondContact O-N 3.03Å; L133-K135 PolarHBondContact O-N 2.81Å; L133-V137 HydrophobicContact CD1-CG2 4.17Å |
| 134 | K | 94.5 | Very high | 96.5 | Very high | 169 Ų | 169 | 42 Ų | 42 | 74% | 0.735 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.1 | -171.5 | -54.1 | -56.5 | -175.8 | -163.3 | 0 | 113.1 | E130 N131 | E130-K134 VanDerWaalsContact O-CA 3.31Å; E130-K134 WeakPolarHBondContact O-CA 3.47Å; E130-K134 PolarHBondContact O-N 3.4Å; N131-K134 WeakPolarHBondContact O-CD 3.36Å; N131-K134 WeakPolarHBondContact O-CE 3.38Å; N131-K134 PolarHBondContact O-NZ 2.85Å |
| 135 | K | 92.7 | Very high | 96.4 | Very high | 139 Ų | 139 | 40.9 Ų | 40.9 | 60% | 0.604 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -148.8 | 147.9 | -176.5 | -67.6 | 176.3 | -174.4 | 174 | 0 | 109.6 | E130 L133 | E130-K135 WeakPolarHBondContact CA-O 3.49Å; L133-K135 PolarHBondContact O-N 2.81Å |
| 136 | P | 94.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 41 Ų | 41 | 62% | 0.623 | 21% | 0.207 | S | C | * | . | trans | -56.8 | 150.4 | 173.3 | -25.1 | 34.8 | 0 | 0 | 0 | 113.4 | S2 E130 | S2-P136 PolarHBondContact OG-O 3.49Å; E130-P136 WeakPolarHBondContact OE1-CA 3.48Å | ||
| 137 | V | 95.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | trans | -117.6 | 99.6 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 108.4 | V4 K126 A129 E130 L133 L165 | V4-V137 HydrophobicContact CB-CG1 4.21Å; V4-V137 HydrophobicContact CG2-CB 4.47Å; V4-V137 HydrophobicContact CG2-CG1 3.69Å; V4-V137 HydrophobicContact CG2-CG2 3.85Å; K126-V137 WeakPolarHBondContact CE-O 3.4Å; K126-V137 HydrophobicContact CG-CB 4.34Å; A129-V137 HydrophobicContact CB-CG2 3.93Å; E130-V137 HydrophobicContact CG-CB 3.76Å; E130-V137 HydrophobicContact CG-CG2 3.62Å; E130-V137 PolarHBondContact OE1-N 3.38Å; L133-V137 HydrophobicContact CD1-CG2 4.17Å; V137-L165 HydrophobicContact CG1-CD2 3.95Å; V137-L165 WeakPolarHBondContact O-CD2 3.5Å | ||
| 138 | T | 93.9 | Very high | 96 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 44% | 0.442 | 18% | 0.184 | S | C | . | . | trans | -91.6 | -38.2 | 176.6 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | N166 | T138-N166 WeakPolarHBondContact O-CB 3.24Å; T138-N166 PolarHBondContact O-N 2.86Å | ||
| 139 | D | 95.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.4 | -167.5 | -53.1 | -85.8 | 0 | 0 | 0 | 110.7 | M1 N166 L168 | M1-D139 HydrophobicContact CG-CB 4.17Å; M1-D139 HydrophobicContact SD-CB 4.48Å; D139-N166 WeakPolarHBondContact CA-O 3.39Å; D139-N166 PolarHBondContact OD1-ND2 3.09Å; D139-L168 HydrophobicContact CB-CD1 4.05Å; D139-L168 HydrophobicContact CB-CD2 4.4Å; D139-L168 HydrophobicContact CB-CG 4.14Å |
| 140 | C | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 170.3 | 178.6 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | V4 N166 C167 L168 | V4-C140 HydrophobicContact CB-CB 4.37Å; V4-C140 VanDerWaalsContact O-CA 3.3Å; V4-C140 WeakPolarHBondContact O-CA 3.23Å; C140-N166 PolarHBondContact N-O 2.88Å; C140-C167 CarbonylContact O-C 3.6Å; C140-L168 PolarHBondContact O-N 3.2Å |
| 141 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 164.6 | 169.1 | 0 | 0 | 0 | 0 | 107.9 | V4 L6 L168 R169 M171 C376 Q379 C380 L383 | V4-V141 PolarHBondContact O-N 3.25Å; L6-V141 PolarHBondContact N-O 3.43Å; V141-L168 HydrophobicContact CG2-CB 4.27Å; V141-R169 WeakPolarHBondContact CA-O 3.22Å; V141-R169 HydrophobicContact CG1-CB 4.39Å; V141-R169 WeakPolarHBondContact CG1-O 3.37Å; V141-R169 HydrophobicContact CG2-CB 4.13Å; V141-M171 HydrophobicContact CG1-CB 3.84Å; V141-M171 HydrophobicContact CG1-SD 4.34Å; V141-C376 HydrophobicContact CB-CB 4.22Å; V141-C376 WeakPolarHBondContact CB-O 3.3Å; V141-C376 HydrophobicContact CG1-CB 3.81Å; V141-Q379 HydrophobicContact CG1-CB 4.26Å; V141-Q379 HydrophobicContact CG1-CG 4.17Å; V141-Q379 HydrophobicContact CG2-CG 4.23Å; V141-C380 HydrophobicContact CB-CB 4.13Å; V141-C380 HydrophobicContact CG2-CB 3.68Å; V141-L383 HydrophobicContact CG2-CD1 4.34Å |
| 142 | I | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.4 | -172.1 | -53.4 | 179.5 | 0 | 0 | 0 | 109.9 | L6 V8 L122 V156 A160 C167 R169 L170 M171 | L6-I142 HydrophobicContact CB-CG1 4.43Å; L6-I142 HydrophobicContact CD1-CG1 4.33Å; L6-I142 WeakPolarHBondContact O-CA 3.31Å; V8-I142 HydrophobicContact CG2-CG2 3.8Å; L122-I142 HydrophobicContact CD1-CD1 4.37Å; L122-I142 HydrophobicContact CD2-CD1 4.18Å; I142-V156 HydrophobicContact CG2-CG1 4.22Å; I142-A160 HydrophobicContact CD1-CB 3.85Å; I142-C167 HydrophobicContact CD1-CB 4.11Å; I142-R169 PolarHBondContact N-O 2.76Å; I142-L170 HydrophobicContact CB-CD2 4.02Å; I142-M171 PolarHBondContact O-N 3.2Å |
| 143 | S | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 139.6 | 175.9 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | L6 D7 V8 M171 D173 V372 | L6-S143 PolarHBondContact O-N 3.02Å; D7-S143 WeakPolarHBondContact CA-OG 3.26Å; D7-S143 WeakPolarHBondContact OD1-CB 3.36Å; D7-S143 PolarHBondContact OD1-OG 3.32Å; V8-S143 PolarHBondContact N-OG 2.88Å; S143-M171 WeakPolarHBondContact CA-O 3.4Å; S143-D173 VanDerWaalsContact CB-OD1 3.31Å; S143-D173 WeakPolarHBondContact CB-OD1 3.34Å; S143-V372 VanDerWaalsContact CB-CG1 3.47Å |
| 144 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145.2 | 168.9 | -69.1 | 0 | 0 | 0 | 0 | 110.4 | F148 V156 L170 M171 N172 D173 | V144-F148 HydrophobicContact CB-CB 4.46Å; V144-F148 HydrophobicContact CB-CD2 3.91Å; V144-F148 HydrophobicContact CB-CG 4.34Å; V144-F148 HydrophobicContact CG1-CD2 3.93Å; V144-F148 HydrophobicContact CG1-CE2 4.35Å; V144-V156 HydrophobicContact CG1-CB 4.48Å; V144-V156 HydrophobicContact CG1-CG1 4.23Å; V144-V156 HydrophobicContact CG1-CG2 4.25Å; V144-L170 HydrophobicContact CG1-CD1 4.32Å; V144-L170 HydrophobicContact CG1-CD2 4.14Å; V144-L170 HydrophobicContact CG2-CB 4.1Å; V144-M171 PolarHBondContact N-O 2.9Å; V144-N172 CarbonylContact O-C 3.59Å; V144-N172 VanDerWaalsContact O-CA 3.24Å; V144-N172 WeakPolarHBondContact O-CA 3.44Å; V144-D173 PolarHBondContact N-OD1 3.46Å; V144-D173 PolarHBondContact O-N 3.47Å |
| 145 | P | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | trans | -57 | 145 | 174.5 | -24.9 | 35.1 | 0 | 0 | 0 | 111.9 | F147 F148 R153 D173 Q209 | P145-F147 HydrophobicContact CB-CD1 3.77Å; P145-F147 HydrophobicContact CB-CD2 4.14Å; P145-F147 HydrophobicContact CB-CE1 3.42Å; P145-F147 VanDerWaalsContact CB-CE1 3.42Å; P145-F147 HydrophobicContact CB-CE2 3.81Å; P145-F147 HydrophobicContact CB-CG 4.12Å; P145-F147 HydrophobicContact CB-CZ 3.44Å; P145-F147 VanDerWaalsContact CB-CZ 3.44Å; P145-F147 HydrophobicContact CG-CE1 4.29Å; P145-F147 HydrophobicContact CG-CE2 4.26Å; P145-F147 HydrophobicContact CG-CZ 3.89Å; P145-F147 PolarHBondContact O-N 3.05Å; P145-F147 VanDerWaalsContact O-N 3.08Å; P145-F148 HydrophobicContact CB-CD1 3.91Å; P145-F148 HydrophobicContact CB-CE1 4.29Å; P145-F148 HydrophobicContact CG-CD1 3.76Å; P145-F148 HydrophobicContact CG-CE1 3.67Å; P145-F148 HydrophobicContact CG-CG 4.44Å; P145-F148 HydrophobicContact CG-CZ 4.28Å; P145-F148 WeakPolarHBondContact O-CB 3.47Å; P145-F148 PolarHBondContact O-N 2.85Å; P145-R153 PolarHBondContact O-NH2 3.06Å; P145-D173 VanDerWaalsContact CA-OD2 3.23Å; P145-D173 WeakPolarHBondContact CA-OD2 3.32Å; P145-Q209 VanDerWaalsContact CA-OE1 3.3Å | ||
| 146 | S | 94.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.8 | 177.8 | -75.3 | 0 | 0 | 0 | 0 | 112 | R153 T225 P399 | S146-R153 PolarHBondContact O-NH2 3.35Å; S146-T225 WeakPolarHBondContact CB-OG1 3.47Å; S146-T225 PolarHBondContact OG-OG1 2.87Å; S146-P399 WeakPolarHBondContact O-CG 3.11Å |
| 147 | F | 94.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.1 | -179.8 | 61.5 | -102.2 | 0 | 0 | 0 | 115.7 | P145 T149 Q209 F227 P229 F400 P453 | P145-F147 HydrophobicContact CB-CD1 3.77Å; P145-F147 HydrophobicContact CB-CD2 4.14Å; P145-F147 HydrophobicContact CB-CE1 3.42Å; P145-F147 VanDerWaalsContact CB-CE1 3.42Å; P145-F147 HydrophobicContact CB-CE2 3.81Å; P145-F147 HydrophobicContact CB-CG 4.12Å; P145-F147 HydrophobicContact CB-CZ 3.44Å; P145-F147 VanDerWaalsContact CB-CZ 3.44Å; P145-F147 HydrophobicContact CG-CE1 4.29Å; P145-F147 HydrophobicContact CG-CE2 4.26Å; P145-F147 HydrophobicContact CG-CZ 3.89Å; P145-F147 PolarHBondContact O-N 3.05Å; P145-F147 VanDerWaalsContact O-N 3.08Å; F147-T149 PolarHBondContact O-N 3.3Å; F147-Q209 HydrophobicContact CD1-CG 4.39Å; F147-Q209 HydrophobicContact CE1-CG 4.16Å; F147-F227 HydrophobicContact CB-CD1 3.79Å; F147-F227 HydrophobicContact CB-CD2 3.59Å; F147-F227 HydrophobicContact CB-CE1 3.73Å; F147-F227 HydrophobicContact CB-CE2 3.52Å; F147-F227 HydrophobicContact CB-CG 3.73Å; F147-F227 HydrophobicContact CB-CZ 3.59Å; F147-F227 HydrophobicContact CD1-CB 3.93Å; F147-F227 HydrophobicContact CD1-CD1 4.37Å; F147-F227 HydrophobicContact CD1-CD2 4.22Å; F147-F227 AromaticContact CD1-CG 3.89Å; F147-F227 HydrophobicContact CD1-CG 3.89Å; F147-F227 HydrophobicContact CG-CD2 4.21Å; F147-F227 HydrophobicContact CG-CG 4.24Å; F147-P229 HydrophobicContact CD1-CB 4.2Å; F147-P229 HydrophobicContact CD2-CB 4.03Å; F147-P229 HydrophobicContact CE1-CB 4.05Å; F147-P229 HydrophobicContact CE2-CB 3.9Å; F147-P229 HydrophobicContact CG-CB 4.19Å; F147-P229 HydrophobicContact CZ-CB 3.9Å; F147-F400 HydrophobicContact CB-CZ 4.21Å; F147-F400 VanDerWaalsContact O-CE2 3.31Å; F147-F400 WeakPolarHBondContact O-CE2 3.43Å; F147-F400 VanDerWaalsContact O-CZ 3.29Å; F147-F400 WeakPolarHBondContact O-CZ 3.49Å; F147-P453 HydrophobicContact CB-CG 4.28Å; F147-P453 HydrophobicContact CD2-CG 4.27Å |
| 148 | F | 95.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | trans | -64 | 127.7 | 175.8 | -93.6 | 25.6 | 0 | 0 | 0 | 110.8 | K68 V144 P145 E152 R153 V156 | K68-F148 HydrophobicContact CG-CZ 4.06Å; V144-F148 HydrophobicContact CB-CB 4.46Å; V144-F148 HydrophobicContact CB-CD2 3.91Å; V144-F148 HydrophobicContact CB-CG 4.34Å; V144-F148 HydrophobicContact CG1-CD2 3.93Å; V144-F148 HydrophobicContact CG1-CE2 4.35Å; P145-F148 HydrophobicContact CB-CD1 3.91Å; P145-F148 HydrophobicContact CB-CE1 4.29Å; P145-F148 HydrophobicContact CG-CD1 3.76Å; P145-F148 HydrophobicContact CG-CE1 3.67Å; P145-F148 HydrophobicContact CG-CG 4.44Å; P145-F148 HydrophobicContact CG-CZ 4.28Å; P145-F148 WeakPolarHBondContact O-CB 3.47Å; P145-F148 PolarHBondContact O-N 2.85Å; F148-E152 HydrophobicContact CB-CB 4.04Å; F148-E152 HydrophobicContact CD1-CB 4.33Å; F148-E152 HydrophobicContact CD2-CB 3.73Å; F148-E152 HydrophobicContact CE2-CB 4.18Å; F148-E152 HydrophobicContact CG-CB 3.8Å; F148-R153 HydrophobicContact CB-CG 4.09Å; F148-R153 PolarHBondContact O-NE 3.13Å; F148-R153 PolarHBondContact O-NH2 3.39Å; F148-V156 HydrophobicContact CD2-CG2 4.43Å; F148-V156 HydrophobicContact CE2-CG2 3.96Å | ||
| 149 | T | 95.2 | Very high | 97 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.012 | 3% | 0.03 | C | C | . | . | trans | -70.1 | 173.7 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | F147 A151 E152 R153 F400 Y446 V452 Y454 | F147-T149 PolarHBondContact O-N 3.3Å; T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 2.97Å; T149-E152 WeakPolarHBondContact CB-OE2 3.48Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.38Å; T149-E152 PolarHBondContact N-OE2 3.02Å; T149-E152 PolarHBondContact O-N 3.08Å; T149-E152 WeakPolarHBondContact OG1-CB 3.5Å; T149-E152 WeakPolarHBondContact OG1-CG 3.36Å; T149-E152 PolarHBondContact OG1-N 3.11Å; T149-E152 PolarHBondContact OG1-OE2 2.74Å; T149-R153 WeakPolarHBondContact O-CB 3.43Å; T149-R153 WeakPolarHBondContact O-CD 3.45Å; T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.02Å; T149-F400 HydrophobicContact CG2-CE2 4.19Å; T149-Y446 HydrophobicContact CG2-CE2 4.19Å; T149-V452 HydrophobicContact CG2-CG1 3.62Å; T149-Y454 HydrophobicContact CG2-CD1 4.4Å | ||
| 150 | D | 95.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 5 Ų | 5 | 3% | 0.032 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 177.2 | -165.4 | -93.8 | 0 | 0 | 0 | 111.6 | R153 R154 Y446 I459 I489 F490 | D150-R153 PolarHBondContact O-N 2.76Å; D150-R154 WeakPolarHBondContact O-CG 3.29Å; D150-R154 PolarHBondContact O-N 3.38Å; D150-R154 IonicContact OD1-CZ 3.11Å; D150-R154 IonicContact OD1-NE 3.29Å; D150-R154 PolarHBondContact OD1-NE 2.99Å; D150-R154 IonicContact OD1-NH2 2.68Å; D150-R154 PolarHBondContact OD1-NH2 2.81Å; D150-R154 IonicContact OD2-NH2 2.73Å; D150-Y446 WeakPolarHBondContact CB-OH 3.26Å; D150-Y446 PolarHBondContact N-OH 3.25Å; D150-I459 HydrophobicContact CB-CG1 4.41Å; D150-I459 HydrophobicContact CB-CG2 3.86Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.42Å; D150-I489 VanDerWaalsContact OD2-CA 3.25Å; D150-I489 WeakPolarHBondContact OD2-CA 3.19Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.49Å; D150-F490 PolarHBondContact OD2-N 3.06Å |
| 151 | A | 94.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 9.7 Ų | 9.7 | 7% | 0.066 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.3 | -48.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T149 R153 R154 S155 W605 | T149-A151 VanDerWaalsContact C-N 3.33Å; T149-A151 PolarHBondContact O-N 2.97Å; A151-R153 VanDerWaalsContact C-N 3.27Å; A151-R153 PolarHBondContact O-N 2.94Å; A151-R154 PolarHBondContact O-N 3.08Å; A151-S155 WeakPolarHBondContact O-CB 3.45Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-W605 HydrophobicContact CB-CB 4.28Å |
| 152 | E | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | 175.2 | -79.4 | 160.2 | 144.4 | 0 | 0 | 111.3 | H71 R73 F148 T149 V156 | H71-E152 HydrophobicContact CB-CG 4.43Å; H71-E152 WeakPolarHBondContact O-CG 3.29Å; R73-E152 IonicContact CZ-OE1 3.69Å; R73-E152 IonicContact NE-OE1 3.8Å; R73-E152 PolarHBondContact NE-OE1 3.31Å; R73-E152 IonicContact NH2-OE1 2.69Å; R73-E152 PolarHBondContact NH2-OE1 2.91Å; F148-E152 HydrophobicContact CB-CB 4.04Å; F148-E152 HydrophobicContact CD1-CB 4.33Å; F148-E152 HydrophobicContact CD2-CB 3.73Å; F148-E152 HydrophobicContact CE2-CB 4.18Å; F148-E152 HydrophobicContact CG-CB 3.8Å; T149-E152 WeakPolarHBondContact CB-OE2 3.48Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.38Å; T149-E152 PolarHBondContact N-OE2 3.02Å; T149-E152 PolarHBondContact O-N 3.08Å; T149-E152 WeakPolarHBondContact OG1-CB 3.5Å; T149-E152 WeakPolarHBondContact OG1-CG 3.36Å; T149-E152 PolarHBondContact OG1-N 3.11Å; T149-E152 PolarHBondContact OG1-OE2 2.74Å; E152-V156 WeakPolarHBondContact O-CG2 3.43Å; E152-V156 PolarHBondContact O-N 2.78Å |
| 153 | R | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 10.6 Ų | 10.6 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.8 | -71.4 | 168 | -169.1 | -88.3 | -13 | 113 | P145 S146 F148 T149 D150 A151 V156 L157 L170 N172 H487 I489 | P145-R153 PolarHBondContact O-NH2 3.06Å; S146-R153 PolarHBondContact O-NH2 3.35Å; F148-R153 HydrophobicContact CB-CG 4.09Å; F148-R153 PolarHBondContact O-NE 3.13Å; F148-R153 PolarHBondContact O-NH2 3.39Å; T149-R153 WeakPolarHBondContact O-CB 3.43Å; T149-R153 WeakPolarHBondContact O-CD 3.45Å; T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.02Å; D150-R153 PolarHBondContact O-N 2.76Å; A151-R153 VanDerWaalsContact C-N 3.27Å; A151-R153 PolarHBondContact O-N 2.94Å; R153-V156 PolarHBondContact O-N 2.75Å; R153-L157 PolarHBondContact O-N 3.01Å; R153-L157 VanDerWaalsContact O-N 3.09Å; R153-L170 HydrophobicContact CB-CD1 3.75Å; R153-L170 HydrophobicContact CG-CD1 4.08Å; R153-L170 WeakPolarHBondContact O-CD1 3.26Å; R153-N172 PolarHBondContact NH1-OD1 3.37Å; R153-N172 PolarHBondContact NH2-OD1 3.44Å; R153-H487 WeakPolarHBondContact CD-O 3.15Å; R153-H487 PolarHBondContact NH1-O 3.44Å; R153-I489 HydrophobicContact CB-CD1 3.75Å; R153-I489 HydrophobicContact CB-CG1 3.74Å |
| 154 | R | 97.1 | Very high | 97 | Very high | 17 Ų | 17 | 13 Ų | 13 | 6% | 0.064 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 175 | -73.2 | 175.8 | -158.4 | -79.7 | -4.5 | 111.5 | D150 A151 V156 L157 D158 I489 F490 Q606 | D150-R154 WeakPolarHBondContact O-CG 3.29Å; D150-R154 PolarHBondContact O-N 3.38Å; D150-R154 IonicContact OD1-CZ 3.11Å; D150-R154 IonicContact OD1-NE 3.29Å; D150-R154 PolarHBondContact OD1-NE 2.99Å; D150-R154 IonicContact OD1-NH2 2.68Å; D150-R154 PolarHBondContact OD1-NH2 2.81Å; D150-R154 IonicContact OD2-NH2 2.73Å; A151-R154 PolarHBondContact O-N 3.08Å; R154-V156 VanDerWaalsContact C-N 3.26Å; R154-V156 PolarHBondContact O-N 2.76Å; R154-L157 WeakPolarHBondContact O-CA 2.96Å; R154-L157 WeakPolarHBondContact O-CB 3.49Å; R154-L157 PolarHBondContact O-N 2.78Å; R154-D158 PolarHBondContact O-N 3.13Å; R154-I489 HydrophobicContact CG-CD1 4.18Å; R154-I489 VanDerWaalsContact NH2-CG2 3.28Å; R154-F490 PolarHBondContact NH2-O 3.02Å; R154-Q606 HydrophobicContact CB-CB 4.46Å; R154-Q606 HydrophobicContact CB-CG 4.33Å |
| 155 | S | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.8 | -35.2 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | H71 G72 E115 A151 A159 | H71-S155 WeakPolarHBondContact CA-OG 3.43Å; H71-S155 PolarHBondContact ND1-OG 3.21Å; G72-S155 VanDerWaalsContact N-CB 3.31Å; G72-S155 PolarHBondContact N-OG 3Å; G72-S155 VanDerWaalsContact N-OG 3.1Å; E115-S155 WeakPolarHBondContact CG-O 3.49Å; E115-S155 WeakPolarHBondContact OE1-CB 3.46Å; E115-S155 PolarHBondContact OE1-OG 2.94Å; A151-S155 WeakPolarHBondContact O-CB 3.45Å; A151-S155 PolarHBondContact O-N 3.18Å; S155-A159 WeakPolarHBondContact O-CB 3.34Å; S155-A159 PolarHBondContact O-N 3.15Å; S155-A159 VanDerWaalsContact O-N 3.13Å |
| 156 | V | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.9 | -36.6 | 171.8 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | I142 V144 F148 E152 R153 R154 A159 A160 L170 | I142-V156 HydrophobicContact CG2-CG1 4.22Å; V144-V156 HydrophobicContact CG1-CB 4.48Å; V144-V156 HydrophobicContact CG1-CG1 4.23Å; V144-V156 HydrophobicContact CG1-CG2 4.25Å; F148-V156 HydrophobicContact CD2-CG2 4.43Å; F148-V156 HydrophobicContact CE2-CG2 3.96Å; E152-V156 WeakPolarHBondContact O-CG2 3.43Å; E152-V156 PolarHBondContact O-N 2.78Å; R153-V156 PolarHBondContact O-N 2.75Å; R154-V156 VanDerWaalsContact C-N 3.26Å; R154-V156 PolarHBondContact O-N 2.76Å; V156-A159 PolarHBondContact O-N 3.22Å; V156-A160 PolarHBondContact O-N 2.7Å; V156-L170 HydrophobicContact CB-CD2 4.43Å; V156-L170 HydrophobicContact CG1-CD2 3.76Å |
| 157 | L | 98.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 17.8 Ų | 17.8 | 22% | 0.22 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | 174.5 | -73.9 | 178.7 | 0 | 0 | 0 | 112.2 | R153 R154 A159 A160 Q161 C167 L170 I489 | R153-L157 PolarHBondContact O-N 3.01Å; R153-L157 VanDerWaalsContact O-N 3.09Å; R154-L157 WeakPolarHBondContact O-CA 2.96Å; R154-L157 WeakPolarHBondContact O-CB 3.49Å; R154-L157 PolarHBondContact O-N 2.78Å; L157-A159 VanDerWaalsContact C-N 3.29Å; L157-A159 PolarHBondContact O-N 3.02Å; L157-A160 PolarHBondContact O-N 3.33Å; L157-A160 VanDerWaalsContact O-N 3.14Å; L157-Q161 PolarHBondContact O-N 3.44Å; L157-C167 HydrophobicContact CD2-CB 3.84Å; L157-L170 HydrophobicContact CD1-CD1 4.49Å; L157-L170 HydrophobicContact CD2-CD1 4.19Å; L157-L170 HydrophobicContact CD2-CD2 4.15Å; L157-L170 HydrophobicContact CD2-CG 3.88Å; L157-L170 HydrophobicContact CG-CD1 3.9Å; L157-L170 HydrophobicContact CG-CG 4.16Å; L157-I489 HydrophobicContact CD1-CD1 3.52Å; L157-I489 HydrophobicContact CG-CD1 4.49Å |
| 158 | D | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 176.2 | -67.5 | -5 | 0 | 0 | 0 | 109.5 | E115 R154 A160 Q161 I162 Q606 L607 L612 | E115-D158 HydrophobicContact CG-CB 4.25Å; R154-D158 PolarHBondContact O-N 3.13Å; D158-A160 PolarHBondContact O-N 3.05Å; D158-Q161 PolarHBondContact O-N 3.23Å; D158-I162 WeakPolarHBondContact O-CG1 3.36Å; D158-I162 PolarHBondContact O-N 3.03Å; D158-Q606 PolarHBondContact OD1-NE2 3.02Å; D158-Q606 WeakPolarHBondContact OD2-CG 3.33Å; D158-L607 HydrophobicContact CB-CD1 4.15Å; D158-L607 HydrophobicContact CB-CG 4.33Å; D158-L607 WeakPolarHBondContact OD2-CB 3.35Å; D158-L607 WeakPolarHBondContact OD2-CG 3.45Å; D158-L607 PolarHBondContact OD2-N 3.39Å; D158-L612 HydrophobicContact CB-CD1 4.26Å |
| 159 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | E115 T118 L122 S155 V156 L157 I162 | E115-A159 HydrophobicContact CB-CB 4.29Å; E115-A159 WeakPolarHBondContact O-CB 3.46Å; T118-A159 HydrophobicContact CG2-CB 3.86Å; L122-A159 HydrophobicContact CD1-CB 4.27Å; S155-A159 WeakPolarHBondContact O-CB 3.34Å; S155-A159 PolarHBondContact O-N 3.15Å; S155-A159 VanDerWaalsContact O-N 3.13Å; V156-A159 PolarHBondContact O-N 3.22Å; L157-A159 VanDerWaalsContact C-N 3.29Å; L157-A159 PolarHBondContact O-N 3.02Å; A159-I162 PolarHBondContact O-N 2.91Å |
| 160 | A | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L122 I142 V156 L157 D158 V163 G164 L165 C167 | L122-A160 HydrophobicContact CD1-CB 4.15Å; I142-A160 HydrophobicContact CD1-CB 3.85Å; V156-A160 PolarHBondContact O-N 2.7Å; L157-A160 PolarHBondContact O-N 3.33Å; L157-A160 VanDerWaalsContact O-N 3.14Å; D158-A160 PolarHBondContact O-N 3.05Å; A160-V163 VanDerWaalsContact O-CG2 3.22Å; A160-V163 WeakPolarHBondContact O-CG2 3.22Å; A160-V163 PolarHBondContact O-N 2.56Å; A160-G164 PolarHBondContact O-N 2.71Å; A160-L165 HydrophobicContact CB-CB 4.33Å; A160-L165 PolarHBondContact O-N 2.98Å; A160-C167 HydrophobicContact CB-CB 4.11Å |
| 161 | Q | 98.1 | Very high | 97.5 | Very high | 100 Ų | 100 | 19.9 Ų | 19.9 | 47% | 0.467 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -67.6 | -34.4 | 176 | -175.2 | 169.8 | -25.8 | 0 | 0 | 112.3 | L157 D158 V163 G164 L612 I616 | L157-Q161 PolarHBondContact O-N 3.44Å; D158-Q161 PolarHBondContact O-N 3.23Å; Q161-V163 PolarHBondContact O-N 3.12Å; Q161-G164 PolarHBondContact O-N 3.37Å; Q161-L612 HydrophobicContact CG-CD2 4.19Å; Q161-I616 HydrophobicContact CG-CD1 4.45Å |
| 162 | I | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.4 | -38.6 | 175.8 | -69 | 167 | 0 | 0 | 0 | 112 | E115 Q116 A119 D158 A159 L612 Y615 E619 | E115-I162 HydrophobicContact CB-CD1 4.01Å; Q116-I162 HydrophobicContact CG-CD1 4.35Å; A119-I162 HydrophobicContact CB-CB 3.7Å; A119-I162 HydrophobicContact CB-CD1 4.19Å; A119-I162 HydrophobicContact CB-CG2 3.49Å; A119-I162 VanDerWaalsContact CB-CG2 3.49Å; D158-I162 WeakPolarHBondContact O-CG1 3.36Å; D158-I162 PolarHBondContact O-N 3.03Å; A159-I162 PolarHBondContact O-N 2.91Å; I162-L612 HydrophobicContact CD1-CD1 4.29Å; I162-L612 HydrophobicContact CG1-CD1 3.64Å; I162-Y615 HydrophobicContact CD1-CD2 3.98Å; I162-Y615 HydrophobicContact CD1-CG 4.35Å; I162-E619 HydrophobicContact CG2-CB 3.61Å; I162-E619 HydrophobicContact CG2-CG 3.98Å |
| 163 | V | 97.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.5 | -179.9 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | A119 L122 T123 K126 A160 Q161 L165 E619 | A119-V163 HydrophobicContact CB-CG1 3.82Å; A119-V163 WeakPolarHBondContact O-CG1 3.35Å; L122-V163 HydrophobicContact CB-CG1 4.35Å; L122-V163 HydrophobicContact CB-CG2 3.96Å; T123-V163 WeakPolarHBondContact OG1-CG1 3.39Å; K126-V163 PolarHBondContact NZ-O 2.95Å; A160-V163 VanDerWaalsContact O-CG2 3.22Å; A160-V163 WeakPolarHBondContact O-CG2 3.22Å; A160-V163 PolarHBondContact O-N 2.56Å; Q161-V163 PolarHBondContact O-N 3.12Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 HydrophobicContact CG2-CB 3.96Å; V163-L165 HydrophobicContact CG2-CD1 3.68Å; V163-L165 HydrophobicContact CG2-CG 3.67Å; V163-L165 PolarHBondContact O-N 2.98Å; V163-E619 HydrophobicContact CG1-CG 4.3Å |
| 164 | G | 96.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 20 Ų | 20 | 53% | 0.526 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 33.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A160 Q161 | A160-G164 PolarHBondContact O-N 2.71Å; Q161-G164 PolarHBondContact O-N 3.37Å |
| 165 | L | 97.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | trans | -93.7 | 118.6 | 170.9 | -77.1 | 175.7 | 0 | 0 | 0 | 110.5 | L6 L122 K126 V137 A160 V163 C167 | L6-L165 HydrophobicContact CD1-CD1 4.3Å; L122-L165 HydrophobicContact CB-CD1 4.35Å; K126-L165 HydrophobicContact CB-CD1 4.46Å; K126-L165 HydrophobicContact CD-CD2 4Å; K126-L165 HydrophobicContact CD-CG 4.18Å; K126-L165 HydrophobicContact CG-CD2 4.27Å; V137-L165 HydrophobicContact CG1-CD2 3.95Å; V137-L165 WeakPolarHBondContact O-CD2 3.5Å; A160-L165 HydrophobicContact CB-CB 4.33Å; A160-L165 PolarHBondContact O-N 2.98Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 HydrophobicContact CG2-CB 3.96Å; V163-L165 HydrophobicContact CG2-CD1 3.68Å; V163-L165 HydrophobicContact CG2-CG 3.67Å; V163-L165 PolarHBondContact O-N 2.98Å; L165-C167 PolarHBondContact O-N 3.22Å | ||
| 166 | N | 96.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 19.3 Ų | 19.3 | 47% | 0.471 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 92.9 | 166.9 | -177.4 | 28.1 | 0 | 0 | 0 | 109.6 | T138 D139 C140 L168 | T138-N166 WeakPolarHBondContact O-CB 3.24Å; T138-N166 PolarHBondContact O-N 2.86Å; D139-N166 WeakPolarHBondContact CA-O 3.39Å; D139-N166 PolarHBondContact OD1-ND2 3.09Å; C140-N166 PolarHBondContact N-O 2.88Å; N166-L168 VanDerWaalsContact ND2-CD2 3.34Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.29Å; N166-L168 PolarHBondContact O-N 3.01Å |
| 167 | C | 97.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 19 Ų | 19 | 7% | 0.068 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 90.2 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | C140 I142 L157 A160 L165 R169 H487 | C140-C167 CarbonylContact O-C 3.6Å; I142-C167 HydrophobicContact CD1-CB 4.11Å; L157-C167 HydrophobicContact CD2-CB 3.84Å; A160-C167 HydrophobicContact CB-CB 4.11Å; L165-C167 PolarHBondContact O-N 3.22Å; C167-R169 PolarHBondContact O-N 3.47Å; C167-R169 VanDerWaalsContact O-N 3.13Å; C167-R169 VanDerWaalsContact SG-C 3.57Å; C167-R169 PolarHBondContact SG-O 2.92Å; C167-R169 VanDerWaalsContact SG-O 3.38Å; C167-H487 PolarHBondContact O-CE1 2.94Å |
| 168 | L | 97.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 17 Ų | 17 | 20% | 0.204 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | -31.7 | -178.1 | -61.8 | 178.8 | 0 | 0 | 0 | 113.3 | D139 C140 V141 N166 L383 | D139-L168 HydrophobicContact CB-CD1 4.05Å; D139-L168 HydrophobicContact CB-CD2 4.4Å; D139-L168 HydrophobicContact CB-CG 4.14Å; C140-L168 PolarHBondContact O-N 3.2Å; V141-L168 HydrophobicContact CG2-CB 4.27Å; N166-L168 VanDerWaalsContact ND2-CD2 3.34Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.29Å; N166-L168 PolarHBondContact O-N 3.01Å; L168-L383 HydrophobicContact CB-CD1 3.95Å; L168-L383 HydrophobicContact CD1-CB 4.06Å |
| 169 | R | 97.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 6% | 0.057 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 135.3 | 175 | -176.8 | 164.5 | -171.7 | -163.5 | -2.1 | 110 | V141 I142 C167 L383 D396 T486 | V141-R169 WeakPolarHBondContact CA-O 3.22Å; V141-R169 HydrophobicContact CG1-CB 4.39Å; V141-R169 WeakPolarHBondContact CG1-O 3.37Å; V141-R169 HydrophobicContact CG2-CB 4.13Å; I142-R169 PolarHBondContact N-O 2.76Å; C167-R169 PolarHBondContact O-N 3.47Å; C167-R169 VanDerWaalsContact O-N 3.13Å; C167-R169 VanDerWaalsContact SG-C 3.57Å; C167-R169 PolarHBondContact SG-O 2.92Å; C167-R169 VanDerWaalsContact SG-O 3.38Å; R169-L383 HydrophobicContact CB-CD1 3.88Å; R169-D396 IonicContact NH2-OD2 2.69Å; R169-T486 WeakPolarHBondContact CG-O 3.49Å; R169-T486 PolarHBondContact NE-O 3.28Å |
| 170 | L | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126 | 154.5 | -66.9 | -177.5 | 0 | 0 | 0 | 107.7 | I142 V144 R153 V156 L157 H487 | I142-L170 HydrophobicContact CB-CD2 4.02Å; V144-L170 HydrophobicContact CG1-CD1 4.32Å; V144-L170 HydrophobicContact CG1-CD2 4.14Å; V144-L170 HydrophobicContact CG2-CB 4.1Å; R153-L170 HydrophobicContact CB-CD1 3.75Å; R153-L170 HydrophobicContact CG-CD1 4.08Å; R153-L170 WeakPolarHBondContact O-CD1 3.26Å; V156-L170 HydrophobicContact CB-CD2 4.43Å; V156-L170 HydrophobicContact CG1-CD2 3.76Å; L157-L170 HydrophobicContact CD1-CD1 4.49Å; L157-L170 HydrophobicContact CD2-CD1 4.19Å; L157-L170 HydrophobicContact CD2-CD2 4.15Å; L157-L170 HydrophobicContact CD2-CG 3.88Å; L157-L170 HydrophobicContact CG-CD1 3.9Å; L157-L170 HydrophobicContact CG-CG 4.16Å; L170-H487 HydrophobicContact CB-CB 4Å; L170-H487 HydrophobicContact CD1-CB 4.44Å; L170-H487 HydrophobicContact CG-CB 4.3Å; L170-H487 PolarHBondContact N-ND1 2.88Å |
| 171 | M | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130 | -175.4 | -164.4 | 170.5 | -163.2 | 0 | 0 | 109.9 | V141 I142 S143 V144 D173 T175 A176 L179 Q379 | V141-M171 HydrophobicContact CG1-CB 3.84Å; V141-M171 HydrophobicContact CG1-SD 4.34Å; I142-M171 PolarHBondContact O-N 3.2Å; S143-M171 WeakPolarHBondContact CA-O 3.4Å; V144-M171 PolarHBondContact N-O 2.9Å; M171-D173 PolarHBondContact O-N 2.87Å; M171-T175 HydrophobicContact CE-CG2 4.02Å; M171-A176 HydrophobicContact CE-CB 4.32Å; M171-A176 HydrophobicContact CG-CB 4.06Å; M171-A176 HydrophobicContact SD-CB 3.71Å; M171-L179 HydrophobicContact CE-CB 4.07Å; M171-L179 HydrophobicContact CE-CD2 3.82Å; M171-Q379 HydrophobicContact CE-CB 3.93Å; M171-Q379 HydrophobicContact CE-CG 4.12Å; M171-Q379 HydrophobicContact SD-CB 3.51Å; M171-Q379 VanDerWaalsContact SD-CB 3.51Å; M171-Q379 HydrophobicContact SD-CG 3.77Å |
| 172 | N | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 130.7 | 173.2 | -70.5 | -19.2 | 0 | 0 | 0 | 109.3 | V144 R153 M174 T175 A176 D396 | V144-N172 CarbonylContact O-C 3.59Å; V144-N172 VanDerWaalsContact O-CA 3.24Å; V144-N172 WeakPolarHBondContact O-CA 3.44Å; R153-N172 PolarHBondContact NH1-OD1 3.37Å; R153-N172 PolarHBondContact NH2-OD1 3.44Å; N172-M174 PolarHBondContact O-N 3.49Å; N172-M174 VanDerWaalsContact O-N 3.15Å; N172-T175 WeakPolarHBondContact O-CA 3.41Å; N172-T175 WeakPolarHBondContact O-CB 3.5Å; N172-T175 PolarHBondContact O-N 3.04Å; N172-A176 PolarHBondContact O-N 3.06Å; N172-D396 PolarHBondContact ND2-OD1 2.83Å; N172-D396 PolarHBondContact ND2-OD2 2.86Å |
| 173 | D | 96.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.059 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -47 | -49.2 | -177.3 | -56.6 | -23.2 | 0 | 0 | 0 | 111.3 | S143 V144 P145 M171 T175 A176 V177 Q209 V372 | S143-D173 VanDerWaalsContact CB-OD1 3.31Å; S143-D173 WeakPolarHBondContact CB-OD1 3.34Å; V144-D173 PolarHBondContact N-OD1 3.46Å; V144-D173 PolarHBondContact O-N 3.47Å; P145-D173 VanDerWaalsContact CA-OD2 3.23Å; P145-D173 WeakPolarHBondContact CA-OD2 3.32Å; M171-D173 PolarHBondContact O-N 2.87Å; D173-T175 VanDerWaalsContact C-N 3.35Å; D173-T175 PolarHBondContact O-N 2.97Å; D173-A176 WeakPolarHBondContact O-CB 3.46Å; D173-A176 PolarHBondContact O-N 2.99Å; D173-V177 WeakPolarHBondContact O-CG2 3.32Å; D173-V177 PolarHBondContact O-N 2.6Å; D173-Q209 PolarHBondContact OD2-NE2 2.89Å; D173-V372 HydrophobicContact CB-CG1 4.41Å; D173-V372 HydrophobicContact CB-CG2 4.45Å |
| 174 | M | 95.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.3 | -33 | 179.8 | -54.4 | -50.1 | -74.4 | 0 | 0 | 113.6 | N172 A178 F200 D202 Q209 | N172-M174 PolarHBondContact O-N 3.49Å; N172-M174 VanDerWaalsContact O-N 3.15Å; M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.47Å; M174-A178 PolarHBondContact O-N 2.89Å; M174-F200 HydrophobicContact CE-CB 3.61Å; M174-F200 WeakPolarHBondContact CE-O 3.48Å; M174-D202 HydrophobicContact CE-CB 4.01Å; M174-D202 HydrophobicContact SD-CB 3.42Å; M174-D202 WeakPolarHBondContact SD-CB 3.4Å; M174-Q209 WeakPolarHBondContact CE-O 3.38Å; M174-Q209 HydrophobicContact CG-CB 3.97Å; M174-Q209 HydrophobicContact SD-CB 3.75Å |
| 175 | T | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -74.3 | -33.5 | 176.3 | -51.8 | 0 | 0 | 0 | 0 | 111 | M171 N172 D173 A178 L179 L220 V222 V394 D396 | M171-T175 HydrophobicContact CE-CG2 4.02Å; N172-T175 WeakPolarHBondContact O-CA 3.41Å; N172-T175 WeakPolarHBondContact O-CB 3.5Å; N172-T175 PolarHBondContact O-N 3.04Å; D173-T175 VanDerWaalsContact C-N 3.35Å; D173-T175 PolarHBondContact O-N 2.97Å; T175-A178 PolarHBondContact O-N 2.8Å; T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 PolarHBondContact O-N 3.01Å; T175-L220 HydrophobicContact CG2-CD1 4.4Å; T175-V222 HydrophobicContact CG2-CG2 4.39Å; T175-V394 HydrophobicContact CG2-CG1 3.49Å; T175-V394 VanDerWaalsContact CG2-CG1 3.49Å; T175-D396 WeakPolarHBondContact CB-OD2 3.28Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.16Å; T175-D396 VanDerWaalsContact OG1-CG 3.22Å; T175-D396 PolarHBondContact OG1-OD1 3.04Å; T175-D396 PolarHBondContact OG1-OD2 3.32Å |
| 176 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M171 N172 D173 A178 L179 N180 V372 G375 | M171-A176 HydrophobicContact CE-CB 4.32Å; M171-A176 HydrophobicContact CG-CB 4.06Å; M171-A176 HydrophobicContact SD-CB 3.71Å; N172-A176 PolarHBondContact O-N 3.06Å; D173-A176 WeakPolarHBondContact O-CB 3.46Å; D173-A176 PolarHBondContact O-N 2.99Å; A176-A178 VanDerWaalsContact C-N 3.33Å; A176-A178 PolarHBondContact O-N 3.41Å; A176-L179 PolarHBondContact O-N 3.18Å; A176-N180 WeakPolarHBondContact O-CB 3.36Å; A176-N180 PolarHBondContact O-N 2.76Å; A176-V372 HydrophobicContact CB-CG1 4.24Å; A176-G375 VanDerWaalsContact O-CA 3.26Å; A176-G375 WeakPolarHBondContact O-CA 3.17Å |
| 177 | V | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 111 | D173 L179 N180 Y181 F200 V341 L366 A371 V372 | D173-V177 WeakPolarHBondContact O-CG2 3.32Å; D173-V177 PolarHBondContact O-N 2.6Å; V177-L179 PolarHBondContact O-N 3.42Å; V177-N180 PolarHBondContact O-N 3.35Å; V177-Y181 PolarHBondContact O-N 3.39Å; V177-F200 HydrophobicContact CG1-CB 4.49Å; V177-F200 HydrophobicContact CG1-CD1 3.64Å; V177-F200 HydrophobicContact CG1-CE1 4.21Å; V177-F200 HydrophobicContact CG1-CG 4.22Å; V177-V341 HydrophobicContact CG1-CG1 3.9Å; V177-V341 HydrophobicContact CG1-CG2 4.2Å; V177-V341 HydrophobicContact CG2-CG2 4.05Å; V177-L366 HydrophobicContact CG1-CD1 3.53Å; V177-A371 HydrophobicContact CG2-CB 4.13Å; V177-V372 HydrophobicContact CG2-CG2 3.68Å |
| 178 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M174 T175 A176 G182 F200 C213 F215 L220 | M174-A178 VanDerWaalsContact O-CB 3.27Å; M174-A178 WeakPolarHBondContact O-CB 3.47Å; M174-A178 PolarHBondContact O-N 2.89Å; T175-A178 PolarHBondContact O-N 2.8Å; A176-A178 VanDerWaalsContact C-N 3.33Å; A176-A178 PolarHBondContact O-N 3.41Å; A178-G182 PolarHBondContact O-N 2.95Å; A178-F200 HydrophobicContact CB-CD2 3.87Å; A178-F200 HydrophobicContact CB-CE2 3.49Å; A178-F200 VanDerWaalsContact CB-CE2 3.49Å; A178-F200 HydrophobicContact CB-CZ 4.08Å; A178-C213 HydrophobicContact CB-CB 4.49Å; A178-F215 HydrophobicContact CB-CZ 4.06Å; A178-F215 WeakPolarHBondContact O-CE1 3.48Å; A178-F215 WeakPolarHBondContact O-CZ 3.41Å; A178-L220 HydrophobicContact CB-CD1 4.46Å; A178-L220 HydrophobicContact CB-CD2 3.87Å |
| 179 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.9 | -45.7 | 173.8 | 174.3 | 60.1 | 0 | 0 | 0 | 111.4 | M171 T175 A176 V177 Y181 G182 I183 L220 L378 Q379 I382 F392 V394 | M171-L179 HydrophobicContact CE-CB 4.07Å; M171-L179 HydrophobicContact CE-CD2 3.82Å; T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 PolarHBondContact O-N 3.01Å; A176-L179 PolarHBondContact O-N 3.18Å; V177-L179 PolarHBondContact O-N 3.42Å; L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 2.81Å; L179-G182 PolarHBondContact O-N 3.14Å; L179-I183 HydrophobicContact CD1-CB 4.35Å; L179-I183 WeakPolarHBondContact O-CG2 3.31Å; L179-I183 PolarHBondContact O-N 3.27Å; L179-L220 HydrophobicContact CB-CD2 4.13Å; L179-L378 HydrophobicContact CD2-CB 3.84Å; L179-L378 HydrophobicContact CG-CB 4.17Å; L179-L378 HydrophobicContact CG-CD1 4.42Å; L179-Q379 HydrophobicContact CD2-CB 3.89Å; L179-I382 HydrophobicContact CD1-CD1 4.12Å; L179-I382 HydrophobicContact CD2-CD1 3.98Å; L179-F392 HydrophobicContact CD1-CB 4.48Å; L179-F392 HydrophobicContact CD1-CD1 3.55Å; L179-F392 HydrophobicContact CD1-CE1 4.04Å; L179-F392 HydrophobicContact CD1-CG 4.08Å; L179-V394 HydrophobicContact CD1-CG2 3.84Å; L179-V394 HydrophobicContact CD2-CG2 4.34Å; L179-V394 HydrophobicContact CG-CG2 4.47Å |
| 180 | N | 97.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 176.7 | -174.6 | 48.1 | 0 | 0 | 0 | 111.7 | A176 V177 Y184 L378 | A176-N180 WeakPolarHBondContact O-CB 3.36Å; A176-N180 PolarHBondContact O-N 2.76Å; V177-N180 PolarHBondContact O-N 3.35Å; N180-Y184 VanDerWaalsContact O-CD2 3.27Å; N180-Y184 WeakPolarHBondContact O-CD2 3.43Å; N180-L378 HydrophobicContact CB-CD1 4.14Å |
| 181 | Y | 97.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -58.1 | 168.9 | -177.7 | -89.1 | 0 | 0 | 0 | 112.2 | V177 L179 I183 K185 V198 F200 F215 E339 L366 | V177-Y181 PolarHBondContact O-N 3.39Å; L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 2.81Å; Y181-I183 PolarHBondContact O-N 3.22Å; Y181-K185 HydrophobicContact CD1-CG 4.12Å; Y181-K185 HydrophobicContact CE1-CG 3.83Å; Y181-K185 HydrophobicContact CE2-CD 4.48Å; Y181-K185 WeakPolarHBondContact O-CG 3.37Å; Y181-K185 PolarHBondContact O-N 2.91Å; Y181-V198 HydrophobicContact CE1-CG2 3.94Å; Y181-F200 AromaticContact CD1-CZ 3.91Å; Y181-F200 HydrophobicContact CD1-CZ 3.91Å; Y181-F200 AromaticContact CD2-CE1 4Å; Y181-F200 HydrophobicContact CD2-CE1 4Å; Y181-F200 HydrophobicContact CD2-CZ 4.22Å; Y181-F200 AromaticContact CG-CE1 3.86Å; Y181-F200 HydrophobicContact CG-CE1 3.86Å; Y181-F200 AromaticContact CG-CZ 3.7Å; Y181-F200 HydrophobicContact CG-CZ 3.7Å; Y181-F215 HydrophobicContact CD1-CE1 4.19Å; Y181-F215 HydrophobicContact CD1-CE2 4.1Å; Y181-F215 AromaticContact CD1-CZ 3.85Å; Y181-F215 HydrophobicContact CD1-CZ 3.85Å; Y181-F215 HydrophobicContact CE1-CE2 4.34Å; Y181-E339 HydrophobicContact CD2-CG 3.92Å; Y181-E339 HydrophobicContact CE2-CG 3.69Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.41Å; Y181-L366 HydrophobicContact CD2-CD2 4.29Å; Y181-L366 HydrophobicContact CD2-CG 4.49Å |
| 182 | G | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A178 L179 Y184 L188 F392 | A178-G182 PolarHBondContact O-N 2.95Å; L179-G182 PolarHBondContact O-N 3.14Å; G182-Y184 VanDerWaalsContact C-N 3.34Å; G182-Y184 PolarHBondContact O-N 3.22Å; G182-L188 WeakPolarHBondContact O-CD1 3.49Å; G182-F392 VanDerWaalsContact C-CE2 3.42Å; G182-F392 WeakPolarHBondContact O-CE2 3.3Å |
| 183 | I | 93.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.1 | -27.9 | -172.7 | -157.1 | 168.3 | 0 | 0 | 0 | 113.2 | L179 Y181 L378 R390 F392 | L179-I183 HydrophobicContact CD1-CB 4.35Å; L179-I183 WeakPolarHBondContact O-CG2 3.31Å; L179-I183 PolarHBondContact O-N 3.27Å; Y181-I183 PolarHBondContact O-N 3.22Å; I183-L378 HydrophobicContact CD1-CD2 4.31Å; I183-L378 HydrophobicContact CG2-CD1 3.74Å; I183-L378 HydrophobicContact CG2-CD2 4.08Å; I183-R390 HydrophobicContact CD1-CB 4.42Å; I183-R390 HydrophobicContact CG1-CB 4.38Å; I183-R390 PolarHBondContact O-NH1 2.87Å; I183-F392 HydrophobicContact CB-CD2 4.08Å; I183-F392 HydrophobicContact CB-CG 4.41Å; I183-F392 HydrophobicContact CD1-CB 4.06Å; I183-F392 HydrophobicContact CG1-CB 4.17Å; I183-F392 HydrophobicContact CG1-CD2 4Å; I183-F392 HydrophobicContact CG1-CG 4.24Å |
| 184 | Y | 92.5 | Very high | 95.2 | Very high | 114 Ų | 114 | 46.6 Ų | 46.6 | 45% | 0.447 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -94.1 | -23.1 | -177.7 | -65.6 | -55.8 | 0 | 0 | 0 | 114.1 | N180 G182 Q186 L378 | N180-Y184 VanDerWaalsContact O-CD2 3.27Å; N180-Y184 WeakPolarHBondContact O-CD2 3.43Å; G182-Y184 VanDerWaalsContact C-N 3.34Å; G182-Y184 PolarHBondContact O-N 3.22Å; Y184-Q186 PolarHBondContact O-NE2 3.5Å; Y184-Q186 VanDerWaalsContact O-NE2 3.15Å; Y184-L378 HydrophobicContact CE2-CD1 4.14Å |
| 185 | K | 93.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | trans | -63.5 | 141.6 | 170.8 | -63.2 | -59 | -177.6 | -170.9 | 0 | 110.1 | Y181 L188 T365 R390 | Y181-K185 HydrophobicContact CD1-CG 4.12Å; Y181-K185 HydrophobicContact CE1-CG 3.83Å; Y181-K185 HydrophobicContact CE2-CD 4.48Å; Y181-K185 WeakPolarHBondContact O-CG 3.37Å; Y181-K185 PolarHBondContact O-N 2.91Å; K185-L188 HydrophobicContact CB-CD1 4.2Å; K185-L188 HydrophobicContact CB-CD2 3.91Å; K185-L188 HydrophobicContact CB-CG 3.78Å; K185-L188 HydrophobicContact CG-CD2 4.42Å; K185-T365 PolarHBondContact NZ-OG1 3.42Å; K185-R390 PolarHBondContact O-NH1 3.05Å | ||
| 186 | Q | 91.6 | Very high | 95.2 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -114.1 | -17.8 | -178.6 | -55.6 | -56.3 | -22.3 | 0 | 0 | 112.6 | Y184 R390 | Y184-Q186 PolarHBondContact O-NE2 3.5Å; Y184-Q186 VanDerWaalsContact O-NE2 3.15Å; Q186-R390 VanDerWaalsContact OE1-CZ 3.31Å; Q186-R390 VanDerWaalsContact OE1-NH1 3.07Å |
| 187 | D | 94.3 | Very high | 95.2 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | trans | -95 | 19.2 | -177.2 | 65.3 | -54 | 0 | 0 | 0 | 113 | R196 | D187-R196 PolarHBondContact O-NH2 3.13Å; D187-R196 IonicContact OD1-NH1 3.35Å; D187-R196 IonicContact OD2-CZ 2.71Å; D187-R196 IonicContact OD2-NH1 2.76Å; D187-R196 PolarHBondContact OD2-NH1 2.77Å; D187-R196 IonicContact OD2-NH2 3.74Å; D187-R196 PolarHBondContact OD2-NH2 2.86Å | ||
| 188 | L | 95.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 140 | 177.5 | -63.8 | -178.3 | 0 | 0 | 0 | 110.9 | G182 K185 F215 | G182-L188 WeakPolarHBondContact O-CD1 3.49Å; K185-L188 HydrophobicContact CB-CD1 4.2Å; K185-L188 HydrophobicContact CB-CD2 3.91Å; K185-L188 HydrophobicContact CB-CG 3.78Å; K185-L188 HydrophobicContact CG-CD2 4.42Å; L188-F215 HydrophobicContact CD1-CB 4.27Å; L188-F215 HydrophobicContact CD1-CD1 4.34Å; L188-F215 HydrophobicContact CD2-CB 3.95Å |
| 189 | P | 96.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 149 | 178.9 | -26.9 | 35.4 | 0 | 0 | 0 | 113.2 | E193 R196 N216 K217 | P189-E193 WeakPolarHBondContact CA-OE2 3.49Å; P189-E193 HydrophobicContact CB-CB 3.77Å; P189-E193 VanDerWaalsContact CB-OE2 3.29Å; P189-E193 WeakPolarHBondContact CB-OE2 3.17Å; P189-R196 HydrophobicContact CG-CB 4.04Å; P189-N216 CarbonylContact O-C 3.52Å; P189-N216 VanDerWaalsContact O-CA 3.26Å; P189-N216 WeakPolarHBondContact O-CA 3.44Å; P189-K217 PolarHBondContact O-N 3.41Å |
| 190 | N | 94.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 169.2 | 173.7 | -63.1 | -65.9 | 0 | 0 | 0 | 111.4 | D192 E193 N216 K217 | N190-D192 VanDerWaalsContact CB-OD1 3.25Å; N190-D192 WeakPolarHBondContact CB-OD1 3.47Å; N190-D192 PolarHBondContact O-N 3.03Å; N190-E193 HydrophobicContact CB-CG 4.23Å; N190-E193 VanDerWaalsContact N-CD 3.34Å; N190-E193 PolarHBondContact N-OE2 2.85Å; N190-E193 PolarHBondContact ND2-OE1 3.49Å; N190-E193 PolarHBondContact O-N 3.24Å; N190-N216 PolarHBondContact O-ND2 3.44Å; N190-K217 WeakPolarHBondContact OD1-CD 3.41Å |
| 191 | A | 89.9 | Confident | 95.4 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 192 | D | 90.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 51.8 Ų | 51.8 | 77% | 0.765 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -14.2 | 178.7 | 53.5 | -49.4 | 0 | 0 | 0 | 113.5 | N190 | N190-D192 VanDerWaalsContact CB-OD1 3.25Å; N190-D192 WeakPolarHBondContact CB-OD1 3.47Å; N190-D192 PolarHBondContact O-N 3.03Å |
| 193 | E | 95.3 | Very high | 95.5 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -85.6 | 158.5 | 178.7 | -67.7 | 166.5 | -165 | 0 | 0 | 112.2 | P189 N190 N216 | P189-E193 WeakPolarHBondContact CA-OE2 3.49Å; P189-E193 HydrophobicContact CB-CB 3.77Å; P189-E193 VanDerWaalsContact CB-OE2 3.29Å; P189-E193 WeakPolarHBondContact CB-OE2 3.17Å; N190-E193 HydrophobicContact CB-CG 4.23Å; N190-E193 VanDerWaalsContact N-CD 3.34Å; N190-E193 PolarHBondContact N-OE2 2.85Å; N190-E193 PolarHBondContact ND2-OE1 3.49Å; N190-E193 PolarHBondContact O-N 3.24Å; E193-N216 PolarHBondContact O-ND2 3.45Å |
| 194 | K | 95.1 | Very high | 95.7 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -57 | 123.8 | 173.6 | -175.1 | -176.2 | 177.4 | -176.2 | 0 | 108.5 | D334 | K194-D334 IonicContact NZ-OD1 2.7Å; K194-D334 PolarHBondContact NZ-OD1 3.07Å |
| 195 | P | 97.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 144.9 | -177.6 | 25 | -34.5 | 0 | 0 | 0 | 111.4 | V197 A214 F215 | P195-V197 PolarHBondContact O-N 3.28Å; P195-A214 HydrophobicContact CB-CB 3.89Å; P195-A214 HydrophobicContact CG-CB 4.11Å; P195-F215 WeakPolarHBondContact CA-O 3.4Å; P195-F215 WeakPolarHBondContact CB-O 3.11Å |
| 196 | R | 97.8 | Very high | 96 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.3 | 171.1 | -173 | -177.5 | -66.8 | -178.1 | -0.8 | 108.6 | D187 P189 V198 F215 | D187-R196 PolarHBondContact O-NH2 3.13Å; D187-R196 IonicContact OD1-NH1 3.35Å; D187-R196 IonicContact OD2-CZ 2.71Å; D187-R196 IonicContact OD2-NH1 2.76Å; D187-R196 PolarHBondContact OD2-NH1 2.77Å; D187-R196 IonicContact OD2-NH2 3.74Å; D187-R196 PolarHBondContact OD2-NH2 2.86Å; P189-R196 HydrophobicContact CG-CB 4.04Å; R196-V198 HydrophobicContact CG-CG2 4.28Å; R196-F215 PolarHBondContact N-O 3.45Å; R196-F215 PolarHBondContact O-N 3.18Å |
| 197 | V | 98.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.4 | 178 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | P195 C213 L223 L330 S336 | P195-V197 PolarHBondContact O-N 3.28Å; V197-C213 WeakPolarHBondContact CA-O 3.31Å; V197-L223 HydrophobicContact CG1-CD1 4.35Å; V197-L223 HydrophobicContact CG2-CD1 4.4Å; V197-L330 HydrophobicContact CG1-CD1 3.85Å; V197-S336 PolarHBondContact N-OG 3.05Å; V197-S336 WeakPolarHBondContact O-CA 3.22Å; V197-S336 VanDerWaalsContact O-CB 3.23Å; V197-S336 WeakPolarHBondContact O-CB 3.46Å; V197-S336 PolarHBondContact O-N 2.87Å; V197-S336 PolarHBondContact O-OG 3.16Å |
| 198 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.9 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | Y181 R196 F200 C213 F215 A337 E339 | Y181-V198 HydrophobicContact CE1-CG2 3.94Å; R196-V198 HydrophobicContact CG-CG2 4.28Å; V198-F200 HydrophobicContact CB-CE2 4.28Å; V198-F200 HydrophobicContact CB-CZ 4.27Å; V198-F200 HydrophobicContact CG1-CE1 4.05Å; V198-F200 HydrophobicContact CG1-CE2 4.08Å; V198-F200 HydrophobicContact CG1-CZ 3.76Å; V198-C213 PolarHBondContact N-O 2.91Å; V198-C213 PolarHBondContact O-N 3.43Å; V198-F215 HydrophobicContact CB-CD2 4.29Å; V198-F215 HydrophobicContact CB-CE2 3.99Å; V198-F215 HydrophobicContact CG2-CD2 4.1Å; V198-F215 HydrophobicContact CG2-CE2 4.22Å; V198-A337 WeakPolarHBondContact CA-O 3.45Å; V198-A337 HydrophobicContact CG1-CB 4.31Å; V198-A337 HydrophobicContact CG2-CB 4.43Å; V198-E339 HydrophobicContact CG1-CG 4.22Å |
| 199 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.7 | 170.4 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | V201 S211 A212 L324 V335 A337 I338 E339 F358 | V199-V201 HydrophobicContact CG1-CG2 4.01Å; V199-S211 CarbonylContact C-O 3.1Å; V199-S211 WeakPolarHBondContact CA-O 3.45Å; V199-A212 HydrophobicContact CG2-CB 4.32Å; V199-L324 HydrophobicContact CG1-CD2 3.96Å; V199-L324 HydrophobicContact CG2-CD2 4.49Å; V199-V335 HydrophobicContact CB-CG1 4.21Å; V199-V335 HydrophobicContact CG2-CB 4.48Å; V199-V335 HydrophobicContact CG2-CG1 3.74Å; V199-V335 HydrophobicContact CG2-CG2 3.84Å; V199-A337 PolarHBondContact N-O 3.35Å; V199-I338 CarbonylContact O-C 3.54Å; V199-I338 VanDerWaalsContact O-CA 3.28Å; V199-I338 WeakPolarHBondContact O-CA 3.49Å; V199-E339 PolarHBondContact O-N 3.15Å; V199-F358 HydrophobicContact CB-CZ 4.3Å; V199-F358 HydrophobicContact CG1-CE2 4.42Å; V199-F358 HydrophobicContact CG1-CZ 3.94Å; V199-F358 HydrophobicContact CG2-CE1 4.28Å; V199-F358 HydrophobicContact CG2-CZ 4.21Å |
| 200 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.4 | 169 | -62.1 | -78.6 | 0 | 0 | 0 | 109.3 | M174 V177 A178 Y181 V198 V210 S211 C213 F215 E339 L366 | M174-F200 HydrophobicContact CE-CB 3.61Å; M174-F200 WeakPolarHBondContact CE-O 3.48Å; V177-F200 HydrophobicContact CG1-CB 4.49Å; V177-F200 HydrophobicContact CG1-CD1 3.64Å; V177-F200 HydrophobicContact CG1-CE1 4.21Å; V177-F200 HydrophobicContact CG1-CG 4.22Å; A178-F200 HydrophobicContact CB-CD2 3.87Å; A178-F200 HydrophobicContact CB-CE2 3.49Å; A178-F200 VanDerWaalsContact CB-CE2 3.49Å; A178-F200 HydrophobicContact CB-CZ 4.08Å; Y181-F200 AromaticContact CD1-CZ 3.91Å; Y181-F200 HydrophobicContact CD1-CZ 3.91Å; Y181-F200 AromaticContact CD2-CE1 4Å; Y181-F200 HydrophobicContact CD2-CE1 4Å; Y181-F200 HydrophobicContact CD2-CZ 4.22Å; Y181-F200 AromaticContact CG-CE1 3.86Å; Y181-F200 HydrophobicContact CG-CE1 3.86Å; Y181-F200 AromaticContact CG-CZ 3.7Å; Y181-F200 HydrophobicContact CG-CZ 3.7Å; V198-F200 HydrophobicContact CB-CE2 4.28Å; V198-F200 HydrophobicContact CB-CZ 4.27Å; V198-F200 HydrophobicContact CG1-CE1 4.05Å; V198-F200 HydrophobicContact CG1-CE2 4.08Å; V198-F200 HydrophobicContact CG1-CZ 3.76Å; F200-V210 WeakPolarHBondContact O-CA 3.15Å; F200-S211 PolarHBondContact N-O 2.64Å; F200-S211 PolarHBondContact O-N 3.43Å; F200-C213 HydrophobicContact CD2-CB 4.17Å; F200-C213 HydrophobicContact CE2-CB 3.82Å; F200-F215 AromaticContact CE2-CE2 3.67Å; F200-F215 HydrophobicContact CE2-CE2 3.67Å; F200-F215 AromaticContact CE2-CZ 3.69Å; F200-F215 HydrophobicContact CE2-CZ 3.69Å; F200-F215 AromaticContact CZ-CE2 3.88Å; F200-F215 HydrophobicContact CZ-CE2 3.88Å; F200-F215 AromaticContact CZ-CZ 3.77Å; F200-F215 HydrophobicContact CZ-CZ 3.77Å; F200-E339 WeakPolarHBondContact CA-O 3.36Å; F200-E339 HydrophobicContact CD1-CB 3.7Å; F200-E339 HydrophobicContact CD1-CG 4.47Å; F200-E339 HydrophobicContact CE1-CB 3.84Å; F200-E339 HydrophobicContact CE1-CG 4.11Å; F200-L366 HydrophobicContact CE1-CD1 4.22Å |
| 201 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.8 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | V199 F208 Q209 V210 I338 E339 I340 V341 I354 | V199-V201 HydrophobicContact CG1-CG2 4.01Å; V201-F208 HydrophobicContact CG1-CD2 4.3Å; V201-F208 HydrophobicContact CG1-CE2 3.35Å; V201-F208 HydrophobicContact CG1-CZ 3.83Å; V201-Q209 WeakPolarHBondContact CA-O 3.23Å; V201-V210 HydrophobicContact CB-CG1 4.34Å; V201-V210 HydrophobicContact CG1-CG1 3.99Å; V201-V210 HydrophobicContact CG2-CG1 3.99Å; V201-I338 HydrophobicContact CG2-CG2 3.97Å; V201-E339 PolarHBondContact N-O 2.81Å; V201-I340 HydrophobicContact CB-CG2 4.19Å; V201-I340 CarbonylContact O-C 3.54Å; V201-I340 WeakPolarHBondContact O-CA 3.37Å; V201-V341 PolarHBondContact O-N 3.12Å; V201-I354 HydrophobicContact CG1-CD1 3.74Å; V201-I354 HydrophobicContact CG1-CG1 4.38Å; V201-I354 HydrophobicContact CG2-CG2 4.27Å |
| 202 | D | 98.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136 | 173.8 | 165.5 | 47.3 | 0 | 0 | 0 | 110 | M174 G204 F208 Q209 V341 G342 | M174-D202 HydrophobicContact CE-CB 4.01Å; M174-D202 HydrophobicContact SD-CB 3.42Å; M174-D202 WeakPolarHBondContact SD-CB 3.4Å; D202-G204 PolarHBondContact OD1-N 2.91Å; D202-F208 WeakPolarHBondContact O-CA 3.25Å; D202-F208 VanDerWaalsContact O-CD2 3.3Å; D202-F208 WeakPolarHBondContact O-CD2 3.4Å; D202-Q209 HydrophobicContact CB-CB 4.25Å; D202-Q209 PolarHBondContact N-O 2.85Å; D202-Q209 PolarHBondContact O-N 2.86Å; D202-Q209 PolarHBondContact OD2-NE2 3.31Å; D202-V341 WeakPolarHBondContact CA-O 3.49Å; D202-V341 HydrophobicContact CB-CG2 3.84Å; D202-G342 WeakPolarHBondContact OD1-CA 3.48Å |
| 203 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 92.4 | 161.9 | -155.6 | -178.3 | -166.4 | 0 | 0 | 110.2 | F208 L231 F236 V341 G342 G343 A344 T345 V350 | M203-F208 HydrophobicContact CB-CD2 3.94Å; M203-F208 HydrophobicContact CE-CB 4.48Å; M203-F208 HydrophobicContact CG-CB 4.26Å; M203-F208 HydrophobicContact CG-CD2 3.87Å; M203-F208 HydrophobicContact SD-CD2 4.33Å; M203-L231 HydrophobicContact CE-CD1 4.25Å; M203-L231 HydrophobicContact CE-CD2 4.28Å; M203-L231 HydrophobicContact CE-CG 3.71Å; M203-F236 HydrophobicContact CE-CE2 3.68Å; M203-F236 HydrophobicContact CE-CZ 4.38Å; M203-V341 PolarHBondContact N-O 2.85Å; M203-G342 CarbonylContact O-C 3.51Å; M203-G342 WeakPolarHBondContact O-CA 3.42Å; M203-G343 PolarHBondContact O-N 2.76Å; M203-A344 HydrophobicContact CB-CB 4.05Å; M203-A344 HydrophobicContact CG-CB 3.79Å; M203-A344 WeakPolarHBondContact O-CB 3.37Å; M203-A344 PolarHBondContact O-N 3.24Å; M203-A344 HydrophobicContact SD-CB 3.87Å; M203-T345 HydrophobicContact CB-CG2 3.54Å; M203-V350 HydrophobicContact SD-CG1 3.86Å; M203-V350 HydrophobicContact SD-CG2 4.16Å |
| 204 | G | 96.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 20% | 0.196 | 9% | 0.092 | C | C | . | . | trans | -78.1 | -159.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D202 S207 G233 | D202-G204 PolarHBondContact OD1-N 2.91Å; G204-S207 PolarHBondContact N-O 3.41Å; G204-G233 PolarHBondContact O-N 3.08Å | ||
| 205 | H | 97.1 | Very high | 97.8 | Very high | 34 Ų | 34 | 10.6 Ų | 10.6 | 16% | 0.157 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -68.8 | -35.1 | 177.6 | -175.3 | 85 | 0 | 0 | 0 | 113.2 | Q11 G232 G233 K234 | Q11-H205 HydrophobicContact CB-CB 3.65Å; Q11-H205 PolarHBondContact OE1-ND1 3.03Å; H205-G232 CarbonylContact O-C 3.6Å; H205-G232 VanDerWaalsContact O-C 3.28Å; H205-G233 PolarHBondContact O-N 3.45Å; H205-K234 VanDerWaalsContact O-CB 3.32Å; H205-K234 WeakPolarHBondContact O-CB 3.37Å; H205-K234 PolarHBondContact O-N 3.18Å |
| 206 | S | 94.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 9.2 Ų | 9.2 | 14% | 0.14 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -121 | -7.3 | -166.9 | 57.3 | 0 | 0 | 0 | 0 | 116 | S10 | S10-S206 WeakPolarHBondContact CB-OG 3.41Å; S10-S206 PolarHBondContact OG-OG 3.47Å |
| 207 | S | 96.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 12 Ų | 12 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | trans | -161.8 | 155.2 | -168.8 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | G204 L231 | G204-S207 PolarHBondContact N-O 3.41Å; S207-L231 CarbonylContact C-O 3.59Å; S207-L231 VanDerWaalsContact CA-O 3.22Å; S207-L231 WeakPolarHBondContact CA-O 3.3Å | ||
| 208 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.1 | 177.5 | 176.6 | -115.3 | 0 | 0 | 0 | 108.4 | V201 D202 M203 V210 F227 D228 L231 I317 P320 L321 I354 | V201-F208 HydrophobicContact CG1-CD2 4.3Å; V201-F208 HydrophobicContact CG1-CE2 3.35Å; V201-F208 HydrophobicContact CG1-CZ 3.83Å; D202-F208 WeakPolarHBondContact O-CA 3.25Å; D202-F208 VanDerWaalsContact O-CD2 3.3Å; D202-F208 WeakPolarHBondContact O-CD2 3.4Å; M203-F208 HydrophobicContact CB-CD2 3.94Å; M203-F208 HydrophobicContact CE-CB 4.48Å; M203-F208 HydrophobicContact CG-CB 4.26Å; M203-F208 HydrophobicContact CG-CD2 3.87Å; M203-F208 HydrophobicContact SD-CD2 4.33Å; F208-V210 HydrophobicContact CE1-CG1 3.83Å; F208-V210 HydrophobicContact CE2-CG1 4.29Å; F208-V210 HydrophobicContact CZ-CG1 3.67Å; F208-F227 CarbonylContact O-C 3.56Å; F208-F227 WeakPolarHBondContact O-CA 3.1Å; F208-F227 WeakPolarHBondContact O-CB 3.05Å; F208-D228 PolarHBondContact N-O 2.91Å; F208-D228 PolarHBondContact O-N 3.34Å; F208-L231 HydrophobicContact CB-CB 4.48Å; F208-L231 HydrophobicContact CB-CD2 4.31Å; F208-L231 HydrophobicContact CB-CG 4.5Å; F208-L231 WeakPolarHBondContact CB-O 3.25Å; F208-L231 HydrophobicContact CD1-CD2 4.49Å; F208-L231 PolarHBondContact N-O 2.88Å; F208-I317 HydrophobicContact CE1-CG2 4.08Å; F208-I317 WeakPolarHBondContact CE1-O 3.41Å; F208-I317 HydrophobicContact CE2-CG2 4.26Å; F208-I317 HydrophobicContact CZ-CG2 3.67Å; F208-P320 HydrophobicContact CD1-CB 4.21Å; F208-P320 HydrophobicContact CD1-CG 3.93Å; F208-P320 HydrophobicContact CE1-CB 4.11Å; F208-P320 HydrophobicContact CE1-CG 4.16Å; F208-L321 HydrophobicContact CZ-CG 4.46Å; F208-I354 HydrophobicContact CE2-CD1 4.49Å |
| 209 | Q | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137 | -173.4 | -50.9 | -176.3 | 90.7 | 0 | 0 | 110.1 | P145 F147 D173 M174 V201 D202 F227 | P145-Q209 VanDerWaalsContact CA-OE1 3.3Å; F147-Q209 HydrophobicContact CD1-CG 4.39Å; F147-Q209 HydrophobicContact CE1-CG 4.16Å; D173-Q209 PolarHBondContact OD2-NE2 2.89Å; M174-Q209 WeakPolarHBondContact CE-O 3.38Å; M174-Q209 HydrophobicContact CG-CB 3.97Å; M174-Q209 HydrophobicContact SD-CB 3.75Å; V201-Q209 WeakPolarHBondContact CA-O 3.23Å; D202-Q209 HydrophobicContact CB-CB 4.25Å; D202-Q209 PolarHBondContact N-O 2.85Å; D202-Q209 PolarHBondContact O-N 2.86Å; D202-Q209 PolarHBondContact OD2-NE2 3.31Å; Q209-F227 HydrophobicContact CG-CB 4.47Å |
| 210 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.7 | 179.4 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | F200 V201 F208 T225 A226 P320 L321 L324 | F200-V210 WeakPolarHBondContact O-CA 3.15Å; V201-V210 HydrophobicContact CB-CG1 4.34Å; V201-V210 HydrophobicContact CG1-CG1 3.99Å; V201-V210 HydrophobicContact CG2-CG1 3.99Å; F208-V210 HydrophobicContact CE1-CG1 3.83Å; F208-V210 HydrophobicContact CE2-CG1 4.29Å; F208-V210 HydrophobicContact CZ-CG1 3.67Å; V210-T225 CarbonylContact O-C 3.28Å; V210-T225 VanDerWaalsContact O-CA 3.3Å; V210-T225 WeakPolarHBondContact O-CA 3.21Å; V210-T225 PolarHBondContact O-OG1 3.42Å; V210-A226 HydrophobicContact CG2-CB 3.89Å; V210-A226 WeakPolarHBondContact CG2-O 3.39Å; V210-A226 PolarHBondContact N-O 2.86Å; V210-A226 PolarHBondContact O-N 3.08Å; V210-P320 HydrophobicContact CG2-CB 3.93Å; V210-P320 WeakPolarHBondContact CG2-O 3.17Å; V210-L321 HydrophobicContact CB-CD2 4.43Å; V210-L321 HydrophobicContact CG1-CD2 3.84Å; V210-L324 HydrophobicContact CB-CD2 3.93Å; V210-L324 HydrophobicContact CG2-CB 3.93Å; V210-L324 HydrophobicContact CG2-CD2 3.83Å; V210-L324 HydrophobicContact CG2-CG 4.42Å |
| 211 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.6 | -175.5 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | V199 F200 G224 | V199-S211 CarbonylContact C-O 3.1Å; V199-S211 WeakPolarHBondContact CA-O 3.45Å; F200-S211 PolarHBondContact N-O 2.64Å; F200-S211 PolarHBondContact O-N 3.43Å; S211-G224 WeakPolarHBondContact CA-O 3.49Å |
| 212 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V199 L223 G224 L324 T328 L330 | V199-A212 HydrophobicContact CG2-CB 4.32Å; A212-L223 HydrophobicContact CB-CB 4.33Å; A212-L223 WeakPolarHBondContact O-CB 3.17Å; A212-L223 PolarHBondContact O-N 2.84Å; A212-G224 PolarHBondContact N-O 2.9Å; A212-L324 HydrophobicContact CB-CD1 3.99Å; A212-L324 HydrophobicContact CB-CD2 4.22Å; A212-L324 HydrophobicContact CB-CG 4.28Å; A212-T328 HydrophobicContact CB-CG2 4.3Å; A212-L330 HydrophobicContact CB-CD1 3.91Å |
| 213 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.1 | -176.2 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | A178 V197 V198 F200 F215 K221 | A178-C213 HydrophobicContact CB-CB 4.49Å; V197-C213 WeakPolarHBondContact CA-O 3.31Å; V198-C213 PolarHBondContact N-O 2.91Å; V198-C213 PolarHBondContact O-N 3.43Å; F200-C213 HydrophobicContact CD2-CB 4.17Å; F200-C213 HydrophobicContact CE2-CB 3.82Å; C213-F215 HydrophobicContact CB-CD2 4.29Å; C213-F215 HydrophobicContact CB-CE2 3.56Å; C213-F215 HydrophobicContact CB-CZ 4.02Å; C213-K221 WeakPolarHBondContact CA-O 3.33Å |
| 214 | A | 98.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P195 L220 K221 L223 | P195-A214 HydrophobicContact CB-CB 3.89Å; P195-A214 HydrophobicContact CG-CB 4.11Å; A214-L220 WeakPolarHBondContact O-CA 3.45Å; A214-K221 PolarHBondContact N-O 3.3Å; A214-K221 PolarHBondContact O-N 3.48Å; A214-L223 HydrophobicContact CB-CD1 4.09Å; A214-L223 HydrophobicContact CB-CD2 3.83Å; A214-L223 HydrophobicContact CB-CG 4.03Å |
| 215 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.2 | 178.9 | -68.4 | -87.9 | 0 | 0 | 0 | 112.6 | A178 Y181 L188 P195 R196 V198 F200 C213 K219 L220 F392 | A178-F215 HydrophobicContact CB-CZ 4.06Å; A178-F215 WeakPolarHBondContact O-CE1 3.48Å; A178-F215 WeakPolarHBondContact O-CZ 3.41Å; Y181-F215 HydrophobicContact CD1-CE1 4.19Å; Y181-F215 HydrophobicContact CD1-CE2 4.1Å; Y181-F215 AromaticContact CD1-CZ 3.85Å; Y181-F215 HydrophobicContact CD1-CZ 3.85Å; Y181-F215 HydrophobicContact CE1-CE2 4.34Å; L188-F215 HydrophobicContact CD1-CB 4.27Å; L188-F215 HydrophobicContact CD1-CD1 4.34Å; L188-F215 HydrophobicContact CD2-CB 3.95Å; P195-F215 WeakPolarHBondContact CA-O 3.4Å; P195-F215 WeakPolarHBondContact CB-O 3.11Å; R196-F215 PolarHBondContact N-O 3.45Å; R196-F215 PolarHBondContact O-N 3.18Å; V198-F215 HydrophobicContact CB-CD2 4.29Å; V198-F215 HydrophobicContact CB-CE2 3.99Å; V198-F215 HydrophobicContact CG2-CD2 4.1Å; V198-F215 HydrophobicContact CG2-CE2 4.22Å; F200-F215 AromaticContact CE2-CE2 3.67Å; F200-F215 HydrophobicContact CE2-CE2 3.67Å; F200-F215 AromaticContact CE2-CZ 3.69Å; F200-F215 HydrophobicContact CE2-CZ 3.69Å; F200-F215 AromaticContact CZ-CE2 3.88Å; F200-F215 HydrophobicContact CZ-CE2 3.88Å; F200-F215 AromaticContact CZ-CZ 3.77Å; F200-F215 HydrophobicContact CZ-CZ 3.77Å; C213-F215 HydrophobicContact CB-CD2 4.29Å; C213-F215 HydrophobicContact CB-CE2 3.56Å; C213-F215 HydrophobicContact CB-CZ 4.02Å; F215-K219 WeakPolarHBondContact CA-O 3.47Å; F215-L220 HydrophobicContact CD1-CB 3.68Å; F215-L220 HydrophobicContact CE1-CB 3.45Å; F215-L220 VanDerWaalsContact CE1-CB 3.45Å; F215-L220 HydrophobicContact CE1-CD2 4.12Å; F215-L220 HydrophobicContact CE1-CG 4.41Å; F215-L220 HydrophobicContact CZ-CB 4.17Å; F215-F392 HydrophobicContact CD1-CZ 4.33Å; F215-F392 HydrophobicContact CE1-CZ 4.46Å |
| 216 | N | 96.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 169.4 | 157.3 | -58 | 94.9 | 0 | 0 | 0 | 108 | P189 N190 E193 G218 K219 | P189-N216 CarbonylContact O-C 3.52Å; P189-N216 VanDerWaalsContact O-CA 3.26Å; P189-N216 WeakPolarHBondContact O-CA 3.44Å; N190-N216 PolarHBondContact O-ND2 3.44Å; E193-N216 PolarHBondContact O-ND2 3.45Å; N216-G218 PolarHBondContact O-N 2.91Å; N216-G218 VanDerWaalsContact O-N 3.11Å; N216-K219 PolarHBondContact N-O 3.17Å; N216-K219 PolarHBondContact O-N 3.25Å |
| 217 | K | 94.6 | Very high | 97.2 | Very high | 121 Ų | 121 | 21.9 Ų | 21.9 | 53% | 0.526 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 114.8 | 175.7 | -169.3 | 176.5 | -174.1 | 175.6 | 0 | 111 | P189 N190 | P189-K217 PolarHBondContact O-N 3.41Å; N190-K217 WeakPolarHBondContact OD1-CD 3.41Å |
| 218 | G | 93.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 23% | 0.227 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 15.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N216 F392 S393 | N216-G218 PolarHBondContact O-N 2.91Å; N216-G218 VanDerWaalsContact O-N 3.11Å; G218-F392 CarbonylContact O-C 3.6Å; G218-F392 WeakPolarHBondContact O-CA 3.33Å; G218-S393 PolarHBondContact O-N 3.48Å |
| 219 | K | 95.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 23.5 Ų | 23.5 | 44% | 0.439 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 129.2 | -175.7 | -177.5 | 179.5 | 178.2 | -175.4 | 0 | 112.8 | F215 N216 S393 | F215-K219 WeakPolarHBondContact CA-O 3.47Å; N216-K219 PolarHBondContact N-O 3.17Å; N216-K219 PolarHBondContact O-N 3.25Å; K219-S393 WeakPolarHBondContact CA-O 3.28Å |
| 220 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.9 | 160.8 | 86.8 | 84.4 | 0 | 0 | 0 | 110.9 | T175 A178 L179 A214 F215 V222 F392 S393 V394 T395 | T175-L220 HydrophobicContact CG2-CD1 4.4Å; A178-L220 HydrophobicContact CB-CD1 4.46Å; A178-L220 HydrophobicContact CB-CD2 3.87Å; L179-L220 HydrophobicContact CB-CD2 4.13Å; A214-L220 WeakPolarHBondContact O-CA 3.45Å; F215-L220 HydrophobicContact CD1-CB 3.68Å; F215-L220 HydrophobicContact CE1-CB 3.45Å; F215-L220 VanDerWaalsContact CE1-CB 3.45Å; F215-L220 HydrophobicContact CE1-CD2 4.12Å; F215-L220 HydrophobicContact CE1-CG 4.41Å; F215-L220 HydrophobicContact CZ-CB 4.17Å; L220-V222 HydrophobicContact CD1-CG2 4.13Å; L220-F392 HydrophobicContact CB-CE1 3.82Å; L220-F392 HydrophobicContact CB-CZ 4.13Å; L220-F392 HydrophobicContact CD2-CE1 3.92Å; L220-F392 HydrophobicContact CG-CE1 4.03Å; L220-S393 PolarHBondContact N-O 2.72Å; L220-V394 HydrophobicContact CD1-CG1 4.18Å; L220-V394 HydrophobicContact CD2-CG1 4.34Å; L220-V394 HydrophobicContact CD2-CG2 4.24Å; L220-V394 HydrophobicContact CG-CG1 4.21Å; L220-V394 HydrophobicContact CG-CG2 4.37Å; L220-T395 PolarHBondContact O-N 3.1Å |
| 221 | K | 97.8 | Very high | 96.8 | Very high | 90 Ų | 90 | 28.1 Ų | 28.1 | 39% | 0.391 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.7 | 165.6 | 177.8 | -175 | 174.2 | -165.2 | 0 | 109.4 | C213 A214 L223 T395 | C213-K221 WeakPolarHBondContact CA-O 3.33Å; A214-K221 PolarHBondContact N-O 3.3Å; A214-K221 PolarHBondContact O-N 3.48Å; K221-L223 HydrophobicContact CD-CD2 4.39Å; K221-L223 PolarHBondContact O-N 3.27Å; K221-T395 WeakPolarHBondContact CA-O 3.31Å; K221-T395 HydrophobicContact CG-CG2 4.18Å |
| 222 | V | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.7 | 165 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | T175 L220 T395 A397 | T175-V222 HydrophobicContact CG2-CG2 4.39Å; L220-V222 HydrophobicContact CD1-CG2 4.13Å; V222-T395 PolarHBondContact N-O 3.16Å; V222-A397 HydrophobicContact CB-CB 3.95Å; V222-A397 HydrophobicContact CG1-CB 3.64Å |
| 223 | L | 97.9 | Very high | 96.7 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -35.3 | 177.8 | -59.4 | 179 | 0 | 0 | 0 | 111.6 | V197 A212 A214 K221 T328 L330 | V197-L223 HydrophobicContact CG1-CD1 4.35Å; V197-L223 HydrophobicContact CG2-CD1 4.4Å; A212-L223 HydrophobicContact CB-CB 4.33Å; A212-L223 WeakPolarHBondContact O-CB 3.17Å; A212-L223 PolarHBondContact O-N 2.84Å; A214-L223 HydrophobicContact CB-CD1 4.09Å; A214-L223 HydrophobicContact CB-CD2 3.83Å; A214-L223 HydrophobicContact CB-CG 4.03Å; K221-L223 HydrophobicContact CD-CD2 4.39Å; K221-L223 PolarHBondContact O-N 3.27Å; L223-T328 HydrophobicContact CB-CG2 4.12Å; L223-L330 HydrophobicContact CD1-CD1 4.06Å |
| 224 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 163.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S211 A212 L324 N423 | S211-G224 WeakPolarHBondContact CA-O 3.49Å; A212-G224 PolarHBondContact N-O 2.9Å; G224-L324 VanDerWaalsContact O-CD1 3.26Å; G224-L324 WeakPolarHBondContact O-CD1 3.49Å; G224-N423 VanDerWaalsContact CA-OD1 3.27Å; G224-N423 WeakPolarHBondContact CA-OD1 3.46Å |
| 225 | T | 97 | Very high | 96.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.7 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | S146 V210 Q327 P399 | S146-T225 WeakPolarHBondContact CB-OG1 3.47Å; S146-T225 PolarHBondContact OG-OG1 2.87Å; V210-T225 CarbonylContact O-C 3.28Å; V210-T225 VanDerWaalsContact O-CA 3.3Å; V210-T225 WeakPolarHBondContact O-CA 3.21Å; V210-T225 PolarHBondContact O-OG1 3.42Å; T225-Q327 VanDerWaalsContact C-NE2 3.26Å; T225-Q327 PolarHBondContact O-NE2 2.7Å; T225-P399 HydrophobicContact CG2-CB 4.11Å |
| 226 | A | 96.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 161 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V210 P320 L324 | V210-A226 HydrophobicContact CG2-CB 3.89Å; V210-A226 WeakPolarHBondContact CG2-O 3.39Å; V210-A226 PolarHBondContact N-O 2.86Å; V210-A226 PolarHBondContact O-N 3.08Å; A226-P320 HydrophobicContact CB-CB 4.23Å; A226-P320 WeakPolarHBondContact CB-O 3.28Å; A226-L324 HydrophobicContact CB-CB 4.15Å |
| 227 | F | 96.5 | Very high | 96.7 | Very high | 35 Ų | 35 | 30 Ų | 30 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 150.9 | -168.7 | 34.6 | -97.9 | 0 | 0 | 0 | 111.8 | F147 F208 Q209 P229 P320 P399 F400 | F147-F227 HydrophobicContact CB-CD1 3.79Å; F147-F227 HydrophobicContact CB-CD2 3.59Å; F147-F227 HydrophobicContact CB-CE1 3.73Å; F147-F227 HydrophobicContact CB-CE2 3.52Å; F147-F227 HydrophobicContact CB-CG 3.73Å; F147-F227 HydrophobicContact CB-CZ 3.59Å; F147-F227 HydrophobicContact CD1-CB 3.93Å; F147-F227 HydrophobicContact CD1-CD1 4.37Å; F147-F227 HydrophobicContact CD1-CD2 4.22Å; F147-F227 AromaticContact CD1-CG 3.89Å; F147-F227 HydrophobicContact CD1-CG 3.89Å; F147-F227 HydrophobicContact CG-CD2 4.21Å; F147-F227 HydrophobicContact CG-CG 4.24Å; F208-F227 CarbonylContact O-C 3.56Å; F208-F227 WeakPolarHBondContact O-CA 3.1Å; F208-F227 WeakPolarHBondContact O-CB 3.05Å; Q209-F227 HydrophobicContact CG-CB 4.47Å; F227-P229 HydrophobicContact CD2-CG 4.45Å; F227-P320 VanDerWaalsContact C-CG 3.5Å; F227-P399 HydrophobicContact CE1-CB 4.43Å; F227-F400 HydrophobicContact CE2-CE1 4.23Å; F227-F400 HydrophobicContact CE2-CZ 4.41Å; F227-F400 AromaticContact CZ-CE1 3.7Å; F227-F400 HydrophobicContact CZ-CE1 3.7Å; F227-F400 AromaticContact CZ-CZ 3.91Å; F227-F400 HydrophobicContact CZ-CZ 3.91Å |
| 228 | D | 96.7 | Very high | 96.8 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.4 | 154.4 | -175.7 | -21.1 | 0 | 0 | 0 | 107 | F208 F230 L231 P320 | F208-D228 PolarHBondContact N-O 2.91Å; F208-D228 PolarHBondContact O-N 3.34Å; D228-F230 PolarHBondContact O-N 3.33Å; D228-F230 WeakPolarHBondContact OD1-CA 3.3Å; D228-F230 PolarHBondContact OD1-N 2.99Å; D228-L231 HydrophobicContact CB-CB 3.8Å; D228-L231 HydrophobicContact CB-CD2 4.21Å; D228-L231 PolarHBondContact OD1-N 3.23Å; D228-L231 WeakPolarHBondContact OD2-CB 3.47Å; D228-P320 HydrophobicContact CB-CG 3.91Å |
| 229 | P | 94.8 | Very high | 97 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 3.3 | -178 | 27.6 | -23.9 | 0 | 0 | 0 | 112.8 | R69 F147 F227 P453 | R69-P229 PolarHBondContact NH1-O 3.49Å; F147-P229 HydrophobicContact CD1-CB 4.2Å; F147-P229 HydrophobicContact CD2-CB 4.03Å; F147-P229 HydrophobicContact CE1-CB 4.05Å; F147-P229 HydrophobicContact CE2-CB 3.9Å; F147-P229 HydrophobicContact CG-CB 4.19Å; F147-P229 HydrophobicContact CZ-CB 3.9Å; F227-P229 HydrophobicContact CD2-CG 4.45Å; P229-P453 HydrophobicContact CB-CB 4.29Å; P229-P453 HydrophobicContact CG-CB 3.57Å; P229-P453 HydrophobicContact CG-CG 4.16Å |
| 230 | F | 94.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 23.1 Ų | 23.1 | 43% | 0.425 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 21.2 | -179.5 | -50.1 | -68.8 | 0 | 0 | 0 | 112.7 | F79 D228 N235 P453 | F79-F230 HydrophobicContact CD2-CD1 4.12Å; F79-F230 AromaticContact CD2-CE1 3.53Å; F79-F230 HydrophobicContact CD2-CE1 3.53Å; F79-F230 HydrophobicContact CD2-CZ 4.43Å; F79-F230 AromaticContact CE2-CD1 3.89Å; F79-F230 HydrophobicContact CE2-CD1 3.89Å; F79-F230 AromaticContact CE2-CE1 3.61Å; F79-F230 HydrophobicContact CE2-CE1 3.61Å; F79-F230 HydrophobicContact CG-CE1 4.23Å; F79-F230 HydrophobicContact CZ-CE1 4.36Å; D228-F230 PolarHBondContact O-N 3.33Å; D228-F230 WeakPolarHBondContact OD1-CA 3.3Å; D228-F230 PolarHBondContact OD1-N 2.99Å; F230-N235 PolarHBondContact O-OD1 2.85Å; F230-P453 HydrophobicContact CZ-CB 4.47Å |
| 231 | L | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -130.5 | 101.1 | -179.2 | -179.6 | 69.5 | 0 | 0 | 0 | 110.3 | M203 S207 F208 D228 N235 L313 K316 I317 | M203-L231 HydrophobicContact CE-CD1 4.25Å; M203-L231 HydrophobicContact CE-CD2 4.28Å; M203-L231 HydrophobicContact CE-CG 3.71Å; S207-L231 CarbonylContact C-O 3.59Å; S207-L231 VanDerWaalsContact CA-O 3.22Å; S207-L231 WeakPolarHBondContact CA-O 3.3Å; F208-L231 HydrophobicContact CB-CB 4.48Å; F208-L231 HydrophobicContact CB-CD2 4.31Å; F208-L231 HydrophobicContact CB-CG 4.5Å; F208-L231 WeakPolarHBondContact CB-O 3.25Å; F208-L231 HydrophobicContact CD1-CD2 4.49Å; F208-L231 PolarHBondContact N-O 2.88Å; D228-L231 HydrophobicContact CB-CB 3.8Å; D228-L231 HydrophobicContact CB-CD2 4.21Å; D228-L231 PolarHBondContact OD1-N 3.23Å; D228-L231 WeakPolarHBondContact OD2-CB 3.47Å; L231-N235 WeakPolarHBondContact CA-OD1 3.43Å; L231-L313 HydrophobicContact CD1-CB 3.95Å; L231-L313 HydrophobicContact CD1-CD2 4.01Å; L231-K316 HydrophobicContact CD1-CB 4.45Å; L231-K316 HydrophobicContact CD1-CD 4.47Å; L231-K316 HydrophobicContact CD2-CB 3.71Å; L231-I317 HydrophobicContact CD2-CG1 4.19Å | ||
| 232 | G | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -150.8 | -174 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H205 K234 N235 F236 | H205-G232 CarbonylContact O-C 3.6Å; H205-G232 VanDerWaalsContact O-C 3.28Å; G232-K234 PolarHBondContact O-N 3.46Å; G232-K234 VanDerWaalsContact O-N 3.08Å; G232-N235 PolarHBondContact N-OD1 2.91Å; G232-N235 PolarHBondContact O-N 3.48Å; G232-N235 PolarHBondContact O-OD1 3.41Å; G232-F236 WeakPolarHBondContact O-CD2 3.36Å |
| 233 | G | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -48.9 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G204 H205 N235 F236 D237 K274 | G204-G233 PolarHBondContact O-N 3.08Å; H205-G233 PolarHBondContact O-N 3.45Å; G233-N235 VanDerWaalsContact C-N 3.29Å; G233-N235 PolarHBondContact O-N 3.48Å; G233-F236 PolarHBondContact O-N 3.14Å; G233-D237 PolarHBondContact O-N 2.84Å; G233-D237 VanDerWaalsContact O-OD2 3.08Å; G233-K274 PolarHBondContact O-NZ 3.02Å |
| 234 | K | 96.1 | Very high | 97.2 | Very high | 34 Ų | 34 | 25 Ų | 25 | 15% | 0.148 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -52.3 | -44 | 175.4 | -169.5 | -160.5 | -176.7 | -147.6 | 0 | 111.6 | E83 H205 G232 F236 D237 E238 | E83-K234 IonicContact OE1-NZ 2.81Å; E83-K234 PolarHBondContact OE1-NZ 3.13Å; E83-K234 IonicContact OE2-NZ 3.77Å; E83-K234 PolarHBondContact OE2-NZ 3.04Å; H205-K234 VanDerWaalsContact O-CB 3.32Å; H205-K234 WeakPolarHBondContact O-CB 3.37Å; H205-K234 PolarHBondContact O-N 3.18Å; G232-K234 PolarHBondContact O-N 3.46Å; G232-K234 VanDerWaalsContact O-N 3.08Å; K234-F236 VanDerWaalsContact C-N 3.33Å; K234-F236 PolarHBondContact O-N 3.39Å; K234-D237 CarbonylContact O-C 3.55Å; K234-D237 WeakPolarHBondContact O-CA 3.35Å; K234-D237 WeakPolarHBondContact O-CB 3.41Å; K234-D237 PolarHBondContact O-N 2.97Å; K234-D237 VanDerWaalsContact O-N 3.09Å; K234-E238 VanDerWaalsContact CD-OE1 3.29Å; K234-E238 WeakPolarHBondContact CD-OE1 3.08Å; K234-E238 WeakPolarHBondContact CE-OE1 3.36Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 IonicContact NZ-OE1 3.6Å; K234-E238 PolarHBondContact NZ-OE1 3.34Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 2.74Å |
| 235 | N | 97.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.128 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.5 | -26.8 | -171.3 | -49.3 | 108.8 | 0 | 0 | 0 | 112.7 | F230 L231 G232 G233 E238 K239 L313 | F230-N235 PolarHBondContact O-OD1 2.85Å; L231-N235 WeakPolarHBondContact CA-OD1 3.43Å; G232-N235 PolarHBondContact N-OD1 2.91Å; G232-N235 PolarHBondContact O-N 3.48Å; G232-N235 PolarHBondContact O-OD1 3.41Å; G233-N235 VanDerWaalsContact C-N 3.29Å; G233-N235 PolarHBondContact O-N 3.48Å; N235-E238 WeakPolarHBondContact CA-OE2 3.41Å; N235-E238 PolarHBondContact ND2-OE2 3.28Å; N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 3.44Å; N235-K239 VanDerWaalsContact O-N 3.14Å; N235-L313 HydrophobicContact CB-CD1 3.9Å; N235-L313 HydrophobicContact CB-CD2 4.25Å; N235-L313 WeakPolarHBondContact O-CD1 3.45Å |
| 236 | F | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.2 | -32.8 | 169.8 | -67.9 | -98.5 | 0 | 0 | 0 | 111.5 | M203 G232 G233 K234 L240 K274 F306 C310 L313 L314 I347 V350 | M203-F236 HydrophobicContact CE-CE2 3.68Å; M203-F236 HydrophobicContact CE-CZ 4.38Å; G232-F236 WeakPolarHBondContact O-CD2 3.36Å; G233-F236 PolarHBondContact O-N 3.14Å; K234-F236 VanDerWaalsContact C-N 3.33Å; K234-F236 PolarHBondContact O-N 3.39Å; F236-L240 PolarHBondContact O-N 3.45Å; F236-K274 HydrophobicContact CB-CD 3.7Å; F236-F306 HydrophobicContact CB-CE2 4.06Å; F236-F306 HydrophobicContact CB-CZ 3.94Å; F236-F306 HydrophobicContact CD1-CE2 4.14Å; F236-F306 AromaticContact CD1-CZ 3.67Å; F236-F306 HydrophobicContact CD1-CZ 3.67Å; F236-F306 HydrophobicContact CG-CZ 4.25Å; F236-C310 HydrophobicContact CD1-CB 3.7Å; F236-C310 VanDerWaalsContact CD1-SG 3.56Å; F236-C310 HydrophobicContact CE1-CB 3.69Å; F236-L313 HydrophobicContact CD1-CD1 4.36Å; F236-L313 HydrophobicContact CD2-CD1 4.15Å; F236-L313 HydrophobicContact CE1-CB 4.27Å; F236-L313 HydrophobicContact CE1-CD1 4.46Å; F236-L313 HydrophobicContact CE2-CB 4.22Å; F236-L313 HydrophobicContact CE2-CD1 4.23Å; F236-L313 HydrophobicContact CG-CD1 4.21Å; F236-L313 HydrophobicContact CZ-CB 3.87Å; F236-L313 HydrophobicContact CZ-CD1 4.4Å; F236-L314 HydrophobicContact CE1-CD2 4.07Å; F236-L314 HydrophobicContact CE1-CG 4.36Å; F236-L314 HydrophobicContact CZ-CD2 4.21Å; F236-I347 HydrophobicContact CB-CD1 4.48Å; F236-I347 HydrophobicContact CD1-CD1 3.98Å; F236-I347 HydrophobicContact CD2-CD1 4.36Å; F236-I347 HydrophobicContact CE1-CD1 4.29Å; F236-I347 HydrophobicContact CG-CD1 4.02Å; F236-V350 HydrophobicContact CZ-CG2 4.22Å |
| 237 | D | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.6 | -42.7 | 170.7 | -57.5 | -42.5 | 0 | 0 | 0 | 111 | G233 K234 K239 L240 V241 E271 K274 | G233-D237 PolarHBondContact O-N 2.84Å; G233-D237 VanDerWaalsContact O-OD2 3.08Å; K234-D237 CarbonylContact O-C 3.55Å; K234-D237 WeakPolarHBondContact O-CA 3.35Å; K234-D237 WeakPolarHBondContact O-CB 3.41Å; K234-D237 PolarHBondContact O-N 2.97Å; K234-D237 VanDerWaalsContact O-N 3.09Å; D237-K239 PolarHBondContact O-N 3Å; D237-L240 PolarHBondContact O-N 2.72Å; D237-V241 WeakPolarHBondContact O-CG2 3.28Å; D237-V241 PolarHBondContact O-N 3Å; D237-E271 WeakPolarHBondContact OD1-CA 3.23Å; D237-K274 WeakPolarHBondContact OD1-CD 3.24Å; D237-K274 VanDerWaalsContact OD1-CE 3.23Å; D237-K274 WeakPolarHBondContact OD1-CE 3.35Å; D237-K274 IonicContact OD1-NZ 2.72Å; D237-K274 PolarHBondContact OD1-NZ 3.22Å; D237-K274 IonicContact OD2-NZ 3.32Å; D237-K274 PolarHBondContact OD2-NZ 3.42Å |
| 238 | E | 96.8 | Very high | 97.3 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -48.2 | 176.1 | -73.2 | 166.5 | 168 | 0 | 0 | 111.2 | K234 N235 L240 V241 E242 | K234-E238 VanDerWaalsContact CD-OE1 3.29Å; K234-E238 WeakPolarHBondContact CD-OE1 3.08Å; K234-E238 WeakPolarHBondContact CE-OE1 3.36Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 IonicContact NZ-OE1 3.6Å; K234-E238 PolarHBondContact NZ-OE1 3.34Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 2.74Å; N235-E238 WeakPolarHBondContact CA-OE2 3.41Å; N235-E238 PolarHBondContact ND2-OE2 3.28Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.45Å; E238-V241 PolarHBondContact O-N 3.18Å; E238-E242 WeakPolarHBondContact O-CB 3.48Å; E238-E242 WeakPolarHBondContact O-CG 3.38Å; E238-E242 PolarHBondContact O-N 3.49Å |
| 239 | K | 98.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 176.5 | -73.8 | -68 | -169.6 | 175.4 | 0 | 113.3 | N235 D237 H243 E312 L313 | N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 3.44Å; N235-K239 VanDerWaalsContact O-N 3.14Å; D237-K239 PolarHBondContact O-N 3Å; K239-H243 WeakPolarHBondContact O-CB 3.49Å; K239-H243 PolarHBondContact O-N 3.46Å; K239-H243 VanDerWaalsContact O-N 3.13Å; K239-E312 IonicContact NZ-OE2 3.75Å; K239-E312 PolarHBondContact NZ-OE2 3.4Å; K239-L313 HydrophobicContact CG-CD1 3.89Å |
| 240 | L | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 174.8 | -72.9 | 171.7 | 0 | 0 | 0 | 112 | F236 D237 E238 E242 H243 F244 C270 K274 M277 M301 F306 | F236-L240 PolarHBondContact O-N 3.45Å; D237-L240 PolarHBondContact O-N 2.72Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.45Å; L240-E242 PolarHBondContact O-N 3.02Å; L240-H243 PolarHBondContact O-N 3.08Å; L240-F244 HydrophobicContact CD2-CE2 4.28Å; L240-F244 WeakPolarHBondContact O-CD2 3.33Å; L240-F244 PolarHBondContact O-N 3.21Å; L240-C270 HydrophobicContact CB-CB 3.88Å; L240-C270 HydrophobicContact CD1-CB 4.42Å; L240-K274 HydrophobicContact CD1-CB 4.05Å; L240-M277 HydrophobicContact CD1-CE 3.88Å; L240-M277 HydrophobicContact CD2-CE 4.2Å; L240-M301 HydrophobicContact CD2-CE 4.11Å; L240-M301 HydrophobicContact CD2-CG 4.07Å; L240-F306 HydrophobicContact CD1-CD2 3.91Å; L240-F306 HydrophobicContact CD1-CE2 3.87Å; L240-F306 HydrophobicContact CD2-CD2 3.76Å; L240-F306 HydrophobicContact CD2-CE2 4.46Å; L240-F306 HydrophobicContact CG-CD2 3.8Å; L240-F306 HydrophobicContact CG-CE2 4.01Å |
| 241 | V | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | D237 E238 C245 L263 L266 H267 C270 | D237-V241 WeakPolarHBondContact O-CG2 3.28Å; D237-V241 PolarHBondContact O-N 3Å; E238-V241 PolarHBondContact O-N 3.18Å; V241-C245 VanDerWaalsContact O-CB 3.24Å; V241-C245 WeakPolarHBondContact O-CB 3.45Å; V241-C245 PolarHBondContact O-N 2.76Å; V241-C245 PolarHBondContact O-SG 3.22Å; V241-L263 HydrophobicContact CG1-CD1 3.7Å; V241-L266 HydrophobicContact CG1-CD2 4.18Å; V241-L266 HydrophobicContact CG1-CG 4.37Å; V241-L266 HydrophobicContact CG2-CG 4.29Å; V241-H267 HydrophobicContact CG2-CB 4.44Å; V241-C270 HydrophobicContact CG2-CB 3.81Å; V241-C270 VanDerWaalsContact CG2-SG 3.57Å |
| 242 | E | 97.5 | Very high | 97.5 | Very high | 101 Ų | 101 | 39.9 Ų | 39.9 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.1 | -73.4 | -173.2 | 144.6 | 0 | 0 | 112.1 | E238 L240 C245 A246 | E238-E242 WeakPolarHBondContact O-CB 3.48Å; E238-E242 WeakPolarHBondContact O-CG 3.38Å; E238-E242 PolarHBondContact O-N 3.49Å; L240-E242 PolarHBondContact O-N 3.02Å; E242-C245 PolarHBondContact O-N 3.25Å; E242-A246 PolarHBondContact O-N 3.35Å |
| 243 | H | 98.3 | Very high | 97.5 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 33% | 0.329 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.8 | -53.9 | 175.7 | -178.9 | 91.8 | 0 | 0 | 0 | 111.9 | K239 L240 C245 A246 E247 L309 | K239-H243 WeakPolarHBondContact O-CB 3.49Å; K239-H243 PolarHBondContact O-N 3.46Å; K239-H243 VanDerWaalsContact O-N 3.13Å; L240-H243 PolarHBondContact O-N 3.08Å; H243-C245 PolarHBondContact O-N 3.23Å; H243-A246 WeakPolarHBondContact O-CB 3.31Å; H243-A246 PolarHBondContact O-N 2.73Å; H243-A246 VanDerWaalsContact O-N 3.14Å; H243-E247 PolarHBondContact O-N 3.33Å; H243-L309 HydrophobicContact CB-CD1 4.33Å |
| 244 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.5 | -29 | -179.1 | -66.9 | -56.5 | 0 | 0 | 0 | 113.3 | L240 A246 E247 F248 L266 L273 L286 A299 M301 | L240-F244 HydrophobicContact CD2-CE2 4.28Å; L240-F244 WeakPolarHBondContact O-CD2 3.33Å; L240-F244 PolarHBondContact O-N 3.21Å; F244-A246 VanDerWaalsContact C-N 3.3Å; F244-A246 PolarHBondContact O-N 2.64Å; F244-E247 PolarHBondContact O-N 3.02Å; F244-F248 HydrophobicContact CB-CE1 4.4Å; F244-F248 HydrophobicContact CB-CE2 4.1Å; F244-F248 HydrophobicContact CB-CZ 4.02Å; F244-F248 HydrophobicContact CD1-CE1 4.34Å; F244-F248 HydrophobicContact CD1-CZ 4.38Å; F244-F248 HydrophobicContact CG-CZ 4.41Å; F244-F248 WeakPolarHBondContact O-CB 3.25Å; F244-F248 WeakPolarHBondContact O-CD2 3.41Å; F244-F248 WeakPolarHBondContact O-CG 2.76Å; F244-F248 PolarHBondContact O-N 2.89Å; F244-L266 HydrophobicContact CB-CD1 3.99Å; F244-L266 HydrophobicContact CB-CD2 4.17Å; F244-L266 HydrophobicContact CD2-CD1 4.49Å; F244-L273 HydrophobicContact CE2-CD2 3.74Å; F244-L273 HydrophobicContact CZ-CD2 3.92Å; F244-L286 HydrophobicContact CD2-CD1 4.05Å; F244-L286 HydrophobicContact CE2-CD1 3.85Å; F244-L286 HydrophobicContact CZ-CD1 4.43Å; F244-A299 HydrophobicContact CD1-CB 3.85Å; F244-A299 HydrophobicContact CE1-CB 3.58Å; F244-M301 HydrophobicContact CE1-CE 4.2Å; F244-M301 HydrophobicContact CE2-CE 4.32Å; F244-M301 HydrophobicContact CZ-CB 4.21Å; F244-M301 HydrophobicContact CZ-CE 3.73Å |
| 245 | C | 97.5 | Very high | 97.3 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 167.5 | -75.1 | 0 | 0 | 0 | 0 | 111.2 | V241 E242 H243 K249 | V241-C245 VanDerWaalsContact O-CB 3.24Å; V241-C245 WeakPolarHBondContact O-CB 3.45Å; V241-C245 PolarHBondContact O-N 2.76Å; V241-C245 PolarHBondContact O-SG 3.22Å; E242-C245 PolarHBondContact O-N 3.25Å; H243-C245 PolarHBondContact O-N 3.23Å; C245-K249 WeakPolarHBondContact O-CB 3.45Å; C245-K249 PolarHBondContact O-N 2.97Å; C245-K249 VanDerWaalsContact O-N 3.08Å |
| 246 | A | 98 | Very high | 97.2 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E242 H243 F244 T250 | E242-A246 PolarHBondContact O-N 3.35Å; H243-A246 WeakPolarHBondContact O-CB 3.31Å; H243-A246 PolarHBondContact O-N 2.73Å; H243-A246 VanDerWaalsContact O-N 3.14Å; F244-A246 VanDerWaalsContact C-N 3.3Å; F244-A246 PolarHBondContact O-N 2.64Å; A246-T250 WeakPolarHBondContact O-CB 2.92Å; A246-T250 PolarHBondContact O-N 2.79Å; A246-T250 VanDerWaalsContact O-N 3.13Å; A246-T250 PolarHBondContact O-OG1 3.27Å |
| 247 | E | 97.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 174.4 | -166.1 | -165.9 | 158.6 | 0 | 0 | 110.8 | H243 F244 K249 T250 K251 A299 | H243-E247 PolarHBondContact O-N 3.33Å; F244-E247 PolarHBondContact O-N 3.02Å; E247-K249 PolarHBondContact O-N 3.16Å; E247-T250 CarbonylContact O-C 3.57Å; E247-T250 WeakPolarHBondContact O-CA 3.45Å; E247-T250 WeakPolarHBondContact O-CB 3.12Å; E247-T250 PolarHBondContact O-N 3.11Å; E247-K251 HydrophobicContact CG-CB 4.44Å; E247-K251 HydrophobicContact CG-CD 4.08Å; E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 PolarHBondContact O-N 2.88Å; E247-K251 WeakPolarHBondContact OE1-CD 3.41Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.68Å; E247-K251 PolarHBondContact OE1-NZ 3.17Å; E247-A299 VanDerWaalsContact OE2-CB 3.24Å; E247-A299 WeakPolarHBondContact OE2-CB 3.42Å |
| 248 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -34.2 | -174.2 | -60.5 | -13.9 | 0 | 0 | 0 | 112.9 | F244 T250 Y252 K253 L254 L266 L286 F291 V297 A299 | F244-F248 HydrophobicContact CB-CE1 4.4Å; F244-F248 HydrophobicContact CB-CE2 4.1Å; F244-F248 HydrophobicContact CB-CZ 4.02Å; F244-F248 HydrophobicContact CD1-CE1 4.34Å; F244-F248 HydrophobicContact CD1-CZ 4.38Å; F244-F248 HydrophobicContact CG-CZ 4.41Å; F244-F248 WeakPolarHBondContact O-CB 3.25Å; F244-F248 WeakPolarHBondContact O-CD2 3.41Å; F244-F248 WeakPolarHBondContact O-CG 2.76Å; F244-F248 PolarHBondContact O-N 2.89Å; F248-T250 VanDerWaalsContact C-N 3.27Å; F248-T250 PolarHBondContact O-N 2.94Å; F248-Y252 HydrophobicContact CB-CD2 4.22Å; F248-Y252 AromaticContact CD1-CD2 3.75Å; F248-Y252 HydrophobicContact CD1-CD2 3.75Å; F248-Y252 AromaticContact CD1-CE2 3.84Å; F248-Y252 HydrophobicContact CD1-CE2 3.84Å; F248-Y252 HydrophobicContact CE1-CE2 4.19Å; F248-Y252 HydrophobicContact CG-CD2 4.19Å; F248-Y252 CarbonylContact O-C 3.58Å; F248-Y252 WeakPolarHBondContact O-CA 3.33Å; F248-Y252 PolarHBondContact O-N 2.98Å; F248-K253 PolarHBondContact O-N 2.99Å; F248-L254 CarbonylContact C-O 3.43Å; F248-L254 PolarHBondContact O-N 3.27Å; F248-L266 HydrophobicContact CD2-CD2 4.5Å; F248-L266 HydrophobicContact CE2-CD1 3.92Å; F248-L266 HydrophobicContact CE2-CD2 4.32Å; F248-L286 HydrophobicContact CE2-CD2 4.47Å; F248-L286 HydrophobicContact CZ-CD2 3.76Å; F248-F291 HydrophobicContact CD2-CD1 4.42Å; F248-F291 AromaticContact CD2-CE1 3.77Å; F248-F291 HydrophobicContact CD2-CE1 3.77Å; F248-F291 HydrophobicContact CD2-CZ 4.05Å; F248-F291 HydrophobicContact CE2-CE1 4.27Å; F248-F291 HydrophobicContact CE2-CZ 4.23Å; F248-V297 HydrophobicContact CD1-CB 4.21Å; F248-V297 HydrophobicContact CD1-CG1 4.39Å; F248-V297 HydrophobicContact CD2-CB 4.24Å; F248-V297 HydrophobicContact CD2-CG1 4.16Å; F248-V297 HydrophobicContact CD2-CG2 4.12Å; F248-V297 HydrophobicContact CE1-CB 3.91Å; F248-V297 HydrophobicContact CE1-CG2 4.24Å; F248-V297 HydrophobicContact CE2-CB 3.94Å; F248-V297 HydrophobicContact CE2-CG1 4.35Å; F248-V297 HydrophobicContact CE2-CG2 3.49Å; F248-V297 VanDerWaalsContact CE2-CG2 3.49Å; F248-V297 HydrophobicContact CG-CB 4.37Å; F248-V297 HydrophobicContact CG-CG1 4.18Å; F248-V297 HydrophobicContact CZ-CB 3.77Å; F248-V297 HydrophobicContact CZ-CG2 3.56Å; F248-A299 HydrophobicContact CE1-CB 4.02Å |
| 249 | K | 96.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 60 Ų | 60 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.6 | -31.4 | 171.6 | -169.9 | 164.4 | -178.5 | 166.1 | 0 | 112 | C245 E247 K253 L254 D255 | C245-K249 WeakPolarHBondContact O-CB 3.45Å; C245-K249 PolarHBondContact O-N 2.97Å; C245-K249 VanDerWaalsContact O-N 3.08Å; E247-K249 PolarHBondContact O-N 3.16Å; K249-K253 WeakPolarHBondContact O-CD 3.23Å; K249-L254 VanDerWaalsContact CA-O 3.25Å; K249-L254 WeakPolarHBondContact CA-O 3.48Å; K249-L254 PolarHBondContact N-O 3.29Å; K249-D255 VanDerWaalsContact CE-OD2 3.3Å; K249-D255 WeakPolarHBondContact CE-OD2 3.07Å; K249-D255 IonicContact NZ-OD2 2.73Å; K249-D255 PolarHBondContact NZ-OD2 3.38Å |
| 250 | T | 97.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -80.9 | -48.4 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | A246 E247 F248 K253 | A246-T250 WeakPolarHBondContact O-CB 2.92Å; A246-T250 PolarHBondContact O-N 2.79Å; A246-T250 VanDerWaalsContact O-N 3.13Å; A246-T250 PolarHBondContact O-OG1 3.27Å; E247-T250 CarbonylContact O-C 3.57Å; E247-T250 WeakPolarHBondContact O-CA 3.45Å; E247-T250 WeakPolarHBondContact O-CB 3.12Å; E247-T250 PolarHBondContact O-N 3.11Å; F248-T250 VanDerWaalsContact C-N 3.27Å; F248-T250 PolarHBondContact O-N 2.94Å; T250-K253 WeakPolarHBondContact O-CE 3.34Å; T250-K253 PolarHBondContact O-NZ 3.3Å |
| 251 | K | 97 | Very high | 96 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -85.4 | -49.8 | -169.3 | -175.6 | 177.7 | -179.3 | -173.6 | 0 | 113.2 | E247 S298 | E247-K251 HydrophobicContact CG-CB 4.44Å; E247-K251 HydrophobicContact CG-CD 4.08Å; E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 PolarHBondContact O-N 2.88Å; E247-K251 WeakPolarHBondContact OE1-CD 3.41Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.68Å; E247-K251 PolarHBondContact OE1-NZ 3.17Å; K251-S298 PolarHBondContact NZ-O 3.28Å |
| 252 | Y | 95.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 67 Ų | 67 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -11.1 | -175.3 | -60 | -69.2 | 0 | 0 | 0 | 113.9 | F248 L254 V297 S298 | F248-Y252 HydrophobicContact CB-CD2 4.22Å; F248-Y252 AromaticContact CD1-CD2 3.75Å; F248-Y252 HydrophobicContact CD1-CD2 3.75Å; F248-Y252 AromaticContact CD1-CE2 3.84Å; F248-Y252 HydrophobicContact CD1-CE2 3.84Å; F248-Y252 HydrophobicContact CE1-CE2 4.19Å; F248-Y252 HydrophobicContact CG-CD2 4.19Å; F248-Y252 CarbonylContact O-C 3.58Å; F248-Y252 WeakPolarHBondContact O-CA 3.33Å; F248-Y252 PolarHBondContact O-N 2.98Å; Y252-L254 VanDerWaalsContact C-N 3.29Å; Y252-V297 HydrophobicContact CD2-CB 4.07Å; Y252-V297 HydrophobicContact CD2-CG1 3.6Å; Y252-V297 HydrophobicContact CE2-CB 3.83Å; Y252-V297 HydrophobicContact CE2-CG1 3.9Å; Y252-V297 HydrophobicContact CG-CG1 4.06Å; Y252-S298 PolarHBondContact OH-N 3.1Å; Y252-S298 VanDerWaalsContact OH-N 3.07Å; Y252-S298 PolarHBondContact OH-O 3.04Å |
| 253 | K | 96.4 | Very high | 95.7 | Very high | 162 Ų | 162 | 63.5 Ų | 63.5 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | trans | 60.4 | 35.8 | -170.8 | -48.3 | -51.6 | -173.4 | -168 | 0 | 112.8 | F248 K249 T250 | F248-K253 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CD 3.23Å; T250-K253 WeakPolarHBondContact O-CE 3.34Å; T250-K253 PolarHBondContact O-NZ 3.3Å | ||
| 254 | L | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | trans | -108 | 129.7 | 179.1 | -60.7 | 175 | 0 | 0 | 0 | 109.8 | F248 K249 Y252 F291 M292 K295 V297 | F248-L254 CarbonylContact C-O 3.43Å; F248-L254 PolarHBondContact O-N 3.27Å; K249-L254 VanDerWaalsContact CA-O 3.25Å; K249-L254 WeakPolarHBondContact CA-O 3.48Å; K249-L254 PolarHBondContact N-O 3.29Å; Y252-L254 VanDerWaalsContact C-N 3.29Å; L254-F291 HydrophobicContact CD1-CD1 4.16Å; L254-M292 HydrophobicContact CB-SD 4.18Å; L254-M292 HydrophobicContact CD1-CB 4.28Å; L254-M292 HydrophobicContact CD2-CB 4.02Å; L254-K295 HydrophobicContact CD1-CB 4.15Å; L254-K295 HydrophobicContact CD1-CD 4.44Å; L254-K295 HydrophobicContact CD2-CD 4.36Å; L254-V297 HydrophobicContact CD1-CG1 3.83Å | ||
| 255 | D | 95.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | trans | -105.9 | 92.8 | 177.1 | -164.6 | -33.6 | 0 | 0 | 0 | 110.5 | K249 K257 S258 M292 | K249-D255 VanDerWaalsContact CE-OD2 3.3Å; K249-D255 WeakPolarHBondContact CE-OD2 3.07Å; K249-D255 IonicContact NZ-OD2 2.73Å; K249-D255 PolarHBondContact NZ-OD2 3.38Å; D255-K257 PolarHBondContact O-N 2.74Å; D255-K257 PolarHBondContact OD1-N 3.21Å; D255-S258 WeakPolarHBondContact O-CB 3.17Å; D255-S258 PolarHBondContact O-N 3.33Å; D255-S258 PolarHBondContact O-OG 3.49Å; D255-M292 WeakPolarHBondContact O-CE 3.36Å | ||
| 256 | A | 93.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S258 K259 L266 F291 | A256-S258 PolarHBondContact O-N 2.89Å; A256-K259 PolarHBondContact O-N 3.35Å; A256-L266 HydrophobicContact CB-CD2 4.3Å; A256-F291 HydrophobicContact CB-CE1 4.06Å; A256-F291 HydrophobicContact CB-CZ 3.71Å |
| 257 | K | 92.5 | Very high | 95.4 | Very high | 123 Ų | 123 | 64.9 Ų | 64.9 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -68 | -16.8 | -179.7 | -62.5 | -166.5 | 177.3 | -168.9 | 0 | 112.4 | D255 K259 L263 | D255-K257 PolarHBondContact O-N 2.74Å; D255-K257 PolarHBondContact OD1-N 3.21Å; K257-K259 VanDerWaalsContact C-N 3.35Å; K257-L263 HydrophobicContact CG-CD1 4.33Å |
| 258 | S | 93.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -77.8 | -10.2 | 174.9 | 74.5 | 0 | 0 | 0 | 0 | 115.3 | D255 A256 | D255-S258 WeakPolarHBondContact O-CB 3.17Å; D255-S258 PolarHBondContact O-N 3.33Å; D255-S258 PolarHBondContact O-OG 3.49Å; A256-S258 PolarHBondContact O-N 2.89Å |
| 259 | K | 92.6 | Very high | 95.3 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | trans | -140.9 | 106.5 | -178.4 | -65.7 | -64 | 175.6 | -173.9 | 0 | 111.4 | A256 K257 R261 A262 L263 M292 | A256-K259 PolarHBondContact O-N 3.35Å; K257-K259 VanDerWaalsContact C-N 3.35Å; K259-R261 VanDerWaalsContact C-N 3.27Å; K259-R261 PolarHBondContact O-N 3.2Å; K259-R261 VanDerWaalsContact O-N 3.11Å; K259-A262 HydrophobicContact CB-CB 4.19Å; K259-A262 WeakPolarHBondContact O-CB 3.32Å; K259-A262 PolarHBondContact O-N 3.41Å; K259-L263 PolarHBondContact O-N 2.86Å; K259-M292 HydrophobicContact CB-CE 4.24Å; K259-M292 HydrophobicContact CG-CE 3.79Å | ||
| 260 | I | 92.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.4 | -39.2 | -175.8 | -169.5 | 58.7 | 0 | 0 | 0 | 114 | A60 A262 L263 L264 | A60-I260 HydrophobicContact CB-CG1 4.4Å; A60-I260 HydrophobicContact CB-CG2 4.25Å; I260-A262 VanDerWaalsContact C-N 3.34Å; I260-A262 PolarHBondContact O-N 2.94Å; I260-L263 PolarHBondContact O-N 3.34Å; I260-L264 HydrophobicContact CD1-CD1 4.45Å; I260-L264 HydrophobicContact CD1-CG 4.23Å; I260-L264 HydrophobicContact CG1-CD1 4.02Å; I260-L264 HydrophobicContact CG1-CG 4.29Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.31Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 3.41Å |
| 261 | R | 93.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 57.9 Ų | 57.9 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.4 | -65.9 | -164 | 171.8 | 148.1 | -2.6 | 113.4 | I57 T58 K259 R265 | I57-R261 HydrophobicContact CG2-CB 4.24Å; I57-R261 WeakPolarHBondContact O-CD 3.49Å; I57-R261 VanDerWaalsContact O-CG 3.3Å; I57-R261 WeakPolarHBondContact O-CG 3.44Å; I57-R261 PolarHBondContact O-NE 2.96Å; T58-R261 PolarHBondContact O-NE 3.45Å; T58-R261 PolarHBondContact O-NH2 3.18Å; K259-R261 VanDerWaalsContact C-N 3.27Å; K259-R261 PolarHBondContact O-N 3.2Å; K259-R261 VanDerWaalsContact O-N 3.11Å; R261-R265 VanDerWaalsContact O-CG 3.31Å; R261-R265 WeakPolarHBondContact O-CG 3.34Å; R261-R265 PolarHBondContact O-N 3.25Å; R261-R265 VanDerWaalsContact O-N 3.17Å |
| 262 | A | 94.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.8 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K259 I260 L264 R265 L266 F291 M292 | K259-A262 HydrophobicContact CB-CB 4.19Å; K259-A262 WeakPolarHBondContact O-CB 3.32Å; K259-A262 PolarHBondContact O-N 3.41Å; I260-A262 VanDerWaalsContact C-N 3.34Å; I260-A262 PolarHBondContact O-N 2.94Å; A262-L264 PolarHBondContact O-N 3.39Å; A262-R265 PolarHBondContact O-N 3.41Å; A262-L266 PolarHBondContact O-N 2.95Å; A262-F291 HydrophobicContact CB-CE2 4.12Å; A262-F291 HydrophobicContact CB-CZ 4.12Å; A262-F291 VanDerWaalsContact O-CE2 3.28Å; A262-F291 WeakPolarHBondContact O-CE2 3.39Å; A262-M292 HydrophobicContact CB-CG 3.46Å; A262-M292 VanDerWaalsContact CB-CG 3.46Å; A262-M292 HydrophobicContact CB-SD 3.95Å |
| 263 | L | 95.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -45 | 174 | -172.4 | 60 | 0 | 0 | 0 | 111.6 | V241 K257 K259 I260 L266 H267 | V241-L263 HydrophobicContact CG1-CD1 3.7Å; K257-L263 HydrophobicContact CG-CD1 4.33Å; K259-L263 PolarHBondContact O-N 2.86Å; I260-L263 PolarHBondContact O-N 3.34Å; L263-L266 PolarHBondContact O-N 3.32Å; L263-H267 PolarHBondContact O-CD2 2.73Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 3.28Å |
| 264 | L | 94.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 176.8 | -73.7 | 172.1 | 0 | 0 | 0 | 113 | I57 A60 I260 A262 L266 H267 Q268 | I57-L264 HydrophobicContact CG1-CB 4.16Å; A60-L264 HydrophobicContact CB-CD1 3.53Å; I260-L264 HydrophobicContact CD1-CD1 4.45Å; I260-L264 HydrophobicContact CD1-CG 4.23Å; I260-L264 HydrophobicContact CG1-CD1 4.02Å; I260-L264 HydrophobicContact CG1-CG 4.29Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.31Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 3.41Å; A262-L264 PolarHBondContact O-N 3.39Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-H267 PolarHBondContact O-N 2.96Å; L264-Q268 WeakPolarHBondContact O-CG 3.49Å; L264-Q268 PolarHBondContact O-N 2.76Å; L264-Q268 VanDerWaalsContact O-N 3.09Å |
| 265 | R | 95.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 54 Ų | 54 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.2 | -47 | 170.4 | -75.5 | 166.7 | 173.1 | -178.7 | -10.1 | 111.1 | I57 R261 A262 H267 Q268 E269 I288 C290 F291 | I57-R265 HydrophobicContact CD1-CG 3.72Å; I57-R265 HydrophobicContact CG1-CG 4.33Å; I57-R265 HydrophobicContact CG2-CG 4.15Å; R261-R265 VanDerWaalsContact O-CG 3.31Å; R261-R265 WeakPolarHBondContact O-CG 3.34Å; R261-R265 PolarHBondContact O-N 3.25Å; R261-R265 VanDerWaalsContact O-N 3.17Å; A262-R265 PolarHBondContact O-N 3.41Å; R265-H267 PolarHBondContact O-N 3.06Å; R265-Q268 PolarHBondContact O-N 3.47Å; R265-E269 PolarHBondContact O-N 2.66Å; R265-E269 VanDerWaalsContact O-N 3.08Å; R265-I288 HydrophobicContact CB-CG2 4.43Å; R265-C290 PolarHBondContact NH1-O 3.39Å; R265-F291 PolarHBondContact NH1-O 3.19Å |
| 266 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 178.8 | -172.9 | 54 | 0 | 0 | 0 | 112.1 | V241 F244 F248 A256 A262 L263 L264 Q268 E269 C270 L286 I288 F291 | V241-L266 HydrophobicContact CG1-CD2 4.18Å; V241-L266 HydrophobicContact CG1-CG 4.37Å; V241-L266 HydrophobicContact CG2-CG 4.29Å; F244-L266 HydrophobicContact CB-CD1 3.99Å; F244-L266 HydrophobicContact CB-CD2 4.17Å; F244-L266 HydrophobicContact CD2-CD1 4.49Å; F248-L266 HydrophobicContact CD2-CD2 4.5Å; F248-L266 HydrophobicContact CE2-CD1 3.92Å; F248-L266 HydrophobicContact CE2-CD2 4.32Å; A256-L266 HydrophobicContact CB-CD2 4.3Å; A262-L266 PolarHBondContact O-N 2.95Å; L263-L266 PolarHBondContact O-N 3.32Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-Q268 PolarHBondContact O-N 2.95Å; L266-E269 PolarHBondContact O-N 3.11Å; L266-C270 VanDerWaalsContact O-CB 3.31Å; L266-C270 WeakPolarHBondContact O-CB 3.39Å; L266-C270 PolarHBondContact O-N 3.06Å; L266-C270 PolarHBondContact O-SG 3.14Å; L266-L286 HydrophobicContact CD1-CD1 4.39Å; L266-L286 HydrophobicContact CD1-CD2 4.27Å; L266-I288 HydrophobicContact CB-CD1 4.49Å; L266-I288 HydrophobicContact CD1-CD1 3.92Å; L266-F291 HydrophobicContact CB-CE2 4.05Å; L266-F291 HydrophobicContact CB-CZ 4.28Å; L266-F291 HydrophobicContact CD2-CZ 4.35Å |
| 267 | H | 96.1 | Very high | 96 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 29% | 0.292 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 172.5 | -86.4 | -82.8 | 0 | 0 | 0 | 112.5 | V241 L263 L264 R265 E271 | V241-H267 HydrophobicContact CG2-CB 4.44Å; L263-H267 PolarHBondContact O-CD2 2.73Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 3.28Å; L264-H267 PolarHBondContact O-N 2.96Å; R265-H267 PolarHBondContact O-N 3.06Å; H267-E271 WeakPolarHBondContact O-CB 3.49Å; H267-E271 PolarHBondContact O-N 3.06Å |
| 268 | Q | 95.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 178.9 | -70 | -174.2 | 8.5 | 0 | 0 | 112.3 | L264 R265 L266 E271 K272 | L264-Q268 WeakPolarHBondContact O-CG 3.49Å; L264-Q268 PolarHBondContact O-N 2.76Å; L264-Q268 VanDerWaalsContact O-N 3.09Å; R265-Q268 PolarHBondContact O-N 3.47Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-Q268 PolarHBondContact O-N 2.95Å; Q268-E271 PolarHBondContact O-N 2.98Å; Q268-K272 WeakPolarHBondContact O-CG 3.38Å; Q268-K272 PolarHBondContact O-N 2.97Å; Q268-K272 VanDerWaalsContact O-N 3.08Å |
| 269 | E | 97.8 | Very high | 96.3 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73 | -35 | 177.4 | -58.1 | -38.9 | 117.1 | 0 | 0 | 112.9 | R265 L266 K272 L273 L286 I288 | R265-E269 PolarHBondContact O-N 2.66Å; R265-E269 VanDerWaalsContact O-N 3.08Å; L266-E269 PolarHBondContact O-N 3.11Å; E269-K272 PolarHBondContact O-N 3.14Å; E269-K272 IonicContact OE1-NZ 3.66Å; E269-K272 PolarHBondContact OE1-NZ 2.63Å; E269-K272 WeakPolarHBondContact OE2-CD 3.14Å; E269-K272 IonicContact OE2-NZ 3.8Å; E269-K272 PolarHBondContact OE2-NZ 2.94Å; E269-L273 VanDerWaalsContact O-CB 3.25Å; E269-L273 WeakPolarHBondContact O-CB 3.23Å; E269-L273 PolarHBondContact O-N 3.15Å; E269-L286 HydrophobicContact CB-CD1 3.83Å; E269-L286 HydrophobicContact CB-CG 4.16Å; E269-I288 HydrophobicContact CB-CD1 4.08Å; E269-I288 HydrophobicContact CB-CG1 4.42Å; E269-I288 HydrophobicContact CG-CD1 3.83Å; E269-I288 HydrophobicContact CG-CG1 3.93Å |
| 270 | C | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 170.5 | -72.9 | 0 | 0 | 0 | 0 | 112 | L240 V241 L266 L273 K274 | L240-C270 HydrophobicContact CB-CB 3.88Å; L240-C270 HydrophobicContact CD1-CB 4.42Å; V241-C270 HydrophobicContact CG2-CB 3.81Å; V241-C270 VanDerWaalsContact CG2-SG 3.57Å; L266-C270 VanDerWaalsContact O-CB 3.31Å; L266-C270 WeakPolarHBondContact O-CB 3.39Å; L266-C270 PolarHBondContact O-N 3.06Å; L266-C270 PolarHBondContact O-SG 3.14Å; C270-L273 PolarHBondContact O-N 3.42Å; C270-K274 WeakPolarHBondContact O-CB 3.48Å; C270-K274 PolarHBondContact O-N 3.16Å |
| 271 | E | 97.5 | Very high | 96.6 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 177.5 | -164.7 | -161.7 | 156.2 | 0 | 0 | 111.8 | Q11 D237 H267 Q268 K275 | Q11-E271 PolarHBondContact NE2-OE1 3.38Å; Q11-E271 PolarHBondContact NE2-OE2 3.26Å; D237-E271 WeakPolarHBondContact OD1-CA 3.23Å; H267-E271 WeakPolarHBondContact O-CB 3.49Å; H267-E271 PolarHBondContact O-N 3.06Å; Q268-E271 PolarHBondContact O-N 2.98Å; E271-K275 WeakPolarHBondContact O-CG 3.33Å; E271-K275 PolarHBondContact O-N 2.7Å; E271-K275 WeakPolarHBondContact OE1-CE 3.46Å; E271-K275 IonicContact OE1-NZ 2.9Å; E271-K275 PolarHBondContact OE1-NZ 3.09Å |
| 272 | K | 97.6 | Very high | 96.7 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 172 | -72.7 | 161.2 | 170.7 | 176.5 | 0 | 111.1 | Q268 E269 K274 K275 L276 | Q268-K272 WeakPolarHBondContact O-CG 3.38Å; Q268-K272 PolarHBondContact O-N 2.97Å; Q268-K272 VanDerWaalsContact O-N 3.08Å; E269-K272 PolarHBondContact O-N 3.14Å; E269-K272 IonicContact OE1-NZ 3.66Å; E269-K272 PolarHBondContact OE1-NZ 2.63Å; E269-K272 WeakPolarHBondContact OE2-CD 3.14Å; E269-K272 IonicContact OE2-NZ 3.8Å; E269-K272 PolarHBondContact OE2-NZ 2.94Å; K272-K274 PolarHBondContact O-N 3.42Å; K272-K275 WeakPolarHBondContact O-CB 3.48Å; K272-K275 PolarHBondContact O-N 2.86Å; K272-K275 VanDerWaalsContact O-N 3.13Å; K272-L276 WeakPolarHBondContact O-CG 3.2Å; K272-L276 PolarHBondContact O-N 3.27Å |
| 273 | L | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | -179.3 | -170.4 | 67.1 | 0 | 0 | 0 | 111.7 | F244 E269 C270 K275 L276 M277 L284 L286 M301 | F244-L273 HydrophobicContact CE2-CD2 3.74Å; F244-L273 HydrophobicContact CZ-CD2 3.92Å; E269-L273 VanDerWaalsContact O-CB 3.25Å; E269-L273 WeakPolarHBondContact O-CB 3.23Å; E269-L273 PolarHBondContact O-N 3.15Å; C270-L273 PolarHBondContact O-N 3.42Å; L273-K275 PolarHBondContact O-N 2.71Å; L273-L276 PolarHBondContact O-N 3.12Å; L273-M277 HydrophobicContact CG-CE 4.14Å; L273-M277 WeakPolarHBondContact O-CB 3.48Å; L273-M277 WeakPolarHBondContact O-CG 3.14Å; L273-M277 PolarHBondContact O-N 2.75Å; L273-L284 HydrophobicContact CD1-CB 3.65Å; L273-L284 HydrophobicContact CD1-CD1 4.44Å; L273-L286 HydrophobicContact CD2-CB 4.22Å; L273-L286 HydrophobicContact CD2-CD1 3.97Å; L273-M301 HydrophobicContact CD2-CB 3.74Å; L273-M301 HydrophobicContact CG-CB 4.4Å |
| 274 | K | 98.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 173 | -176.6 | -175.2 | 75.1 | -159.5 | 0 | 112.5 | G233 F236 D237 L240 C270 K272 M277 S278 F306 I347 | G233-K274 PolarHBondContact O-NZ 3.02Å; F236-K274 HydrophobicContact CB-CD 3.7Å; D237-K274 WeakPolarHBondContact OD1-CD 3.24Å; D237-K274 VanDerWaalsContact OD1-CE 3.23Å; D237-K274 WeakPolarHBondContact OD1-CE 3.35Å; D237-K274 IonicContact OD1-NZ 2.72Å; D237-K274 PolarHBondContact OD1-NZ 3.22Å; D237-K274 IonicContact OD2-NZ 3.32Å; D237-K274 PolarHBondContact OD2-NZ 3.42Å; L240-K274 HydrophobicContact CD1-CB 4.05Å; C270-K274 WeakPolarHBondContact O-CB 3.48Å; C270-K274 PolarHBondContact O-N 3.16Å; K272-K274 PolarHBondContact O-N 3.42Å; K274-M277 PolarHBondContact O-N 2.95Å; K274-S278 PolarHBondContact O-N 3.19Å; K274-S278 PolarHBondContact O-OG 3.27Å; K274-F306 HydrophobicContact CD-CZ 4.25Å; K274-F306 HydrophobicContact CG-CE1 4.37Å; K274-F306 HydrophobicContact CG-CE2 4.34Å; K274-F306 HydrophobicContact CG-CZ 3.75Å; K274-I347 HydrophobicContact CD-CD1 4.27Å; K274-I347 HydrophobicContact CG-CD1 4.44Å |
| 275 | K | 97.7 | Very high | 97 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 177 | -70 | 171.2 | -173.8 | 174.4 | 0 | 111.3 | E271 K272 L273 S278 | E271-K275 WeakPolarHBondContact O-CG 3.33Å; E271-K275 PolarHBondContact O-N 2.7Å; E271-K275 WeakPolarHBondContact OE1-CE 3.46Å; E271-K275 IonicContact OE1-NZ 2.9Å; E271-K275 PolarHBondContact OE1-NZ 3.09Å; K272-K275 WeakPolarHBondContact O-CB 3.48Å; K272-K275 PolarHBondContact O-N 2.86Å; K272-K275 VanDerWaalsContact O-N 3.13Å; L273-K275 PolarHBondContact O-N 2.71Å; K275-S278 VanDerWaalsContact O-CB 3.3Å; K275-S278 WeakPolarHBondContact O-CB 3.35Å; K275-S278 PolarHBondContact O-N 3.34Å; K275-S278 VanDerWaalsContact O-N 3.14Å |
| 276 | L | 97.9 | Very high | 97.1 | Very high | 91 Ų | 91 | 49 Ų | 49 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -39 | 176.5 | -67.3 | 170.4 | 0 | 0 | 0 | 112.5 | K272 L273 S278 S279 N280 L284 | K272-L276 WeakPolarHBondContact O-CG 3.2Å; K272-L276 PolarHBondContact O-N 3.27Å; L273-L276 PolarHBondContact O-N 3.12Å; L276-S278 PolarHBondContact O-N 3.14Å; L276-S279 PolarHBondContact O-N 3.36Å; L276-S279 PolarHBondContact O-OG 3.35Å; L276-S279 VanDerWaalsContact O-OG 3.13Å; L276-N280 PolarHBondContact O-N 3.18Å; L276-L284 HydrophobicContact CB-CD1 3.67Å |
| 277 | M | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -18.4 | 173.7 | -74 | -174.5 | -59.7 | 0 | 0 | 113.3 | L240 L273 K274 S279 N280 L284 M301 R303 F306 | L240-M277 HydrophobicContact CD1-CE 3.88Å; L240-M277 HydrophobicContact CD2-CE 4.2Å; L273-M277 HydrophobicContact CG-CE 4.14Å; L273-M277 WeakPolarHBondContact O-CB 3.48Å; L273-M277 WeakPolarHBondContact O-CG 3.14Å; L273-M277 PolarHBondContact O-N 2.75Å; K274-M277 PolarHBondContact O-N 2.95Å; M277-S279 VanDerWaalsContact C-N 3.33Å; M277-N280 CarbonylContact C-O 3.59Å; M277-N280 WeakPolarHBondContact CA-O 3.24Å; M277-L284 HydrophobicContact CB-CD1 4.46Å; M277-L284 HydrophobicContact CG-CD1 3.68Å; M277-M301 HydrophobicContact CE-CG 4.08Å; M277-M301 HydrophobicContact SD-CB 3.95Å; M277-M301 HydrophobicContact SD-CG 3.48Å; M277-M301 WeakPolarHBondContact SD-CG 3.33Å; M277-R303 VanDerWaalsContact O-CZ 3.31Å; M277-R303 PolarHBondContact O-NE 3.06Å; M277-R303 PolarHBondContact O-NH2 3.05Å; M277-F306 HydrophobicContact CE-CB 3.58Å; M277-F306 HydrophobicContact CE-CD1 3.75Å; M277-F306 HydrophobicContact CE-CD2 3.73Å; M277-F306 HydrophobicContact CE-CE1 4.35Å; M277-F306 HydrophobicContact CE-CE2 4.33Å; M277-F306 HydrophobicContact CE-CG 3.39Å; M277-F306 HydrophobicContact SD-CB 3.58Å; M277-F306 VanDerWaalsContact SD-CB 3.58Å; M277-F306 HydrophobicContact SD-CD1 4.3Å; M277-F306 HydrophobicContact SD-CG 4.01Å |
| 278 | S | 96.8 | Very high | 97 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.8 | -25.6 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | K274 K275 L276 | K274-S278 PolarHBondContact O-N 3.19Å; K274-S278 PolarHBondContact O-OG 3.27Å; K275-S278 VanDerWaalsContact O-CB 3.3Å; K275-S278 WeakPolarHBondContact O-CB 3.35Å; K275-S278 PolarHBondContact O-N 3.34Å; K275-S278 VanDerWaalsContact O-N 3.14Å; L276-S278 PolarHBondContact O-N 3.14Å |
| 279 | S | 95.7 | Very high | 97 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 69% | 0.685 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -99.6 | -51.7 | 173.3 | 56 | 0 | 0 | 0 | 0 | 112.2 | L276 M277 R303 | L276-S279 PolarHBondContact O-N 3.36Å; L276-S279 PolarHBondContact O-OG 3.35Å; L276-S279 VanDerWaalsContact O-OG 3.13Å; M277-S279 VanDerWaalsContact C-N 3.33Å; S279-R303 PolarHBondContact O-NH2 3.28Å |
| 280 | N | 95.9 | Very high | 96.7 | Very high | 61 Ų | 61 | 58 Ų | 58 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | trans | -93.1 | 146 | 179.9 | -168.7 | 3.9 | 0 | 0 | 0 | 112.5 | L276 M277 T282 L284 R303 | L276-N280 PolarHBondContact O-N 3.18Å; M277-N280 CarbonylContact C-O 3.59Å; M277-N280 WeakPolarHBondContact CA-O 3.24Å; N280-T282 PolarHBondContact ND2-OG1 3.13Å; N280-T282 PolarHBondContact OD1-N 3.45Å; N280-T282 PolarHBondContact OD1-OG1 2.83Å; N280-L284 HydrophobicContact CB-CD1 4.41Å; N280-L284 HydrophobicContact CB-CD2 4.45Å; N280-R303 PolarHBondContact O-NH2 2.86Å | ||
| 281 | S | 95.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -106.6 | -12.6 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 282 | T | 96.1 | Very high | 96.3 | Very high | 75 Ų | 75 | 57.8 Ų | 57.8 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -69.8 | 174 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | N280 L284 N302 | N280-T282 PolarHBondContact ND2-OG1 3.13Å; N280-T282 PolarHBondContact OD1-N 3.45Å; N280-T282 PolarHBondContact OD1-OG1 2.83Å; T282-L284 PolarHBondContact O-N 3.19Å; T282-N302 WeakPolarHBondContact O-CA 3.31Å; T282-N302 WeakPolarHBondContact O-CB 3.4Å |
| 283 | D | 96.6 | Very high | 96 | Very high | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | trans | -53.6 | 131.8 | 159.1 | -74.5 | -20.2 | 0 | 0 | 0 | 110 | K300 N302 | D283-K300 HydrophobicContact CB-CD 4.12Å; D283-K300 WeakPolarHBondContact OD2-CE 3.47Å; D283-K300 IonicContact OD2-NZ 2.65Å; D283-K300 PolarHBondContact OD2-NZ 3.41Å; D283-N302 PolarHBondContact OD1-ND2 3.18Å | ||
| 284 | L | 97.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.7 | 174.4 | -72.4 | 168.2 | 0 | 0 | 0 | 108.7 | L273 L276 M277 N280 T282 K300 M301 | L273-L284 HydrophobicContact CD1-CB 3.65Å; L273-L284 HydrophobicContact CD1-CD1 4.44Å; L276-L284 HydrophobicContact CB-CD1 3.67Å; M277-L284 HydrophobicContact CB-CD1 4.46Å; M277-L284 HydrophobicContact CG-CD1 3.68Å; N280-L284 HydrophobicContact CB-CD1 4.41Å; N280-L284 HydrophobicContact CB-CD2 4.45Å; T282-L284 PolarHBondContact O-N 3.19Å; L284-K300 CarbonylContact O-C 3.2Å; L284-K300 WeakPolarHBondContact O-CA 3.31Å; L284-K300 WeakPolarHBondContact O-CB 3.42Å; L284-M301 PolarHBondContact N-O 2.87Å; L284-M301 PolarHBondContact O-N 3.09Å |
| 285 | P | 97.1 | Very high | 95.4 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 148.3 | 179.4 | 31.8 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 286 | L | 97.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.4 | 160.5 | 179 | 144.3 | 0 | 0 | 0 | 107.1 | F244 F248 L266 E269 L273 I288 S298 A299 | F244-L286 HydrophobicContact CD2-CD1 4.05Å; F244-L286 HydrophobicContact CE2-CD1 3.85Å; F244-L286 HydrophobicContact CZ-CD1 4.43Å; F248-L286 HydrophobicContact CE2-CD2 4.47Å; F248-L286 HydrophobicContact CZ-CD2 3.76Å; L266-L286 HydrophobicContact CD1-CD1 4.39Å; L266-L286 HydrophobicContact CD1-CD2 4.27Å; E269-L286 HydrophobicContact CB-CD1 3.83Å; E269-L286 HydrophobicContact CB-CG 4.16Å; L273-L286 HydrophobicContact CD2-CB 4.22Å; L273-L286 HydrophobicContact CD2-CD1 3.97Å; L286-I288 HydrophobicContact CD2-CD1 4.07Å; L286-I288 HydrophobicContact CD2-CG1 3.99Å; L286-S298 CarbonylContact O-C 3.53Å; L286-S298 WeakPolarHBondContact O-CA 3.35Å; L286-A299 PolarHBondContact N-O 2.9Å; L286-A299 PolarHBondContact O-N 3.26Å |
| 287 | N | 96.8 | Very high | 95.3 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.6 | -179.9 | -63.5 | -31 | 0 | 0 | 0 | 108.1 | V297 S298 | N287-V297 CarbonylContact C-O 3.52Å; N287-V297 WeakPolarHBondContact CA-O 3.3Å; N287-S298 VanDerWaalsContact OD1-CB 3.29Å; N287-S298 WeakPolarHBondContact OD1-CB 3.29Å; N287-S298 PolarHBondContact OD1-OG 3.36Å |
| 288 | I | 96.1 | Very high | 95.3 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.8 | 175.5 | -36.2 | -174.4 | 0 | 0 | 0 | 109.2 | R265 L266 E269 L286 F291 D296 V297 | R265-I288 HydrophobicContact CB-CG2 4.43Å; L266-I288 HydrophobicContact CB-CD1 4.49Å; L266-I288 HydrophobicContact CD1-CD1 3.92Å; E269-I288 HydrophobicContact CB-CD1 4.08Å; E269-I288 HydrophobicContact CB-CG1 4.42Å; E269-I288 HydrophobicContact CG-CD1 3.83Å; E269-I288 HydrophobicContact CG-CG1 3.93Å; L286-I288 HydrophobicContact CD2-CD1 4.07Å; L286-I288 HydrophobicContact CD2-CG1 3.99Å; I288-F291 HydrophobicContact CB-CB 4.38Å; I288-F291 HydrophobicContact CB-CD2 4.03Å; I288-F291 HydrophobicContact CD1-CD2 3.96Å; I288-F291 HydrophobicContact CD1-CE2 3.97Å; I288-F291 HydrophobicContact CG2-CB 4.5Å; I288-F291 HydrophobicContact CG2-CD2 3.93Å; I288-D296 WeakPolarHBondContact O-CA 3.28Å; I288-V297 HydrophobicContact CB-CG2 3.8Å; I288-V297 HydrophobicContact CD1-CG2 4.38Å; I288-V297 HydrophobicContact CG1-CG2 3.98Å; I288-V297 PolarHBondContact N-O 3.02Å; I288-V297 PolarHBondContact O-N 2.9Å |
| 289 | E | 95.3 | Very high | 95.3 | Very high | 158 Ų | 158 | 66 Ų | 66 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 146.8 | 177.8 | -65.4 | 174.3 | -175.5 | 0 | 0 | 111.4 | F291 D296 | E289-F291 PolarHBondContact O-N 2.89Å; E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.2Å |
| 290 | C | 91.9 | Very high | 95.4 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 48% | 0.48 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.5 | 41.8 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | R265 D296 | R265-C290 PolarHBondContact NH1-O 3.39Å; C290-D296 PolarHBondContact N-OD1 3.17Å |
| 291 | F | 93.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -53.2 | -168.2 | 178.2 | -112.2 | 0 | 0 | 0 | 112 | F248 L254 A256 A262 R265 L266 I288 E289 K295 V297 | F248-F291 HydrophobicContact CD2-CD1 4.42Å; F248-F291 AromaticContact CD2-CE1 3.77Å; F248-F291 HydrophobicContact CD2-CE1 3.77Å; F248-F291 HydrophobicContact CD2-CZ 4.05Å; F248-F291 HydrophobicContact CE2-CE1 4.27Å; F248-F291 HydrophobicContact CE2-CZ 4.23Å; L254-F291 HydrophobicContact CD1-CD1 4.16Å; A256-F291 HydrophobicContact CB-CE1 4.06Å; A256-F291 HydrophobicContact CB-CZ 3.71Å; A262-F291 HydrophobicContact CB-CE2 4.12Å; A262-F291 HydrophobicContact CB-CZ 4.12Å; A262-F291 VanDerWaalsContact O-CE2 3.28Å; A262-F291 WeakPolarHBondContact O-CE2 3.39Å; R265-F291 PolarHBondContact NH1-O 3.19Å; L266-F291 HydrophobicContact CB-CE2 4.05Å; L266-F291 HydrophobicContact CB-CZ 4.28Å; L266-F291 HydrophobicContact CD2-CZ 4.35Å; I288-F291 HydrophobicContact CB-CB 4.38Å; I288-F291 HydrophobicContact CB-CD2 4.03Å; I288-F291 HydrophobicContact CD1-CD2 3.96Å; I288-F291 HydrophobicContact CD1-CE2 3.97Å; I288-F291 HydrophobicContact CG2-CB 4.5Å; I288-F291 HydrophobicContact CG2-CD2 3.93Å; E289-F291 PolarHBondContact O-N 2.89Å; F291-K295 WeakPolarHBondContact CB-O 3.4Å; F291-K295 PolarHBondContact N-O 3.34Å; F291-V297 HydrophobicContact CB-CG1 4.11Å; F291-V297 HydrophobicContact CB-CG2 3.83Å; F291-V297 HydrophobicContact CD1-CB 4.49Å; F291-V297 HydrophobicContact CD1-CG1 3.67Å; F291-V297 HydrophobicContact CD1-CG2 3.94Å; F291-V297 HydrophobicContact CD2-CG2 4.1Å; F291-V297 HydrophobicContact CE1-CG1 4.44Å; F291-V297 HydrophobicContact CG-CG1 4.1Å; F291-V297 HydrophobicContact CG-CG2 3.68Å |
| 292 | M | 92.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 142.6 | 172.6 | -67.3 | -179.1 | 65.8 | 0 | 0 | 109.9 | L254 D255 K259 A262 D294 K295 | L254-M292 HydrophobicContact CB-SD 4.18Å; L254-M292 HydrophobicContact CD1-CB 4.28Å; L254-M292 HydrophobicContact CD2-CB 4.02Å; D255-M292 WeakPolarHBondContact O-CE 3.36Å; K259-M292 HydrophobicContact CB-CE 4.24Å; K259-M292 HydrophobicContact CG-CE 3.79Å; A262-M292 HydrophobicContact CB-CG 3.46Å; A262-M292 VanDerWaalsContact CB-CG 3.46Å; A262-M292 HydrophobicContact CB-SD 3.95Å; M292-D294 PolarHBondContact O-N 3.47Å; M292-K295 PolarHBondContact O-N 3.27Å; M292-K295 VanDerWaalsContact O-N 3.09Å |
| 293 | N | 91.4 | Very high | 95.7 | Very high | 121 Ų | 121 | 60.7 Ų | 60.7 | 65% | 0.647 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.2 | 174.1 | -50.9 | -13.4 | 0 | 0 | 0 | 112.5 | K295 | N293-K295 PolarHBondContact O-N 3.45Å; N293-K295 VanDerWaalsContact O-N 3.13Å |
| 294 | D | 91.6 | Very high | 95.8 | Very high | 148 Ų | 148 | 61.3 Ų | 61.3 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.1 | 179.8 | -44.5 | -41.4 | 0 | 0 | 0 | 114.2 | M292 | M292-D294 PolarHBondContact O-N 3.47Š|
| 295 | K | 93.2 | Very high | 95.8 | Very high | 103 Ų | 103 | 64.1 Ų | 64.1 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.5 | 170.8 | -63.8 | -175.2 | -173.7 | 179.4 | 0 | 111.2 | L254 F291 M292 N293 | L254-K295 HydrophobicContact CD1-CB 4.15Å; L254-K295 HydrophobicContact CD1-CD 4.44Å; L254-K295 HydrophobicContact CD2-CD 4.36Å; F291-K295 WeakPolarHBondContact CB-O 3.4Å; F291-K295 PolarHBondContact N-O 3.34Å; M292-K295 PolarHBondContact O-N 3.27Å; M292-K295 VanDerWaalsContact O-N 3.09Å; N293-K295 PolarHBondContact O-N 3.45Å; N293-K295 VanDerWaalsContact O-N 3.13Å |
| 296 | D | 96.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 154.8 | 167.5 | -44.6 | -46.2 | 0 | 0 | 0 | 110.6 | I288 E289 C290 | I288-D296 WeakPolarHBondContact O-CA 3.28Å; E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.2Å; C290-D296 PolarHBondContact N-OD1 3.17Å |
| 297 | V | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | 171.6 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | F248 Y252 L254 N287 I288 F291 | F248-V297 HydrophobicContact CD1-CB 4.21Å; F248-V297 HydrophobicContact CD1-CG1 4.39Å; F248-V297 HydrophobicContact CD2-CB 4.24Å; F248-V297 HydrophobicContact CD2-CG1 4.16Å; F248-V297 HydrophobicContact CD2-CG2 4.12Å; F248-V297 HydrophobicContact CE1-CB 3.91Å; F248-V297 HydrophobicContact CE1-CG2 4.24Å; F248-V297 HydrophobicContact CE2-CB 3.94Å; F248-V297 HydrophobicContact CE2-CG1 4.35Å; F248-V297 HydrophobicContact CE2-CG2 3.49Å; F248-V297 VanDerWaalsContact CE2-CG2 3.49Å; F248-V297 HydrophobicContact CG-CB 4.37Å; F248-V297 HydrophobicContact CG-CG1 4.18Å; F248-V297 HydrophobicContact CZ-CB 3.77Å; F248-V297 HydrophobicContact CZ-CG2 3.56Å; Y252-V297 HydrophobicContact CD2-CB 4.07Å; Y252-V297 HydrophobicContact CD2-CG1 3.6Å; Y252-V297 HydrophobicContact CE2-CB 3.83Å; Y252-V297 HydrophobicContact CE2-CG1 3.9Å; Y252-V297 HydrophobicContact CG-CG1 4.06Å; L254-V297 HydrophobicContact CD1-CG1 3.83Å; N287-V297 CarbonylContact C-O 3.52Å; N287-V297 WeakPolarHBondContact CA-O 3.3Å; I288-V297 HydrophobicContact CB-CG2 3.8Å; I288-V297 HydrophobicContact CD1-CG2 4.38Å; I288-V297 HydrophobicContact CG1-CG2 3.98Å; I288-V297 PolarHBondContact N-O 3.02Å; I288-V297 PolarHBondContact O-N 2.9Å; F291-V297 HydrophobicContact CB-CG1 4.11Å; F291-V297 HydrophobicContact CB-CG2 3.83Å; F291-V297 HydrophobicContact CD1-CB 4.49Å; F291-V297 HydrophobicContact CD1-CG1 3.67Å; F291-V297 HydrophobicContact CD1-CG2 3.94Å; F291-V297 HydrophobicContact CD2-CG2 4.1Å; F291-V297 HydrophobicContact CE1-CG1 4.44Å; F291-V297 HydrophobicContact CG-CG1 4.1Å; F291-V297 HydrophobicContact CG-CG2 3.68Å |
| 298 | S | 97.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.1 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | K251 Y252 L286 N287 | K251-S298 PolarHBondContact NZ-O 3.28Å; Y252-S298 PolarHBondContact OH-N 3.1Å; Y252-S298 VanDerWaalsContact OH-N 3.07Å; Y252-S298 PolarHBondContact OH-O 3.04Å; L286-S298 CarbonylContact O-C 3.53Å; L286-S298 WeakPolarHBondContact O-CA 3.35Å; N287-S298 VanDerWaalsContact OD1-CB 3.29Å; N287-S298 WeakPolarHBondContact OD1-CB 3.29Å; N287-S298 PolarHBondContact OD1-OG 3.36Å |
| 299 | A | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | -174.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | F244 E247 F248 L286 | F244-A299 HydrophobicContact CD1-CB 3.85Å; F244-A299 HydrophobicContact CE1-CB 3.58Å; E247-A299 VanDerWaalsContact OE2-CB 3.24Å; E247-A299 WeakPolarHBondContact OE2-CB 3.42Å; F248-A299 HydrophobicContact CE1-CB 4.02Å; L286-A299 PolarHBondContact N-O 2.9Å; L286-A299 PolarHBondContact O-N 3.26Å |
| 300 | K | 97.5 | Very high | 96.2 | Very high | 116 Ų | 116 | 58.9 Ų | 58.9 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.3 | 175.7 | 63.2 | 174.5 | -171 | 167.3 | 0 | 111.3 | D283 L284 | D283-K300 HydrophobicContact CB-CD 4.12Å; D283-K300 WeakPolarHBondContact OD2-CE 3.47Å; D283-K300 IonicContact OD2-NZ 2.65Å; D283-K300 PolarHBondContact OD2-NZ 3.41Å; L284-K300 CarbonylContact O-C 3.2Å; L284-K300 WeakPolarHBondContact O-CA 3.31Å; L284-K300 WeakPolarHBondContact O-CB 3.42Å |
| 301 | M | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.2 | 170.2 | -167.9 | 60.1 | 58.5 | 0 | 0 | 109 | L240 F244 L273 M277 L284 Q305 F306 L309 | L240-M301 HydrophobicContact CD2-CE 4.11Å; L240-M301 HydrophobicContact CD2-CG 4.07Å; F244-M301 HydrophobicContact CE1-CE 4.2Å; F244-M301 HydrophobicContact CE2-CE 4.32Å; F244-M301 HydrophobicContact CZ-CB 4.21Å; F244-M301 HydrophobicContact CZ-CE 3.73Å; L273-M301 HydrophobicContact CD2-CB 3.74Å; L273-M301 HydrophobicContact CG-CB 4.4Å; M277-M301 HydrophobicContact CE-CG 4.08Å; M277-M301 HydrophobicContact SD-CB 3.95Å; M277-M301 HydrophobicContact SD-CG 3.48Å; M277-M301 WeakPolarHBondContact SD-CG 3.33Å; L284-M301 PolarHBondContact N-O 2.87Å; L284-M301 PolarHBondContact O-N 3.09Å; M301-Q305 HydrophobicContact SD-CB 3.49Å; M301-Q305 WeakPolarHBondContact SD-CB 3.41Å; M301-F306 HydrophobicContact CG-CB 4.04Å; M301-F306 HydrophobicContact SD-CB 4.44Å; M301-L309 HydrophobicContact CE-CD1 3.76Å; M301-L309 HydrophobicContact SD-CD1 3.9Å |
| 302 | N | 97.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | trans | -120.4 | 165.2 | 163.5 | 61.7 | 61.7 | 0 | 0 | 0 | 111 | T282 D283 S304 Q305 F306 | T282-N302 WeakPolarHBondContact O-CA 3.31Å; T282-N302 WeakPolarHBondContact O-CB 3.4Å; D283-N302 PolarHBondContact OD1-ND2 3.18Å; N302-S304 VanDerWaalsContact C-N 3.3Å; N302-S304 PolarHBondContact O-N 3.17Å; N302-S304 PolarHBondContact OD1-N 3.27Å; N302-Q305 PolarHBondContact ND2-OE1 3.31Å; N302-Q305 PolarHBondContact O-N 2.86Å; N302-Q305 WeakPolarHBondContact OD1-CG 3.38Å; N302-Q305 PolarHBondContact OD1-N 3.44Å; N302-Q305 VanDerWaalsContact OD1-N 3.09Å; N302-F306 PolarHBondContact O-N 2.89Å | ||
| 303 | R | 98 | Very high | 96.9 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 19% | 0.185 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.5 | -43.9 | -176.3 | -178.5 | -176.4 | -58.2 | 163.1 | 3 | 112.6 | M277 S279 N280 Q305 F306 E307 | M277-R303 VanDerWaalsContact O-CZ 3.31Å; M277-R303 PolarHBondContact O-NE 3.06Å; M277-R303 PolarHBondContact O-NH2 3.05Å; S279-R303 PolarHBondContact O-NH2 3.28Å; N280-R303 PolarHBondContact O-NH2 2.86Å; R303-Q305 PolarHBondContact O-N 3.02Å; R303-F306 PolarHBondContact O-N 2.96Å; R303-E307 WeakPolarHBondContact CD-OE1 3.25Å; R303-E307 VanDerWaalsContact CG-CD 3.44Å; R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE1 3.46Å; R303-E307 WeakPolarHBondContact O-CB 3.44Å; R303-E307 WeakPolarHBondContact O-CG 3.49Å; R303-E307 PolarHBondContact O-N 2.9Å |
| 304 | S | 97.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | -177.4 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | N302 E308 | N302-S304 VanDerWaalsContact C-N 3.3Å; N302-S304 PolarHBondContact O-N 3.17Å; N302-S304 PolarHBondContact OD1-N 3.27Å; S304-E308 WeakPolarHBondContact O-CB 3.41Å; S304-E308 PolarHBondContact O-N 3.24Å |
| 305 | Q | 97.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.4 | -70.5 | 173 | -30.8 | 0 | 0 | 111.8 | M301 N302 R303 E308 L309 | M301-Q305 HydrophobicContact SD-CB 3.49Å; M301-Q305 WeakPolarHBondContact SD-CB 3.41Å; N302-Q305 PolarHBondContact ND2-OE1 3.31Å; N302-Q305 PolarHBondContact O-N 2.86Å; N302-Q305 WeakPolarHBondContact OD1-CG 3.38Å; N302-Q305 PolarHBondContact OD1-N 3.44Å; N302-Q305 VanDerWaalsContact OD1-N 3.09Å; R303-Q305 PolarHBondContact O-N 3.02Å; Q305-E308 PolarHBondContact O-N 3.32Å; Q305-L309 WeakPolarHBondContact O-CB 3.48Å; Q305-L309 WeakPolarHBondContact O-CD1 3.46Å; Q305-L309 VanDerWaalsContact O-CG 3.23Å; Q305-L309 WeakPolarHBondContact O-CG 3.33Å; Q305-L309 PolarHBondContact O-N 3.07Å |
| 306 | F | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.2 | 164.9 | -112.6 | 0 | 0 | 0 | 112.9 | F236 L240 K274 M277 M301 N302 R303 L309 C310 I347 | F236-F306 HydrophobicContact CB-CE2 4.06Å; F236-F306 HydrophobicContact CB-CZ 3.94Å; F236-F306 HydrophobicContact CD1-CE2 4.14Å; F236-F306 AromaticContact CD1-CZ 3.67Å; F236-F306 HydrophobicContact CD1-CZ 3.67Å; F236-F306 HydrophobicContact CG-CZ 4.25Å; L240-F306 HydrophobicContact CD1-CD2 3.91Å; L240-F306 HydrophobicContact CD1-CE2 3.87Å; L240-F306 HydrophobicContact CD2-CD2 3.76Å; L240-F306 HydrophobicContact CD2-CE2 4.46Å; L240-F306 HydrophobicContact CG-CD2 3.8Å; L240-F306 HydrophobicContact CG-CE2 4.01Å; K274-F306 HydrophobicContact CD-CZ 4.25Å; K274-F306 HydrophobicContact CG-CE1 4.37Å; K274-F306 HydrophobicContact CG-CE2 4.34Å; K274-F306 HydrophobicContact CG-CZ 3.75Å; M277-F306 HydrophobicContact CE-CB 3.58Å; M277-F306 HydrophobicContact CE-CD1 3.75Å; M277-F306 HydrophobicContact CE-CD2 3.73Å; M277-F306 HydrophobicContact CE-CE1 4.35Å; M277-F306 HydrophobicContact CE-CE2 4.33Å; M277-F306 HydrophobicContact CE-CG 3.39Å; M277-F306 HydrophobicContact SD-CB 3.58Å; M277-F306 VanDerWaalsContact SD-CB 3.58Å; M277-F306 HydrophobicContact SD-CD1 4.3Å; M277-F306 HydrophobicContact SD-CG 4.01Å; M301-F306 HydrophobicContact CG-CB 4.04Å; M301-F306 HydrophobicContact SD-CB 4.44Å; N302-F306 PolarHBondContact O-N 2.89Å; R303-F306 PolarHBondContact O-N 2.96Å; F306-L309 PolarHBondContact O-N 3.34Å; F306-C310 WeakPolarHBondContact CE2-SG 3.08Å; F306-C310 WeakPolarHBondContact O-CB 3.34Å; F306-C310 PolarHBondContact O-N 2.9Å; F306-C310 PolarHBondContact O-SG 3.11Å; F306-I347 HydrophobicContact CE1-CG2 4.21Å; F306-I347 HydrophobicContact CZ-CD1 4.39Å |
| 307 | E | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.5 | -33.3 | 177.2 | -72.1 | 172.1 | 166.1 | 0 | 0 | 111.7 | R303 C310 A311 L314 A349 | R303-E307 WeakPolarHBondContact CD-OE1 3.25Å; R303-E307 VanDerWaalsContact CG-CD 3.44Å; R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE1 3.46Å; R303-E307 WeakPolarHBondContact O-CB 3.44Å; R303-E307 WeakPolarHBondContact O-CG 3.49Å; R303-E307 PolarHBondContact O-N 2.9Å; E307-C310 CarbonylContact O-C 3.56Å; E307-C310 PolarHBondContact O-N 3.27Å; E307-A311 PolarHBondContact O-N 2.7Å; E307-A311 VanDerWaalsContact O-N 3.14Å; E307-L314 HydrophobicContact CB-CD1 4.43Å; E307-A349 HydrophobicContact CG-CB 3.86Å; E307-A349 WeakPolarHBondContact OE1-CB 3.4Å; E307-A349 PolarHBondContact OE1-N 2.98Å |
| 308 | E | 98 | Very high | 97.6 | Very high | 151 Ų | 151 | 54 Ų | 54 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65 | -49 | 168.8 | -175.2 | 174.3 | -157.7 | 0 | 0 | 111.8 | S304 Q305 C310 A311 | S304-E308 WeakPolarHBondContact O-CB 3.41Å; S304-E308 PolarHBondContact O-N 3.24Å; Q305-E308 PolarHBondContact O-N 3.32Å; E308-C310 PolarHBondContact O-N 3.23Å; E308-C310 VanDerWaalsContact O-N 3.16Å; E308-A311 VanDerWaalsContact O-CB 3.32Å; E308-A311 WeakPolarHBondContact O-CB 3.47Å; E308-A311 PolarHBondContact O-N 3.21Å; E308-A311 VanDerWaalsContact O-N 3.12Å |
| 309 | L | 98 | Very high | 97.6 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.8 | -27.8 | 174.8 | -75.9 | 165.2 | 0 | 0 | 0 | 113.2 | H243 M301 Q305 F306 | H243-L309 HydrophobicContact CB-CD1 4.33Å; M301-L309 HydrophobicContact CE-CD1 3.76Å; M301-L309 HydrophobicContact SD-CD1 3.9Å; Q305-L309 WeakPolarHBondContact O-CB 3.48Å; Q305-L309 WeakPolarHBondContact O-CD1 3.46Å; Q305-L309 VanDerWaalsContact O-CG 3.23Å; Q305-L309 WeakPolarHBondContact O-CG 3.33Å; Q305-L309 PolarHBondContact O-N 3.07Å; F306-L309 PolarHBondContact O-N 3.34Å |
| 310 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.2 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | F236 F306 E307 E308 E312 L313 L314 | F236-C310 HydrophobicContact CD1-CB 3.7Å; F236-C310 VanDerWaalsContact CD1-SG 3.56Å; F236-C310 HydrophobicContact CE1-CB 3.69Å; F306-C310 WeakPolarHBondContact CE2-SG 3.08Å; F306-C310 WeakPolarHBondContact O-CB 3.34Å; F306-C310 PolarHBondContact O-N 2.9Å; F306-C310 PolarHBondContact O-SG 3.11Å; E307-C310 CarbonylContact O-C 3.56Å; E307-C310 PolarHBondContact O-N 3.27Å; E308-C310 PolarHBondContact O-N 3.23Å; E308-C310 VanDerWaalsContact O-N 3.16Å; C310-E312 VanDerWaalsContact C-N 3.26Å; C310-E312 PolarHBondContact O-N 3.2Å; C310-E312 VanDerWaalsContact O-N 3.15Å; C310-L313 HydrophobicContact CB-CD1 4.46Å; C310-L313 WeakPolarHBondContact O-CA 3.37Å; C310-L313 WeakPolarHBondContact O-CB 3.28Å; C310-L313 PolarHBondContact O-N 2.74Å; C310-L314 PolarHBondContact O-N 3.39Å |
| 311 | A | 97.6 | Very high | 97.7 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.6 | -38 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E307 E308 L313 L314 Q315 | E307-A311 PolarHBondContact O-N 2.7Å; E307-A311 VanDerWaalsContact O-N 3.14Å; E308-A311 VanDerWaalsContact O-CB 3.32Å; E308-A311 WeakPolarHBondContact O-CB 3.47Å; E308-A311 PolarHBondContact O-N 3.21Å; E308-A311 VanDerWaalsContact O-N 3.12Å; A311-L313 PolarHBondContact O-N 3.11Å; A311-L314 PolarHBondContact O-N 3.19Å; A311-Q315 WeakPolarHBondContact O-CG 3.2Å; A311-Q315 PolarHBondContact O-N 2.83Å; A311-Q315 VanDerWaalsContact O-N 3.13Å |
| 312 | E | 97.2 | Very high | 97.7 | Very high | 117 Ų | 117 | 56 Ų | 56 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 174.8 | -59.2 | 177.4 | 138 | 0 | 0 | 113 | K239 C310 | K239-E312 IonicContact NZ-OE2 3.75Å; K239-E312 PolarHBondContact NZ-OE2 3.4Å; C310-E312 VanDerWaalsContact C-N 3.26Å; C310-E312 PolarHBondContact O-N 3.2Å; C310-E312 VanDerWaalsContact O-N 3.15Å |
| 313 | L | 97.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.3 | -39.4 | 179 | -58.9 | -179.9 | 0 | 0 | 0 | 110.6 | L231 N235 F236 K239 C310 A311 Q315 K316 | L231-L313 HydrophobicContact CD1-CB 3.95Å; L231-L313 HydrophobicContact CD1-CD2 4.01Å; N235-L313 HydrophobicContact CB-CD1 3.9Å; N235-L313 HydrophobicContact CB-CD2 4.25Å; N235-L313 WeakPolarHBondContact O-CD1 3.45Å; F236-L313 HydrophobicContact CD1-CD1 4.36Å; F236-L313 HydrophobicContact CD2-CD1 4.15Å; F236-L313 HydrophobicContact CE1-CB 4.27Å; F236-L313 HydrophobicContact CE1-CD1 4.46Å; F236-L313 HydrophobicContact CE2-CB 4.22Å; F236-L313 HydrophobicContact CE2-CD1 4.23Å; F236-L313 HydrophobicContact CG-CD1 4.21Å; F236-L313 HydrophobicContact CZ-CB 3.87Å; F236-L313 HydrophobicContact CZ-CD1 4.4Å; K239-L313 HydrophobicContact CG-CD1 3.89Å; C310-L313 HydrophobicContact CB-CD1 4.46Å; C310-L313 WeakPolarHBondContact O-CA 3.37Å; C310-L313 WeakPolarHBondContact O-CB 3.28Å; C310-L313 PolarHBondContact O-N 2.74Å; A311-L313 PolarHBondContact O-N 3.11Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.66Å; L313-K316 PolarHBondContact O-N 3.18Å |
| 314 | L | 97.7 | Very high | 97.6 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -30.1 | 177.4 | -67.4 | 171 | 0 | 0 | 0 | 112.7 | F236 E307 C310 A311 I317 A349 V350 | F236-L314 HydrophobicContact CE1-CD2 4.07Å; F236-L314 HydrophobicContact CE1-CG 4.36Å; F236-L314 HydrophobicContact CZ-CD2 4.21Å; E307-L314 HydrophobicContact CB-CD1 4.43Å; C310-L314 PolarHBondContact O-N 3.39Å; A311-L314 PolarHBondContact O-N 3.19Å; L314-I317 HydrophobicContact CD2-CD1 3.93Å; L314-A349 HydrophobicContact CD1-CB 3.79Å; L314-A349 HydrophobicContact CD2-CB 3.78Å; L314-A349 HydrophobicContact CG-CB 4.46Å; L314-V350 HydrophobicContact CD2-CG2 4.02Å |
| 315 | Q | 96.3 | Very high | 97.6 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 58% | 0.579 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.8 | -35.6 | 174.2 | -72.8 | 169.4 | 28.3 | 0 | 0 | 112.7 | A311 L313 I317 E318 | A311-Q315 WeakPolarHBondContact O-CG 3.2Å; A311-Q315 PolarHBondContact O-N 2.83Å; A311-Q315 VanDerWaalsContact O-N 3.13Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 2.66Å; Q315-I317 PolarHBondContact O-N 3.45Å; Q315-E318 PolarHBondContact O-N 2.56Å |
| 316 | K | 97.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -24.3 | -179 | -69.2 | 179.5 | 179 | -173 | 0 | 113.9 | L231 L313 E318 V319 P320 | L231-K316 HydrophobicContact CD1-CB 4.45Å; L231-K316 HydrophobicContact CD1-CD 4.47Å; L231-K316 HydrophobicContact CD2-CB 3.71Å; L313-K316 PolarHBondContact O-N 3.18Å; K316-E318 PolarHBondContact O-N 2.7Å; K316-V319 PolarHBondContact O-N 3.19Å; K316-P320 WeakPolarHBondContact O-CD 3.32Å |
| 317 | I | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36 | 177.1 | -60.7 | 173.9 | 0 | 0 | 0 | 111.4 | F208 L231 L314 Q315 V319 L321 V350 R353 I354 | F208-I317 HydrophobicContact CE1-CG2 4.08Å; F208-I317 WeakPolarHBondContact CE1-O 3.41Å; F208-I317 HydrophobicContact CE2-CG2 4.26Å; F208-I317 HydrophobicContact CZ-CG2 3.67Å; L231-I317 HydrophobicContact CD2-CG1 4.19Å; L314-I317 HydrophobicContact CD2-CD1 3.93Å; Q315-I317 PolarHBondContact O-N 3.45Å; I317-V319 VanDerWaalsContact C-N 3.28Å; I317-V319 PolarHBondContact O-N 2.62Å; I317-L321 HydrophobicContact CG2-CD1 4.16Å; I317-L321 WeakPolarHBondContact O-CD1 3.48Å; I317-L321 WeakPolarHBondContact O-CG 3.49Å; I317-V350 HydrophobicContact CD1-CB 4.3Å; I317-V350 HydrophobicContact CD1-CG1 4.18Å; I317-V350 HydrophobicContact CD1-CG2 3.97Å; I317-R353 HydrophobicContact CD1-CB 4.3Å; I317-R353 HydrophobicContact CD1-CG 4.4Å; I317-R353 HydrophobicContact CG2-CB 4.19Å; I317-I354 HydrophobicContact CG2-CG1 4.09Å |
| 318 | E | 96.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.5 | -19.7 | -176.9 | -62.2 | 174.8 | -149.4 | 0 | 0 | 112.1 | Q315 K316 H322 R353 | Q315-E318 PolarHBondContact O-N 2.56Å; K316-E318 PolarHBondContact O-N 2.7Å; E318-H322 PolarHBondContact O-CD2 3.49Å; E318-H322 PolarHBondContact O-N 3.5Å; E318-R353 WeakPolarHBondContact OE1-CD 3.45Å; E318-R353 IonicContact OE1-CZ 3.7Å; E318-R353 IonicContact OE1-NE 2.7Å; E318-R353 IonicContact OE1-NH1 2.63Å; E318-R353 PolarHBondContact OE1-NH1 2.94Å |
| 319 | V | 97 | Very high | 97.1 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 61% | 0.606 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.6 | -52.8 | -175.5 | 174.2 | 0 | 0 | 0 | 0 | 113.2 | K316 I317 L321 H322 S323 | K316-V319 PolarHBondContact O-N 3.19Å; I317-V319 VanDerWaalsContact C-N 3.28Å; I317-V319 PolarHBondContact O-N 2.62Å; V319-L321 PolarHBondContact O-N 3.45Å; V319-H322 PolarHBondContact O-N 2.74Å; V319-S323 PolarHBondContact O-N 2.82Å |
| 320 | P | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -29.2 | 173.8 | -27.7 | 40.2 | 0 | 0 | 0 | 113.2 | F208 V210 A226 F227 D228 K316 S323 L324 | F208-P320 HydrophobicContact CD1-CB 4.21Å; F208-P320 HydrophobicContact CD1-CG 3.93Å; F208-P320 HydrophobicContact CE1-CB 4.11Å; F208-P320 HydrophobicContact CE1-CG 4.16Å; V210-P320 HydrophobicContact CG2-CB 3.93Å; V210-P320 WeakPolarHBondContact CG2-O 3.17Å; A226-P320 HydrophobicContact CB-CB 4.23Å; A226-P320 WeakPolarHBondContact CB-O 3.28Å; F227-P320 VanDerWaalsContact C-CG 3.5Å; D228-P320 HydrophobicContact CB-CG 3.91Å; K316-P320 WeakPolarHBondContact O-CD 3.32Å; P320-S323 PolarHBondContact O-N 3.18Å; P320-L324 WeakPolarHBondContact O-CB 3.43Å; P320-L324 PolarHBondContact O-N 3.05Å |
| 321 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 174.7 | -69.3 | 173.7 | 0 | 0 | 0 | 111.3 | F208 V210 I317 V319 L324 M325 I354 F357 F358 | F208-L321 HydrophobicContact CZ-CG 4.46Å; V210-L321 HydrophobicContact CB-CD2 4.43Å; V210-L321 HydrophobicContact CG1-CD2 3.84Å; I317-L321 HydrophobicContact CG2-CD1 4.16Å; I317-L321 WeakPolarHBondContact O-CD1 3.48Å; I317-L321 WeakPolarHBondContact O-CG 3.49Å; V319-L321 PolarHBondContact O-N 3.45Å; L321-L324 PolarHBondContact O-N 2.91Å; L321-M325 WeakPolarHBondContact O-CG 3.42Å; L321-M325 PolarHBondContact O-N 3.39Å; L321-I354 HydrophobicContact CD1-CG1 4.47Å; L321-F357 VanDerWaalsContact C-CZ 3.45Å; L321-F357 HydrophobicContact CB-CD1 3.91Å; L321-F357 HydrophobicContact CB-CD2 3.9Å; L321-F357 HydrophobicContact CB-CE1 3.75Å; L321-F357 HydrophobicContact CB-CE2 3.71Å; L321-F357 HydrophobicContact CB-CG 4Å; L321-F357 HydrophobicContact CB-CZ 3.65Å; L321-F357 HydrophobicContact CD1-CB 4Å; L321-F357 HydrophobicContact CD1-CD1 4.12Å; L321-F357 HydrophobicContact CD1-CD2 4.3Å; L321-F357 HydrophobicContact CD1-CG 3.88Å; L321-F357 HydrophobicContact CD2-CD1 4.49Å; L321-F357 HydrophobicContact CG-CD1 4.41Å; L321-F358 HydrophobicContact CD2-CE2 3.69Å; L321-F358 HydrophobicContact CD2-CZ 3.83Å |
| 322 | H | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -49.1 | 172.3 | -84 | -66.1 | 0 | 0 | 0 | 112.1 | E318 V319 L324 M325 E326 F357 | E318-H322 PolarHBondContact O-CD2 3.49Å; E318-H322 PolarHBondContact O-N 3.5Å; V319-H322 PolarHBondContact O-N 2.74Å; H322-L324 VanDerWaalsContact C-N 3.3Å; H322-L324 PolarHBondContact O-N 3.07Å; H322-M325 PolarHBondContact O-N 3.26Å; H322-E326 PolarHBondContact O-N 2.97Å; H322-F357 AromaticContact CD2-CE2 3.8Å; H322-F357 AromaticContact CE1-CE2 3.76Å; H322-F357 AromaticContact CG-CE2 3.8Å; H322-F357 AromaticContact ND1-CE2 3.78Å; H322-F357 AromaticContact NE2-CE2 3.78Å |
| 323 | S | 96.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | V319 P320 Q327 | V319-S323 PolarHBondContact O-N 2.82Å; P320-S323 PolarHBondContact O-N 3.18Å; S323-Q327 VanDerWaalsContact O-CG 3.29Å; S323-Q327 WeakPolarHBondContact O-CG 3.2Å; S323-Q327 PolarHBondContact O-N 3.26Å |
| 324 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.8 | 179.7 | 61.8 | 0 | 0 | 0 | 112.3 | V199 V210 A212 G224 A226 P320 L321 H322 T328 | V199-L324 HydrophobicContact CG1-CD2 3.96Å; V199-L324 HydrophobicContact CG2-CD2 4.49Å; V210-L324 HydrophobicContact CB-CD2 3.93Å; V210-L324 HydrophobicContact CG2-CB 3.93Å; V210-L324 HydrophobicContact CG2-CD2 3.83Å; V210-L324 HydrophobicContact CG2-CG 4.42Å; A212-L324 HydrophobicContact CB-CD1 3.99Å; A212-L324 HydrophobicContact CB-CD2 4.22Å; A212-L324 HydrophobicContact CB-CG 4.28Å; G224-L324 VanDerWaalsContact O-CD1 3.26Å; G224-L324 WeakPolarHBondContact O-CD1 3.49Å; A226-L324 HydrophobicContact CB-CB 4.15Å; P320-L324 WeakPolarHBondContact O-CB 3.43Å; P320-L324 PolarHBondContact O-N 3.05Å; L321-L324 PolarHBondContact O-N 2.91Å; H322-L324 VanDerWaalsContact C-N 3.3Å; H322-L324 PolarHBondContact O-N 3.07Å; L324-T328 HydrophobicContact CD1-CG2 4.03Å; L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 WeakPolarHBondContact O-CG2 3.36Å; L324-T328 PolarHBondContact O-N 2.7Å; L324-T328 PolarHBondContact O-OG1 3.31Å |
| 325 | M | 97.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | -178.9 | -57.6 | -51.4 | -72.8 | 0 | 0 | 111.2 | L321 H322 T328 H329 L330 K331 V335 F357 F358 | L321-M325 WeakPolarHBondContact O-CG 3.42Å; L321-M325 PolarHBondContact O-N 3.39Å; H322-M325 PolarHBondContact O-N 3.26Å; M325-T328 PolarHBondContact O-OG1 3.01Å; M325-H329 PolarHBondContact O-N 3.46Å; M325-L330 HydrophobicContact CE-CB 3.71Å; M325-L330 PolarHBondContact O-N 3.23Å; M325-K331 VanDerWaalsContact CE-O 3.3Å; M325-K331 WeakPolarHBondContact CE-O 3.5Å; M325-V335 HydrophobicContact CE-CG2 3.9Å; M325-V335 HydrophobicContact SD-CG2 4.48Å; M325-F357 HydrophobicContact CG-CE1 3.89Å; M325-F357 HydrophobicContact CG-CZ 3.91Å; M325-F358 HydrophobicContact CE-CE1 4.45Å; M325-F358 HydrophobicContact SD-CE1 3.88Å |
| 326 | E | 96.2 | Very high | 96.6 | Very high | 148 Ų | 148 | 60.9 Ų | 60.9 | 69% | 0.692 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60 | -54.5 | 176.4 | -177.4 | 174.2 | -150.9 | 0 | 0 | 112 | H322 T328 H329 | H322-E326 PolarHBondContact O-N 2.97Å; E326-T328 VanDerWaalsContact C-N 3.26Å; E326-T328 PolarHBondContact O-N 3.24Å; E326-H329 PolarHBondContact O-CE1 3.26Å; E326-H329 PolarHBondContact O-N 2.9Å; E326-H329 PolarHBondContact O-ND1 2.87Å |
| 327 | Q | 94.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.3 | -15.5 | -174.9 | 77.1 | 177.6 | -37.8 | 0 | 0 | 114.7 | T225 S323 N423 | T225-Q327 VanDerWaalsContact C-NE2 3.26Å; T225-Q327 PolarHBondContact O-NE2 2.7Å; S323-Q327 VanDerWaalsContact O-CG 3.29Å; S323-Q327 WeakPolarHBondContact O-CG 3.2Å; S323-Q327 PolarHBondContact O-N 3.26Å; Q327-N423 PolarHBondContact OE1-ND2 2.97Å |
| 328 | T | 96.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -100.6 | -8.4 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | A212 L223 L324 M325 E326 L330 | A212-T328 HydrophobicContact CB-CG2 4.3Å; L223-T328 HydrophobicContact CB-CG2 4.12Å; L324-T328 HydrophobicContact CD1-CG2 4.03Å; L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 WeakPolarHBondContact O-CG2 3.36Å; L324-T328 PolarHBondContact O-N 2.7Å; L324-T328 PolarHBondContact O-OG1 3.31Å; M325-T328 PolarHBondContact O-OG1 3.01Å; E326-T328 VanDerWaalsContact C-N 3.26Å; E326-T328 PolarHBondContact O-N 3.24Å; T328-L330 PolarHBondContact O-N 3.44Å; T328-L330 VanDerWaalsContact O-N 3.14Å; T328-L330 WeakPolarHBondContact OG1-CD1 3.32Å; T328-L330 WeakPolarHBondContact OG1-CG 3.35Å |
| 329 | H | 95.9 | Very high | 96.7 | Very high | 172 Ų | 172 | 54.7 Ų | 54.7 | 80% | 0.796 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 24.1 | -172.7 | -49.5 | -33.3 | 0 | 0 | 0 | 113.6 | M325 E326 | M325-H329 PolarHBondContact O-N 3.46Å; E326-H329 PolarHBondContact O-CE1 3.26Å; E326-H329 PolarHBondContact O-N 2.9Å; E326-H329 PolarHBondContact O-ND1 2.87Å |
| 330 | L | 96 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | trans | -81 | 154.1 | 175 | -69.5 | 173.3 | 0 | 0 | 0 | 110.6 | V197 A212 L223 M325 T328 D334 | V197-L330 HydrophobicContact CG1-CD1 3.85Å; A212-L330 HydrophobicContact CB-CD1 3.91Å; L223-L330 HydrophobicContact CD1-CD1 4.06Å; M325-L330 HydrophobicContact CE-CB 3.71Å; M325-L330 PolarHBondContact O-N 3.23Å; T328-L330 PolarHBondContact O-N 3.44Å; T328-L330 VanDerWaalsContact O-N 3.14Å; T328-L330 WeakPolarHBondContact OG1-CD1 3.32Å; T328-L330 WeakPolarHBondContact OG1-CG 3.35Å; L330-D334 HydrophobicContact CD2-CB 4.15Å | ||
| 331 | K | 95.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 49.9 Ų | 49.9 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | trans | -104.1 | 162.1 | 164.9 | -60 | 173.2 | -176.8 | 180 | 0 | 110.6 | M325 E333 D334 | M325-K331 VanDerWaalsContact CE-O 3.3Å; M325-K331 WeakPolarHBondContact CE-O 3.5Å; K331-E333 HydrophobicContact CB-CG 3.65Å; K331-E333 HydrophobicContact CD-CG 3.72Å; K331-E333 WeakPolarHBondContact CD-OE1 3.45Å; K331-E333 WeakPolarHBondContact CE-OE1 3.41Å; K331-E333 HydrophobicContact CG-CG 4.42Å; K331-E333 IonicContact NZ-OE1 3.78Å; K331-E333 PolarHBondContact NZ-OE1 3Å; K331-E333 PolarHBondContact O-N 3.43Å; K331-D334 PolarHBondContact O-N 3.32Å | ||
| 332 | T | 94.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.9 | 172.8 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | F358 K360 | T332-F358 HydrophobicContact CG2-CD1 4.11Å; T332-K360 PolarHBondContact O-NZ 3.39Å |
| 333 | E | 95.1 | Very high | 96.6 | Very high | 130 Ų | 130 | 46.5 Ų | 46.5 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -40.2 | 173.9 | 57.8 | -171.8 | -157.5 | 0 | 0 | 113.3 | K331 V335 K360 | K331-E333 HydrophobicContact CB-CG 3.65Å; K331-E333 HydrophobicContact CD-CG 3.72Å; K331-E333 WeakPolarHBondContact CD-OE1 3.45Å; K331-E333 WeakPolarHBondContact CE-OE1 3.41Å; K331-E333 HydrophobicContact CG-CG 4.42Å; K331-E333 IonicContact NZ-OE1 3.78Å; K331-E333 PolarHBondContact NZ-OE1 3Å; K331-E333 PolarHBondContact O-N 3.43Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.08Å; E333-K360 PolarHBondContact O-NZ 2.91Å; E333-K360 VanDerWaalsContact O-NZ 3.13Å |
| 334 | D | 96 | Very high | 96.7 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.5 | 179.8 | -74.8 | -75.2 | 0 | 0 | 0 | 114.2 | K194 L330 K331 S336 | K194-D334 IonicContact NZ-OD1 2.7Å; K194-D334 PolarHBondContact NZ-OD1 3.07Å; L330-D334 HydrophobicContact CD2-CB 4.15Å; K331-D334 PolarHBondContact O-N 3.32Å; D334-S336 PolarHBondContact O-N 3.11Å; D334-S336 VanDerWaalsContact O-N 3.16Å |
| 335 | V | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 112.3 | -178.3 | 179 | 0 | 0 | 0 | 0 | 109.9 | V199 M325 E333 A337 I338 F358 K360 | V199-V335 HydrophobicContact CB-CG1 4.21Å; V199-V335 HydrophobicContact CG2-CB 4.48Å; V199-V335 HydrophobicContact CG2-CG1 3.74Å; V199-V335 HydrophobicContact CG2-CG2 3.84Å; M325-V335 HydrophobicContact CE-CG2 3.9Å; M325-V335 HydrophobicContact SD-CG2 4.48Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.08Å; V335-A337 WeakPolarHBondContact CG1-O 3.43Å; V335-I338 HydrophobicContact CG1-CG1 3.96Å; V335-F358 HydrophobicContact CG2-CD1 4.37Å; V335-F358 HydrophobicContact CG2-CE1 4.16Å; V335-K360 PolarHBondContact O-NZ 2.98Å |
| 336 | S | 97 | Very high | 96.7 | Very high | 72 Ų | 72 | 49 Ų | 49 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -31.5 | -175.2 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | V197 D334 | V197-S336 PolarHBondContact N-OG 3.05Å; V197-S336 WeakPolarHBondContact O-CA 3.22Å; V197-S336 VanDerWaalsContact O-CB 3.23Å; V197-S336 WeakPolarHBondContact O-CB 3.46Å; V197-S336 PolarHBondContact O-N 2.87Å; V197-S336 PolarHBondContact O-OG 3.16Å; D334-S336 PolarHBondContact O-N 3.11Å; D334-S336 VanDerWaalsContact O-N 3.16Å |
| 337 | A | 97.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 157.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V198 V199 V335 | V198-A337 WeakPolarHBondContact CA-O 3.45Å; V198-A337 HydrophobicContact CG1-CB 4.31Å; V198-A337 HydrophobicContact CG2-CB 4.43Å; V199-A337 PolarHBondContact N-O 3.35Å; V335-A337 WeakPolarHBondContact CG1-O 3.43Å |
| 338 | I | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113 | 172.7 | -53.6 | 118.7 | 0 | 0 | 0 | 107.8 | V199 V201 V335 I354 F358 K360 V362 S363 | V199-I338 CarbonylContact O-C 3.54Å; V199-I338 VanDerWaalsContact O-CA 3.28Å; V199-I338 WeakPolarHBondContact O-CA 3.49Å; V201-I338 HydrophobicContact CG2-CG2 3.97Å; V335-I338 HydrophobicContact CG1-CG1 3.96Å; I338-I354 HydrophobicContact CG2-CG2 3.92Å; I338-F358 HydrophobicContact CD1-CB 3.52Å; I338-F358 HydrophobicContact CD1-CD1 4.43Å; I338-F358 HydrophobicContact CD1-CD2 3.71Å; I338-F358 HydrophobicContact CD1-CG 3.63Å; I338-F358 HydrophobicContact CG1-CB 4.31Å; I338-F358 HydrophobicContact CG1-CD1 4.39Å; I338-F358 HydrophobicContact CG1-CD2 3.63Å; I338-F358 HydrophobicContact CG1-CE2 4.01Å; I338-F358 HydrophobicContact CG1-CG 3.85Å; I338-F358 HydrophobicContact CG2-CD2 4.26Å; I338-F358 HydrophobicContact CG2-CE2 4.15Å; I338-K360 HydrophobicContact CD1-CB 3.76Å; I338-V362 HydrophobicContact CB-CG1 4.5Å; I338-V362 HydrophobicContact CG2-CG1 4.18Å; I338-S363 WeakPolarHBondContact O-CA 3.4Å; I338-S363 WeakPolarHBondContact O-CB 3.14Å; I338-S363 PolarHBondContact O-N 3.27Å |
| 339 | E | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.7 | 178.1 | -70.9 | -78.6 | 178.5 | 0 | 0 | 110 | Y181 V198 V199 F200 V201 S363 T365 | Y181-E339 HydrophobicContact CD2-CG 3.92Å; Y181-E339 HydrophobicContact CE2-CG 3.69Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.41Å; V198-E339 HydrophobicContact CG1-CG 4.22Å; V199-E339 PolarHBondContact O-N 3.15Å; F200-E339 WeakPolarHBondContact CA-O 3.36Å; F200-E339 HydrophobicContact CD1-CB 3.7Å; F200-E339 HydrophobicContact CD1-CG 4.47Å; F200-E339 HydrophobicContact CE1-CB 3.84Å; F200-E339 HydrophobicContact CE1-CG 4.11Å; V201-E339 PolarHBondContact N-O 2.81Å; E339-S363 WeakPolarHBondContact CA-O 3.34Å; E339-S363 VanDerWaalsContact CD-CB 3.4Å; E339-S363 WeakPolarHBondContact OE1-CB 3.41Å; E339-T365 WeakPolarHBondContact OE1-CB 3.46Å; E339-T365 WeakPolarHBondContact OE1-CG2 3.43Å; E339-T365 PolarHBondContact OE1-OG1 3.17Å; E339-T365 PolarHBondContact OE2-N 2.79Å |
| 340 | I | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.9 | -179.5 | 59.8 | 164.6 | 0 | 0 | 0 | 112.2 | V201 T345 K351 I354 V362 S363 T364 | V201-I340 HydrophobicContact CB-CG2 4.19Å; V201-I340 CarbonylContact O-C 3.54Å; V201-I340 WeakPolarHBondContact O-CA 3.37Å; I340-T345 HydrophobicContact CB-CG2 4.34Å; I340-K351 HydrophobicContact CD1-CD 3.83Å; I340-K351 HydrophobicContact CD1-CG 3.87Å; I340-I354 HydrophobicContact CG2-CD1 4.24Å; I340-V362 HydrophobicContact CD1-CB 4.31Å; I340-V362 HydrophobicContact CD1-CG2 3.96Å; I340-V362 HydrophobicContact CG1-CB 4.35Å; I340-V362 HydrophobicContact CG2-CB 3.93Å; I340-V362 HydrophobicContact CG2-CG1 3.86Å; I340-S363 PolarHBondContact N-O 2.68Å; I340-T364 HydrophobicContact CD1-CG2 3.92Å; I340-T364 HydrophobicContact CG1-CG2 3.72Å |
| 341 | V | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 177.2 | 176.8 | -60 | 0 | 0 | 0 | 0 | 110.7 | V177 V201 D202 M203 T345 L366 A371 | V177-V341 HydrophobicContact CG1-CG1 3.9Å; V177-V341 HydrophobicContact CG1-CG2 4.2Å; V177-V341 HydrophobicContact CG2-CG2 4.05Å; V201-V341 PolarHBondContact O-N 3.12Å; D202-V341 WeakPolarHBondContact CA-O 3.49Å; D202-V341 HydrophobicContact CB-CG2 3.84Å; M203-V341 PolarHBondContact N-O 2.85Å; V341-T345 WeakPolarHBondContact O-CG2 3.44Å; V341-T345 PolarHBondContact O-OG1 3.4Å; V341-T345 VanDerWaalsContact O-OG1 3.07Å; V341-L366 HydrophobicContact CG1-CB 4.35Å; V341-L366 HydrophobicContact CG1-CD1 4.29Å; V341-A371 HydrophobicContact CG1-CB 4.18Å |
| 342 | G | 96.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 80.2 | 140 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D202 M203 A344 T345 A368 | D202-G342 WeakPolarHBondContact OD1-CA 3.48Å; M203-G342 CarbonylContact O-C 3.51Å; M203-G342 WeakPolarHBondContact O-CA 3.42Å; G342-A344 VanDerWaalsContact C-N 3.29Å; G342-A344 PolarHBondContact O-N 3.42Å; G342-A344 VanDerWaalsContact O-N 3.12Å; G342-T345 PolarHBondContact O-N 2.82Å; G342-T345 VanDerWaalsContact O-N 3.17Å; G342-T345 PolarHBondContact O-OG1 3.35Å; G342-A368 PolarHBondContact N-O 2.81Å |
| 343 | G | 95.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 39% | 0.392 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -59.7 | -29 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | M203 R346 | M203-G343 PolarHBondContact O-N 2.76Å; G343-R346 WeakPolarHBondContact O-CB 3.44Å |
| 344 | A | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -82.6 | -16.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M203 G342 R346 I347 | M203-A344 HydrophobicContact CB-CB 4.05Å; M203-A344 HydrophobicContact CG-CB 3.79Å; M203-A344 WeakPolarHBondContact O-CB 3.37Å; M203-A344 PolarHBondContact O-N 3.24Å; M203-A344 HydrophobicContact SD-CB 3.87Å; G342-A344 VanDerWaalsContact C-N 3.29Å; G342-A344 PolarHBondContact O-N 3.42Å; G342-A344 VanDerWaalsContact O-N 3.12Å; A344-R346 PolarHBondContact O-N 3.15Å; A344-I347 WeakPolarHBondContact O-CG1 3.29Å; A344-I347 PolarHBondContact O-N 3.49Å; A344-I347 VanDerWaalsContact O-N 3.14Å |
| 345 | T | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -66.5 | -5.4 | 170.2 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | M203 I340 V341 G342 I347 K351 | M203-T345 HydrophobicContact CB-CG2 3.54Å; I340-T345 HydrophobicContact CB-CG2 4.34Å; V341-T345 WeakPolarHBondContact O-CG2 3.44Å; V341-T345 PolarHBondContact O-OG1 3.4Å; V341-T345 VanDerWaalsContact O-OG1 3.07Å; G342-T345 PolarHBondContact O-N 2.82Å; G342-T345 VanDerWaalsContact O-N 3.17Å; G342-T345 PolarHBondContact O-OG1 3.35Å; T345-I347 VanDerWaalsContact C-N 3.29Å; T345-K351 WeakPolarHBondContact O-CE 3.48Å; T345-K351 WeakPolarHBondContact O-CG 3.32Å |
| 346 | R | 97.4 | Very high | 97.6 | Very high | 108 Ų | 108 | 35.5 Ų | 35.5 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -71.8 | -18.9 | 170.9 | -66.8 | -176 | 167.7 | 102.7 | -4.9 | 113.7 | G343 A344 D369 | G343-R346 WeakPolarHBondContact O-CB 3.44Å; A344-R346 PolarHBondContact O-N 3.15Å; R346-D369 IonicContact CZ-OD1 2.77Å; R346-D369 IonicContact CZ-OD2 3.93Å; R346-D369 VanDerWaalsContact CZ-OD2 3.31Å; R346-D369 VanDerWaalsContact NH1-CG 3.32Å; R346-D369 IonicContact NH1-OD1 2.71Å; R346-D369 PolarHBondContact NH1-OD1 3.13Å; R346-D369 IonicContact NH1-OD2 3.41Å; R346-D369 PolarHBondContact NH1-OD2 3.1Å; R346-D369 VanDerWaalsContact NH1-OD2 3.11Å; R346-D369 IonicContact NH2-OD1 2.64Å; R346-D369 IonicContact NH2-OD2 2.85Å; R346-D369 PolarHBondContact NH2-OD2 3.4Å |
| 347 | I | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -66 | 124.8 | 176 | -61.5 | 169.3 | 0 | 0 | 0 | 109.1 | F236 K274 F306 A344 T345 A349 V350 K351 | F236-I347 HydrophobicContact CB-CD1 4.48Å; F236-I347 HydrophobicContact CD1-CD1 3.98Å; F236-I347 HydrophobicContact CD2-CD1 4.36Å; F236-I347 HydrophobicContact CE1-CD1 4.29Å; F236-I347 HydrophobicContact CG-CD1 4.02Å; K274-I347 HydrophobicContact CD-CD1 4.27Å; K274-I347 HydrophobicContact CG-CD1 4.44Å; F306-I347 HydrophobicContact CE1-CG2 4.21Å; F306-I347 HydrophobicContact CZ-CD1 4.39Å; A344-I347 WeakPolarHBondContact O-CG1 3.29Å; A344-I347 PolarHBondContact O-N 3.49Å; A344-I347 VanDerWaalsContact O-N 3.14Å; T345-I347 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 3.42Å; I347-V350 HydrophobicContact CB-CB 4.18Å; I347-V350 HydrophobicContact CB-CG2 3.77Å; I347-V350 HydrophobicContact CD1-CG2 4.33Å; I347-V350 HydrophobicContact CG2-CG2 3.98Å; I347-V350 WeakPolarHBondContact O-CB 3.2Å; I347-V350 PolarHBondContact O-N 3Å; I347-K351 PolarHBondContact O-N 2.95Å |
| 348 | P | 97.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.7 | -53.4 | -176.4 | -30.1 | 37.5 | 0 | 0 | 0 | 113.9 | V350 K351 E352 | P348-V350 PolarHBondContact O-N 3.23Å; P348-V350 VanDerWaalsContact O-N 3.11Å; P348-K351 WeakPolarHBondContact O-CB 3.25Å; P348-K351 PolarHBondContact O-N 2.99Å; P348-E352 WeakPolarHBondContact O-CG 3.48Å; P348-E352 PolarHBondContact O-N 2.83Å |
| 349 | A | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -27.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E307 L314 I347 R353 | E307-A349 HydrophobicContact CG-CB 3.86Å; E307-A349 WeakPolarHBondContact OE1-CB 3.4Å; E307-A349 PolarHBondContact OE1-N 2.98Å; L314-A349 HydrophobicContact CD1-CB 3.79Å; L314-A349 HydrophobicContact CD2-CB 3.78Å; L314-A349 HydrophobicContact CG-CB 4.46Å; I347-A349 PolarHBondContact O-N 3.42Å; A349-R353 WeakPolarHBondContact O-CG 3.47Å; A349-R353 PolarHBondContact O-N 3.16Å; A349-R353 VanDerWaalsContact O-N 3.08Å |
| 350 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | M203 F236 L314 I317 I347 P348 R353 I354 | M203-V350 HydrophobicContact SD-CG1 3.86Å; M203-V350 HydrophobicContact SD-CG2 4.16Å; F236-V350 HydrophobicContact CZ-CG2 4.22Å; L314-V350 HydrophobicContact CD2-CG2 4.02Å; I317-V350 HydrophobicContact CD1-CB 4.3Å; I317-V350 HydrophobicContact CD1-CG1 4.18Å; I317-V350 HydrophobicContact CD1-CG2 3.97Å; I347-V350 HydrophobicContact CB-CB 4.18Å; I347-V350 HydrophobicContact CB-CG2 3.77Å; I347-V350 HydrophobicContact CD1-CG2 4.33Å; I347-V350 HydrophobicContact CG2-CG2 3.98Å; I347-V350 WeakPolarHBondContact O-CB 3.2Å; I347-V350 PolarHBondContact O-N 3Å; P348-V350 PolarHBondContact O-N 3.23Å; P348-V350 VanDerWaalsContact O-N 3.11Å; V350-R353 PolarHBondContact O-N 3.09Å; V350-I354 HydrophobicContact CG1-CD1 3.99Å; V350-I354 WeakPolarHBondContact O-CD1 3.37Å; V350-I354 WeakPolarHBondContact O-CG1 3.35Å; V350-I354 PolarHBondContact O-N 2.69Å |
| 351 | K | 97.1 | Very high | 97.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.6 | -59.6 | -169.2 | -178.2 | -174.6 | 0 | 111.8 | I340 T345 I347 P348 R353 I354 A355 V362 | I340-K351 HydrophobicContact CD1-CD 3.83Å; I340-K351 HydrophobicContact CD1-CG 3.87Å; T345-K351 WeakPolarHBondContact O-CE 3.48Å; T345-K351 WeakPolarHBondContact O-CG 3.32Å; I347-K351 PolarHBondContact O-N 2.95Å; P348-K351 WeakPolarHBondContact O-CB 3.25Å; P348-K351 PolarHBondContact O-N 2.99Å; K351-R353 VanDerWaalsContact C-N 3.33Å; K351-R353 PolarHBondContact O-N 3.07Å; K351-I354 PolarHBondContact O-N 3.15Å; K351-A355 WeakPolarHBondContact O-CB 3.33Å; K351-A355 PolarHBondContact O-N 2.9Å; K351-V362 HydrophobicContact CB-CG2 4.19Å; K351-V362 HydrophobicContact CD-CG2 4.47Å |
| 352 | E | 97.3 | Very high | 97.4 | Very high | 124 Ų | 124 | 48.1 Ų | 48.1 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | -179.1 | -70.5 | 172.2 | -155.3 | 0 | 0 | 112 | P348 K356 | P348-E352 WeakPolarHBondContact O-CG 3.48Å; P348-E352 PolarHBondContact O-N 2.83Å; E352-K356 WeakPolarHBondContact O-CB 3.28Å; E352-K356 PolarHBondContact O-N 3.35Å |
| 353 | R | 97.8 | Very high | 97.4 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 173.8 | -71.1 | -77 | 159.9 | 175.8 | 2.3 | 112 | I317 E318 A349 V350 K351 F357 | I317-R353 HydrophobicContact CD1-CB 4.3Å; I317-R353 HydrophobicContact CD1-CG 4.4Å; I317-R353 HydrophobicContact CG2-CB 4.19Å; E318-R353 WeakPolarHBondContact OE1-CD 3.45Å; E318-R353 IonicContact OE1-CZ 3.7Å; E318-R353 IonicContact OE1-NE 2.7Å; E318-R353 IonicContact OE1-NH1 2.63Å; E318-R353 PolarHBondContact OE1-NH1 2.94Å; A349-R353 WeakPolarHBondContact O-CG 3.47Å; A349-R353 PolarHBondContact O-N 3.16Å; A349-R353 VanDerWaalsContact O-N 3.08Å; V350-R353 PolarHBondContact O-N 3.09Å; K351-R353 VanDerWaalsContact C-N 3.33Å; K351-R353 PolarHBondContact O-N 3.07Å; R353-F357 WeakPolarHBondContact O-CB 3.36Å; R353-F357 PolarHBondContact O-N 2.84Å |
| 354 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 179 | -62 | 158.2 | 0 | 0 | 0 | 110.5 | V201 F208 I317 L321 I338 I340 V350 K351 K356 F357 F358 V362 | V201-I354 HydrophobicContact CG1-CD1 3.74Å; V201-I354 HydrophobicContact CG1-CG1 4.38Å; V201-I354 HydrophobicContact CG2-CG2 4.27Å; F208-I354 HydrophobicContact CE2-CD1 4.49Å; I317-I354 HydrophobicContact CG2-CG1 4.09Å; L321-I354 HydrophobicContact CD1-CG1 4.47Å; I338-I354 HydrophobicContact CG2-CG2 3.92Å; I340-I354 HydrophobicContact CG2-CD1 4.24Å; V350-I354 HydrophobicContact CG1-CD1 3.99Å; V350-I354 WeakPolarHBondContact O-CD1 3.37Å; V350-I354 WeakPolarHBondContact O-CG1 3.35Å; V350-I354 PolarHBondContact O-N 2.69Å; K351-I354 PolarHBondContact O-N 3.15Å; I354-K356 PolarHBondContact O-N 2.99Å; I354-F357 PolarHBondContact O-N 3.08Å; I354-F358 HydrophobicContact CG2-CD2 4.16Å; I354-F358 HydrophobicContact CG2-CE2 4.17Å; I354-F358 WeakPolarHBondContact O-CD2 3.43Å; I354-F358 PolarHBondContact O-N 2.81Å; I354-V362 HydrophobicContact CB-CG1 4.14Å; I354-V362 HydrophobicContact CG2-CG1 3.66Å |
| 355 | A | 98 | Very high | 97.3 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K351 F357 F358 G359 K360 V362 | K351-A355 WeakPolarHBondContact O-CB 3.33Å; K351-A355 PolarHBondContact O-N 2.9Å; A355-F357 PolarHBondContact O-N 3.42Å; A355-F358 PolarHBondContact O-N 3.34Å; A355-G359 WeakPolarHBondContact O-CA 3.23Å; A355-G359 PolarHBondContact O-N 3.14Å; A355-K360 VanDerWaalsContact CA-O 3.25Å; A355-K360 WeakPolarHBondContact CA-O 3.25Å; A355-K360 WeakPolarHBondContact CB-O 3.42Å; A355-K360 PolarHBondContact O-N 3.47Å; A355-V362 HydrophobicContact CB-CG1 4.29Å |
| 356 | K | 97.6 | Very high | 97.3 | Very high | 156 Ų | 156 | 56.9 Ų | 56.9 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 176.9 | -176.1 | -176.5 | 177.8 | -170.8 | 0 | 112.5 | E352 I354 G359 | E352-K356 WeakPolarHBondContact O-CB 3.28Å; E352-K356 PolarHBondContact O-N 3.35Å; I354-K356 PolarHBondContact O-N 2.99Å; K356-G359 PolarHBondContact O-N 3.31Å |
| 357 | F | 97.6 | Very high | 97.2 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177 | 175.5 | -86.1 | 0 | 0 | 0 | 112 | L321 H322 M325 R353 I354 A355 | L321-F357 VanDerWaalsContact C-CZ 3.45Å; L321-F357 HydrophobicContact CB-CD1 3.91Å; L321-F357 HydrophobicContact CB-CD2 3.9Å; L321-F357 HydrophobicContact CB-CE1 3.75Å; L321-F357 HydrophobicContact CB-CE2 3.71Å; L321-F357 HydrophobicContact CB-CG 4Å; L321-F357 HydrophobicContact CB-CZ 3.65Å; L321-F357 HydrophobicContact CD1-CB 4Å; L321-F357 HydrophobicContact CD1-CD1 4.12Å; L321-F357 HydrophobicContact CD1-CD2 4.3Å; L321-F357 HydrophobicContact CD1-CG 3.88Å; L321-F357 HydrophobicContact CD2-CD1 4.49Å; L321-F357 HydrophobicContact CG-CD1 4.41Å; H322-F357 AromaticContact CD2-CE2 3.8Å; H322-F357 AromaticContact CE1-CE2 3.76Å; H322-F357 AromaticContact CG-CE2 3.8Å; H322-F357 AromaticContact ND1-CE2 3.78Å; H322-F357 AromaticContact NE2-CE2 3.78Å; M325-F357 HydrophobicContact CG-CE1 3.89Å; M325-F357 HydrophobicContact CG-CZ 3.91Å; R353-F357 WeakPolarHBondContact O-CB 3.36Å; R353-F357 PolarHBondContact O-N 2.84Å; I354-F357 PolarHBondContact O-N 3.08Å; A355-F357 PolarHBondContact O-N 3.42Å |
| 358 | F | 97.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -83.1 | -14.9 | 180 | -70.7 | -71 | 0 | 0 | 0 | 114.3 | V199 L321 M325 T332 V335 I338 I354 A355 K360 | V199-F358 HydrophobicContact CB-CZ 4.3Å; V199-F358 HydrophobicContact CG1-CE2 4.42Å; V199-F358 HydrophobicContact CG1-CZ 3.94Å; V199-F358 HydrophobicContact CG2-CE1 4.28Å; V199-F358 HydrophobicContact CG2-CZ 4.21Å; L321-F358 HydrophobicContact CD2-CE2 3.69Å; L321-F358 HydrophobicContact CD2-CZ 3.83Å; M325-F358 HydrophobicContact CE-CE1 4.45Å; M325-F358 HydrophobicContact SD-CE1 3.88Å; T332-F358 HydrophobicContact CG2-CD1 4.11Å; V335-F358 HydrophobicContact CG2-CD1 4.37Å; V335-F358 HydrophobicContact CG2-CE1 4.16Å; I338-F358 HydrophobicContact CD1-CB 3.52Å; I338-F358 HydrophobicContact CD1-CD1 4.43Å; I338-F358 HydrophobicContact CD1-CD2 3.71Å; I338-F358 HydrophobicContact CD1-CG 3.63Å; I338-F358 HydrophobicContact CG1-CB 4.31Å; I338-F358 HydrophobicContact CG1-CD1 4.39Å; I338-F358 HydrophobicContact CG1-CD2 3.63Å; I338-F358 HydrophobicContact CG1-CE2 4.01Å; I338-F358 HydrophobicContact CG1-CG 3.85Å; I338-F358 HydrophobicContact CG2-CD2 4.26Å; I338-F358 HydrophobicContact CG2-CE2 4.15Å; I354-F358 HydrophobicContact CG2-CD2 4.16Å; I354-F358 HydrophobicContact CG2-CE2 4.17Å; I354-F358 WeakPolarHBondContact O-CD2 3.43Å; I354-F358 PolarHBondContact O-N 2.81Å; A355-F358 PolarHBondContact O-N 3.34Å; F358-K360 HydrophobicContact CB-CB 4.25Å; F358-K360 PolarHBondContact O-N 3.15Å |
| 359 | G | 96.8 | Very high | 97 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 26.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A355 K356 | A355-G359 WeakPolarHBondContact O-CA 3.23Å; A355-G359 PolarHBondContact O-N 3.14Å; K356-G359 PolarHBondContact O-N 3.31Å |
| 360 | K | 96 | Very high | 97 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -147.1 | 142.5 | -169.6 | -72.3 | 172.6 | 176.4 | 171 | 0 | 109.9 | T332 E333 V335 I338 A355 F358 | T332-K360 PolarHBondContact O-NZ 3.39Å; E333-K360 PolarHBondContact O-NZ 2.91Å; E333-K360 VanDerWaalsContact O-NZ 3.13Å; V335-K360 PolarHBondContact O-NZ 2.98Å; I338-K360 HydrophobicContact CD1-CB 3.76Å; A355-K360 VanDerWaalsContact CA-O 3.25Å; A355-K360 WeakPolarHBondContact CA-O 3.25Å; A355-K360 WeakPolarHBondContact CB-O 3.42Å; A355-K360 PolarHBondContact O-N 3.47Å; F358-K360 HydrophobicContact CB-CB 4.25Å; F358-K360 PolarHBondContact O-N 3.15Å |
| 361 | D | 97.1 | Very high | 97 | Very high | 148 Ų | 148 | 56.7 Ų | 56.7 | 79% | 0.791 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 147.7 | 178.2 | -67.1 | -48.1 | 0 | 0 | 0 | 112.7 | ||
| 362 | V | 97.4 | Very high | 97 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 131.7 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | I338 I340 K351 I354 A355 | I338-V362 HydrophobicContact CB-CG1 4.5Å; I338-V362 HydrophobicContact CG2-CG1 4.18Å; I340-V362 HydrophobicContact CD1-CB 4.31Å; I340-V362 HydrophobicContact CD1-CG2 3.96Å; I340-V362 HydrophobicContact CG1-CB 4.35Å; I340-V362 HydrophobicContact CG2-CB 3.93Å; I340-V362 HydrophobicContact CG2-CG1 3.86Å; K351-V362 HydrophobicContact CB-CG2 4.19Å; K351-V362 HydrophobicContact CD-CG2 4.47Å; I354-V362 HydrophobicContact CB-CG1 4.14Å; I354-V362 HydrophobicContact CG2-CG1 3.66Å; A355-V362 HydrophobicContact CB-CG1 4.29Å |
| 363 | S | 97.2 | Very high | 97.1 | Very high | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 146.6 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.3 | I338 E339 I340 | I338-S363 WeakPolarHBondContact O-CA 3.4Å; I338-S363 WeakPolarHBondContact O-CB 3.14Å; I338-S363 PolarHBondContact O-N 3.27Å; E339-S363 WeakPolarHBondContact CA-O 3.34Å; E339-S363 VanDerWaalsContact CD-CB 3.4Å; E339-S363 WeakPolarHBondContact OE1-CB 3.41Å; I340-S363 PolarHBondContact N-O 2.68Å |
| 364 | T | 96.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | trans | -130.8 | 50.3 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | I340 L366 | I340-T364 HydrophobicContact CD1-CG2 3.92Å; I340-T364 HydrophobicContact CG1-CG2 3.72Å; T364-L366 PolarHBondContact O-N 3.21Å | ||
| 365 | T | 95.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | trans | -80.9 | -7.3 | 179.9 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | K185 E339 | K185-T365 PolarHBondContact NZ-OG1 3.42Å; E339-T365 WeakPolarHBondContact OE1-CB 3.46Å; E339-T365 WeakPolarHBondContact OE1-CG2 3.43Å; E339-T365 PolarHBondContact OE1-OG1 3.17Å; E339-T365 PolarHBondContact OE2-N 2.79Å | ||
| 366 | L | 96.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -104.3 | 150.1 | 171 | -52.8 | 179.4 | 0 | 0 | 0 | 110.9 | V177 Y181 F200 V341 T364 A368 A371 | V177-L366 HydrophobicContact CG1-CD1 3.53Å; Y181-L366 HydrophobicContact CD2-CD2 4.29Å; Y181-L366 HydrophobicContact CD2-CG 4.49Å; F200-L366 HydrophobicContact CE1-CD1 4.22Å; V341-L366 HydrophobicContact CG1-CB 4.35Å; V341-L366 HydrophobicContact CG1-CD1 4.29Å; T364-L366 PolarHBondContact O-N 3.21Å; L366-A368 PolarHBondContact O-N 3.47Å; L366-A371 HydrophobicContact CB-CB 4.2Å; L366-A371 HydrophobicContact CD1-CB 4.41Å |
| 367 | N | 96.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | trans | -69.8 | 116 | 165 | -179.6 | -27.6 | 0 | 0 | 0 | 109 | D369 E370 A371 | N367-D369 PolarHBondContact O-N 2.82Å; N367-D369 VanDerWaalsContact O-N 3.16Å; N367-D369 PolarHBondContact OD1-N 2.78Å; N367-E370 HydrophobicContact CB-CB 4.07Å; N367-E370 HydrophobicContact CB-CG 4.48Å; N367-E370 VanDerWaalsContact ND2-CG 3.34Å; N367-E370 WeakPolarHBondContact ND2-CG 3.34Å; N367-E370 PolarHBondContact ND2-OE1 3.28Å; N367-E370 PolarHBondContact ND2-OE2 3.37Å; N367-E370 PolarHBondContact O-N 3.08Å; N367-E370 PolarHBondContact OD1-N 3.29Å; N367-A371 VanDerWaalsContact O-CB 3.23Å; N367-A371 WeakPolarHBondContact O-CB 3.48Å; N367-A371 PolarHBondContact O-N 3.03Å | ||
| 368 | A | 95.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G342 L366 | G342-A368 PolarHBondContact N-O 2.81Å; L366-A368 PolarHBondContact O-N 3.47Å |
| 369 | D | 96.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -38.9 | 178.5 | -54.1 | -52.2 | 0 | 0 | 0 | 112 | Y14 R346 N367 | Y14-D369 HydrophobicContact CE1-CB 4.09Å; Y14-D369 HydrophobicContact CE2-CB 4.04Å; R346-D369 IonicContact CZ-OD1 2.77Å; R346-D369 IonicContact CZ-OD2 3.93Å; R346-D369 VanDerWaalsContact CZ-OD2 3.31Å; R346-D369 VanDerWaalsContact NH1-CG 3.32Å; R346-D369 IonicContact NH1-OD1 2.71Å; R346-D369 PolarHBondContact NH1-OD1 3.13Å; R346-D369 IonicContact NH1-OD2 3.41Å; R346-D369 PolarHBondContact NH1-OD2 3.1Å; R346-D369 VanDerWaalsContact NH1-OD2 3.11Å; R346-D369 IonicContact NH2-OD1 2.64Å; R346-D369 IonicContact NH2-OD2 2.85Å; R346-D369 PolarHBondContact NH2-OD2 3.4Å; N367-D369 PolarHBondContact O-N 2.82Å; N367-D369 VanDerWaalsContact O-N 3.16Å; N367-D369 PolarHBondContact OD1-N 2.78Å |
| 370 | E | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -14.7 | -172.4 | -62.4 | 176.2 | -179.5 | 0 | 0 | 114.1 | T25 R33 N367 V372 A373 R374 | T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.81Å; T25-E370 PolarHBondContact OG1-OE1 3.3Å; T25-E370 PolarHBondContact OG1-OE2 2.93Å; R33-E370 VanDerWaalsContact CD-OE1 3.28Å; R33-E370 WeakPolarHBondContact CD-OE1 3.47Å; R33-E370 IonicContact CZ-OE1 3.68Å; R33-E370 IonicContact NE-OE1 3.31Å; R33-E370 IonicContact NH1-OE1 2.66Å; R33-E370 PolarHBondContact NH1-OE1 3.13Å; R33-E370 IonicContact NH1-OE2 2.78Å; N367-E370 HydrophobicContact CB-CB 4.07Å; N367-E370 HydrophobicContact CB-CG 4.48Å; N367-E370 VanDerWaalsContact ND2-CG 3.34Å; N367-E370 WeakPolarHBondContact ND2-CG 3.34Å; N367-E370 PolarHBondContact ND2-OE1 3.28Å; N367-E370 PolarHBondContact ND2-OE2 3.37Å; N367-E370 PolarHBondContact O-N 3.08Å; N367-E370 PolarHBondContact OD1-N 3.29Å; E370-V372 PolarHBondContact O-N 3.19Å; E370-A373 PolarHBondContact O-N 3.36Å; E370-R374 HydrophobicContact CB-CG 4.41Å; E370-R374 WeakPolarHBondContact O-CB 3.23Å; E370-R374 VanDerWaalsContact O-CG 3.25Å; E370-R374 WeakPolarHBondContact O-CG 3.28Å; E370-R374 PolarHBondContact O-N 3.36Å; E370-R374 IonicContact OE2-CZ 3.25Å; E370-R374 VanDerWaalsContact OE2-CZ 3.26Å; E370-R374 IonicContact OE2-NE 2.67Å; E370-R374 PolarHBondContact OE2-NE 3.26Å; E370-R374 IonicContact OE2-NH2 3.31Å; E370-R374 PolarHBondContact OE2-NH2 3.45Å |
| 371 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V177 V341 L366 N367 G375 | V177-A371 HydrophobicContact CG2-CB 4.13Å; V341-A371 HydrophobicContact CG1-CB 4.18Å; L366-A371 HydrophobicContact CB-CB 4.2Å; L366-A371 HydrophobicContact CD1-CB 4.41Å; N367-A371 VanDerWaalsContact O-CB 3.23Å; N367-A371 WeakPolarHBondContact O-CB 3.48Å; N367-A371 PolarHBondContact O-N 3.03Å; A371-G375 PolarHBondContact O-N 3.32Å |
| 372 | V | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 9% | 0.085 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -54.4 | 178.8 | -178 | 0 | 0 | 0 | 0 | 109.9 | D7 S143 D173 A176 V177 E370 R374 G375 C376 | D7-V372 HydrophobicContact CB-CB 4.03Å; D7-V372 HydrophobicContact CB-CG1 3.9Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.05Å; S143-V372 VanDerWaalsContact CB-CG1 3.47Å; D173-V372 HydrophobicContact CB-CG1 4.41Å; D173-V372 HydrophobicContact CB-CG2 4.45Å; A176-V372 HydrophobicContact CB-CG1 4.24Å; V177-V372 HydrophobicContact CG2-CG2 3.68Å; E370-V372 PolarHBondContact O-N 3.19Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.39Å; V372-G375 WeakPolarHBondContact O-CA 3.33Å; V372-G375 PolarHBondContact O-N 2.89Å; V372-C376 PolarHBondContact O-N 3.47Å; V372-C376 PolarHBondContact O-SG 2.82Å |
| 373 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | D7 Y14 A16 T25 E370 G375 C376 A377 | D7-A373 HydrophobicContact CB-CB 3.84Å; Y14-A373 WeakPolarHBondContact O-CB 3.39Å; A16-A373 HydrophobicContact CB-CB 3.99Å; A16-A373 WeakPolarHBondContact CB-O 3.2Å; T25-A373 HydrophobicContact CG2-CB 4.39Å; E370-A373 PolarHBondContact O-N 3.36Å; A373-G375 VanDerWaalsContact C-N 3.32Å; A373-G375 PolarHBondContact O-N 2.74Å; A373-C376 PolarHBondContact O-N 2.87Å; A373-A377 PolarHBondContact O-N 3.32Å |
| 374 | R | 97.9 | Very high | 96.3 | Very high | 60 Ų | 60 | 27 Ų | 27 | 23% | 0.226 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -43.7 | 174.6 | -71.2 | 169.4 | 175.4 | -94.8 | 5.2 | 111.5 | A16 I23 T25 E370 V372 A377 L378 | A16-R374 HydrophobicContact CB-CG 4.42Å; I23-R374 HydrophobicContact CG2-CB 4.26Å; I23-R374 HydrophobicContact CG2-CG 4.29Å; I23-R374 PolarHBondContact O-NH1 2.89Å; T25-R374 HydrophobicContact CG2-CG 4.09Å; E370-R374 HydrophobicContact CB-CG 4.41Å; E370-R374 WeakPolarHBondContact O-CB 3.23Å; E370-R374 VanDerWaalsContact O-CG 3.25Å; E370-R374 WeakPolarHBondContact O-CG 3.28Å; E370-R374 PolarHBondContact O-N 3.36Å; E370-R374 IonicContact OE2-CZ 3.25Å; E370-R374 VanDerWaalsContact OE2-CZ 3.26Å; E370-R374 IonicContact OE2-NE 2.67Å; E370-R374 PolarHBondContact OE2-NE 3.26Å; E370-R374 IonicContact OE2-NH2 3.31Å; E370-R374 PolarHBondContact OE2-NH2 3.45Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.39Å; R374-A377 PolarHBondContact O-N 3.13Å; R374-L378 VanDerWaalsContact O-CG 3.31Å; R374-L378 WeakPolarHBondContact O-CG 3.49Å; R374-L378 PolarHBondContact O-N 2.74Å |
| 375 | G | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A176 A371 V372 A373 A377 L378 Q379 | A176-G375 VanDerWaalsContact O-CA 3.26Å; A176-G375 WeakPolarHBondContact O-CA 3.17Å; A371-G375 PolarHBondContact O-N 3.32Å; V372-G375 WeakPolarHBondContact O-CA 3.33Å; V372-G375 PolarHBondContact O-N 2.89Å; A373-G375 VanDerWaalsContact C-N 3.32Å; A373-G375 PolarHBondContact O-N 2.74Å; G375-A377 VanDerWaalsContact C-N 3.35Å; G375-A377 PolarHBondContact O-N 3.29Å; G375-L378 PolarHBondContact O-N 3.31Å; G375-Q379 WeakPolarHBondContact O-CB 3.41Å; G375-Q379 PolarHBondContact O-N 2.77Å |
| 376 | C | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 174.2 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | V141 V372 A373 Q379 C380 | V141-C376 HydrophobicContact CB-CB 4.22Å; V141-C376 WeakPolarHBondContact CB-O 3.3Å; V141-C376 HydrophobicContact CG1-CB 3.81Å; V372-C376 PolarHBondContact O-N 3.47Å; V372-C376 PolarHBondContact O-SG 2.82Å; A373-C376 PolarHBondContact O-N 2.87Å; C376-Q379 PolarHBondContact O-N 2.95Å; C376-C380 WeakPolarHBondContact O-CB 3.4Å; C376-C380 PolarHBondContact O-N 2.83Å |
| 377 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.8 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V3 A16 I23 A373 R374 G375 Q379 C380 A381 | V3-A377 WeakPolarHBondContact CG1-O 3.37Å; A16-A377 HydrophobicContact CB-CB 3.67Å; I23-A377 HydrophobicContact CD1-CB 4.25Å; I23-A377 HydrophobicContact CG2-CB 3.66Å; A373-A377 PolarHBondContact O-N 3.32Å; R374-A377 PolarHBondContact O-N 3.13Å; G375-A377 VanDerWaalsContact C-N 3.35Å; G375-A377 PolarHBondContact O-N 3.29Å; A377-Q379 VanDerWaalsContact C-N 3.34Å; A377-C380 PolarHBondContact O-N 2.66Å; A377-A381 WeakPolarHBondContact O-CB 3.35Å; A377-A381 PolarHBondContact O-N 2.93Å |
| 378 | L | 96.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 168.7 | -73.9 | 165.7 | 0 | 0 | 0 | 111.3 | I23 L179 N180 I183 Y184 R374 G375 C380 A381 I382 | I23-L378 HydrophobicContact CG1-CD2 3.62Å; I23-L378 HydrophobicContact CG1-CG 3.91Å; L179-L378 HydrophobicContact CD2-CB 3.84Å; L179-L378 HydrophobicContact CG-CB 4.17Å; L179-L378 HydrophobicContact CG-CD1 4.42Å; N180-L378 HydrophobicContact CB-CD1 4.14Å; I183-L378 HydrophobicContact CD1-CD2 4.31Å; I183-L378 HydrophobicContact CG2-CD1 3.74Å; I183-L378 HydrophobicContact CG2-CD2 4.08Å; Y184-L378 HydrophobicContact CE2-CD1 4.14Å; R374-L378 VanDerWaalsContact O-CG 3.31Å; R374-L378 WeakPolarHBondContact O-CG 3.49Å; R374-L378 PolarHBondContact O-N 2.74Å; G375-L378 PolarHBondContact O-N 3.31Å; L378-C380 VanDerWaalsContact C-N 3.34Å; L378-C380 PolarHBondContact O-N 2.67Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.24Å; L378-I382 PolarHBondContact O-N 2.71Å |
| 379 | Q | 97 | Very high | 93.7 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -35.4 | 177.1 | 179.6 | 61.3 | 97.8 | 0 | 0 | 112.5 | V141 M171 L179 G375 C376 A377 I382 L383 | V141-Q379 HydrophobicContact CG1-CB 4.26Å; V141-Q379 HydrophobicContact CG1-CG 4.17Å; V141-Q379 HydrophobicContact CG2-CG 4.23Å; M171-Q379 HydrophobicContact CE-CB 3.93Å; M171-Q379 HydrophobicContact CE-CG 4.12Å; M171-Q379 HydrophobicContact SD-CB 3.51Å; M171-Q379 VanDerWaalsContact SD-CB 3.51Å; M171-Q379 HydrophobicContact SD-CG 3.77Å; L179-Q379 HydrophobicContact CD2-CB 3.89Å; G375-Q379 WeakPolarHBondContact O-CB 3.41Å; G375-Q379 PolarHBondContact O-N 2.77Å; C376-Q379 PolarHBondContact O-N 2.95Å; A377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-I382 PolarHBondContact O-N 3.13Å; Q379-L383 HydrophobicContact CG-CD1 4.23Å; Q379-L383 WeakPolarHBondContact O-CG 3.37Å; Q379-L383 PolarHBondContact O-N 2.75Å |
| 380 | C | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 111 | V3 V4 V141 C376 A377 L378 L383 S384 | V3-C380 HydrophobicContact CG1-CB 4.03Å; V4-C380 PolarHBondContact N-SG 2.76Å; V4-C380 VanDerWaalsContact N-SG 3.45Å; V141-C380 HydrophobicContact CB-CB 4.13Å; V141-C380 HydrophobicContact CG2-CB 3.68Å; C376-C380 WeakPolarHBondContact O-CB 3.4Å; C376-C380 PolarHBondContact O-N 2.83Å; A377-C380 PolarHBondContact O-N 2.66Å; L378-C380 VanDerWaalsContact C-N 3.34Å; L378-C380 PolarHBondContact O-N 2.67Å; C380-L383 PolarHBondContact O-N 3Å; C380-S384 WeakPolarHBondContact O-CB 3.22Å; C380-S384 PolarHBondContact O-N 2.59Å; C380-S384 VanDerWaalsContact O-N 3.11Å |
| 381 | A | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V3 A377 L378 L383 S384 V389 | V3-A381 HydrophobicContact CG1-CB 3.96Å; V3-A381 HydrophobicContact CG2-CB 4.41Å; A377-A381 WeakPolarHBondContact O-CB 3.35Å; A377-A381 PolarHBondContact O-N 2.93Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.96Å; A381-L383 PolarHBondContact O-N 2.69Å; A381-S384 PolarHBondContact O-N 3.06Å; A381-S384 VanDerWaalsContact O-N 3.09Å; A381-V389 HydrophobicContact CB-CG1 3.65Å |
| 382 | I | 94.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -32.7 | 175 | -70.6 | 164.7 | 0 | 0 | 0 | 112.1 | L179 L378 Q379 V389 | L179-I382 HydrophobicContact CD1-CD1 4.12Å; L179-I382 HydrophobicContact CD2-CD1 3.98Å; L378-I382 WeakPolarHBondContact O-CG1 3.24Å; L378-I382 PolarHBondContact O-N 2.71Å; Q379-I382 PolarHBondContact O-N 3.13Å; I382-V389 HydrophobicContact CB-CG2 4.35Å; I382-V389 HydrophobicContact CG1-CG2 3.7Å |
| 383 | L | 93.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 53.6 Ų | 53.6 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -89.8 | -6.1 | 179.6 | -65.4 | 168.3 | 0 | 0 | 0 | 113.2 | V141 L168 R169 Q379 C380 A381 | V141-L383 HydrophobicContact CG2-CD1 4.34Å; L168-L383 HydrophobicContact CB-CD1 3.95Å; L168-L383 HydrophobicContact CD1-CB 4.06Å; R169-L383 HydrophobicContact CB-CD1 3.88Å; Q379-L383 HydrophobicContact CG-CD1 4.23Å; Q379-L383 WeakPolarHBondContact O-CG 3.37Å; Q379-L383 PolarHBondContact O-N 2.75Å; C380-L383 PolarHBondContact O-N 3Å; A381-L383 PolarHBondContact O-N 2.69Å |
| 384 | S | 89.9 | Confident | 92.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -90.1 | 120.9 | -175.9 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | M1 C380 A381 A386 F387 | M1-S384 PolarHBondContact SD-OG 3.4Å; C380-S384 WeakPolarHBondContact O-CB 3.22Å; C380-S384 PolarHBondContact O-N 2.59Å; C380-S384 VanDerWaalsContact O-N 3.11Å; A381-S384 PolarHBondContact O-N 3.06Å; A381-S384 VanDerWaalsContact O-N 3.09Å; S384-A386 PolarHBondContact O-N 3.2Å; S384-A386 PolarHBondContact OG-N 3.29Å; S384-F387 PolarHBondContact O-N 2.89Å | ||
| 385 | P | 86.9 | Confident | 92.4 | Very high | 123 Ų | 123 | 53.4 Ų | 53.4 | 80% | 0.799 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.8 | 175 | 29.2 | -36 | 0 | 0 | 0 | 113.3 | ||
| 386 | A | 85.3 | Confident | 92.3 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S384 | S384-A386 PolarHBondContact O-N 3.2Å; S384-A386 PolarHBondContact OG-N 3.29Å |
| 387 | F | 83.9 | Confident | 92.2 | Very high | 85 Ų | 85 | 53.9 Ų | 53.9 | 37% | 0.373 | 29% | 0.286 | S | S | . | . | trans | -117.3 | 116.4 | -174.6 | -75.4 | -98 | 0 | 0 | 0 | 111.3 | V3 A18 S384 V389 | V3-F387 HydrophobicContact CB-CE2 4.38Å; V3-F387 HydrophobicContact CG2-CD2 3.44Å; V3-F387 VanDerWaalsContact CG2-CD2 3.44Å; V3-F387 HydrophobicContact CG2-CE2 3.52Å; V3-F387 HydrophobicContact CG2-CG 4Å; V3-F387 HydrophobicContact CG2-CZ 4.13Å; A18-F387 HydrophobicContact CB-CD1 4.3Å; A18-F387 HydrophobicContact CB-CE1 3.77Å; A18-F387 HydrophobicContact CB-CZ 4.22Å; S384-F387 PolarHBondContact O-N 2.89Å; F387-V389 PolarHBondContact O-N 2.9Å | ||
| 388 | K | 83.3 | Confident | 92.1 | Very high | 219 Ų | 219 | 54.3 Ų | 54.3 | 95% | 0.952 | 29% | 0.288 | S | S | * | . | trans | -82.5 | 107.5 | 169.5 | -69.3 | -175.9 | 178 | -178.9 | 0 | 109.3 | ||||
| 389 | V | 87.3 | Confident | 91.9 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 38% | 0.376 | 29% | 0.291 | S | S | . | . | trans | -106.7 | 167.5 | 173.3 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | A381 I382 F387 E391 | A381-V389 HydrophobicContact CB-CG1 3.65Å; I382-V389 HydrophobicContact CB-CG2 4.35Å; I382-V389 HydrophobicContact CG1-CG2 3.7Å; F387-V389 PolarHBondContact O-N 2.9Å; V389-E391 PolarHBondContact O-N 2.69Å | ||
| 390 | R | 86.9 | Confident | 91.8 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 37% | 0.366 | 29% | 0.289 | S | S | . | . | trans | -56.9 | 129.9 | 169.3 | -172.8 | -173.3 | -160.9 | 172.2 | 13.1 | 109.5 | I183 K185 Q186 F392 | I183-R390 HydrophobicContact CD1-CB 4.42Å; I183-R390 HydrophobicContact CG1-CB 4.38Å; I183-R390 PolarHBondContact O-NH1 2.87Å; K185-R390 PolarHBondContact O-NH1 3.05Å; Q186-R390 VanDerWaalsContact OE1-CZ 3.31Å; Q186-R390 VanDerWaalsContact OE1-NH1 3.07Å; R390-F392 PolarHBondContact O-N 2.96Å; R390-F392 VanDerWaalsContact O-N 3.16Å | ||
| 391 | E | 88.4 | Confident | 91.8 | Very high | 179 Ų | 179 | 54.8 Ų | 54.8 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | trans | -58.1 | 120.6 | 173.4 | -68.1 | -173.5 | 177.2 | 0 | 0 | 110.2 | V389 | V389-E391 PolarHBondContact O-N 2.69Š| ||
| 392 | F | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | trans | -145.5 | 112.5 | 179.2 | -159.3 | -76.9 | 0 | 0 | 0 | 110.6 | L179 G182 I183 F215 G218 L220 R390 V394 | L179-F392 HydrophobicContact CD1-CB 4.48Å; L179-F392 HydrophobicContact CD1-CD1 3.55Å; L179-F392 HydrophobicContact CD1-CE1 4.04Å; L179-F392 HydrophobicContact CD1-CG 4.08Å; G182-F392 VanDerWaalsContact C-CE2 3.42Å; G182-F392 WeakPolarHBondContact O-CE2 3.3Å; I183-F392 HydrophobicContact CB-CD2 4.08Å; I183-F392 HydrophobicContact CB-CG 4.41Å; I183-F392 HydrophobicContact CD1-CB 4.06Å; I183-F392 HydrophobicContact CG1-CB 4.17Å; I183-F392 HydrophobicContact CG1-CD2 4Å; I183-F392 HydrophobicContact CG1-CG 4.24Å; F215-F392 HydrophobicContact CD1-CZ 4.33Å; F215-F392 HydrophobicContact CE1-CZ 4.46Å; G218-F392 CarbonylContact O-C 3.6Å; G218-F392 WeakPolarHBondContact O-CA 3.33Å; L220-F392 HydrophobicContact CB-CE1 3.82Å; L220-F392 HydrophobicContact CB-CZ 4.13Å; L220-F392 HydrophobicContact CD2-CE1 3.92Å; L220-F392 HydrophobicContact CG-CE1 4.03Å; R390-F392 PolarHBondContact O-N 2.96Å; R390-F392 VanDerWaalsContact O-N 3.16Å; F392-V394 HydrophobicContact CD1-CG2 4.03Å; F392-V394 HydrophobicContact CE1-CG2 4.41Å | ||
| 393 | S | 94.5 | Very high | 92 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.6 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | G218 K219 L220 | G218-S393 PolarHBondContact O-N 3.48Å; K219-S393 WeakPolarHBondContact CA-O 3.28Å; L220-S393 PolarHBondContact N-O 2.72Å |
| 394 | V | 96.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106.6 | 178.8 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | T175 L179 L220 F392 | T175-V394 HydrophobicContact CG2-CG1 3.49Å; T175-V394 VanDerWaalsContact CG2-CG1 3.49Å; L179-V394 HydrophobicContact CD1-CG2 3.84Å; L179-V394 HydrophobicContact CD2-CG2 4.34Å; L179-V394 HydrophobicContact CG-CG2 4.47Å; L220-V394 HydrophobicContact CD1-CG1 4.18Å; L220-V394 HydrophobicContact CD2-CG1 4.34Å; L220-V394 HydrophobicContact CD2-CG2 4.24Å; L220-V394 HydrophobicContact CG-CG1 4.21Å; L220-V394 HydrophobicContact CG-CG2 4.37Å; F392-V394 HydrophobicContact CD1-CG2 4.03Å; F392-V394 HydrophobicContact CE1-CG2 4.41Å |
| 395 | T | 97.2 | Very high | 92.4 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.1 | 169.9 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | L220 K221 V222 A425 | L220-T395 PolarHBondContact O-N 3.1Å; K221-T395 WeakPolarHBondContact CA-O 3.31Å; K221-T395 HydrophobicContact CG-CG2 4.18Å; V222-T395 PolarHBondContact N-O 3.16Å; T395-A425 HydrophobicContact CG2-CB 3.8Å |
| 396 | D | 97.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 178 | 176.9 | -143.1 | -46.5 | 0 | 0 | 0 | 110.7 | R169 N172 T175 A425 A426 | R169-D396 IonicContact NH2-OD2 2.69Å; N172-D396 PolarHBondContact ND2-OD1 2.83Å; N172-D396 PolarHBondContact ND2-OD2 2.86Å; T175-D396 WeakPolarHBondContact CB-OD2 3.28Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.16Å; T175-D396 VanDerWaalsContact OG1-CG 3.22Å; T175-D396 PolarHBondContact OG1-OD1 3.04Å; T175-D396 PolarHBondContact OG1-OD2 3.32Å; D396-A425 WeakPolarHBondContact O-CA 3.33Å; D396-A426 HydrophobicContact CB-CB 4.39Å; D396-A426 PolarHBondContact N-O 3.18Å; D396-A426 PolarHBondContact O-N 2.84Å |
| 397 | A | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V222 P399 H424 | V222-A397 HydrophobicContact CB-CB 3.95Å; V222-A397 HydrophobicContact CG1-CB 3.64Å; A397-P399 WeakPolarHBondContact O-CD 3.39Å; A397-H424 CarbonylContact C-O 3.57Å; A397-H424 WeakPolarHBondContact CA-O 3.31Å |
| 398 | V | 95.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 114.5 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 109 | F400 N423 H424 A426 V484 | V398-F400 WeakPolarHBondContact CG1-O 3.42Å; V398-N423 WeakPolarHBondContact O-CA 3.34Å; V398-N423 PolarHBondContact O-N 2.89Å; V398-H424 HydrophobicContact CB-CB 4.27Å; V398-H424 HydrophobicContact CG2-CB 4.28Å; V398-H424 WeakPolarHBondContact CG2-O 3.41Å; V398-H424 PolarHBondContact N-O 3.01Å; V398-A426 HydrophobicContact CG2-CB 4.06Å; V398-V484 HydrophobicContact CG2-CB 4.42Å; V398-V484 HydrophobicContact CG2-CG1 4.2Å; V398-V484 HydrophobicContact CG2-CG2 4.18Å |
| 399 | P | 92.8 | Very high | 91 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.6 | -33.7 | -174.3 | 30.1 | -36.1 | 0 | 0 | 0 | 113.1 | S146 T225 F227 A397 | S146-P399 WeakPolarHBondContact O-CG 3.11Å; T225-P399 HydrophobicContact CG2-CB 4.11Å; F227-P399 HydrophobicContact CE1-CB 4.43Å; A397-P399 WeakPolarHBondContact O-CD 3.39Å |
| 400 | F | 94.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -116 | 126 | -176.5 | -49.3 | -60.1 | 0 | 0 | 0 | 109.6 | F147 T149 F227 V398 Y446 G451 V452 P453 | F147-F400 HydrophobicContact CB-CZ 4.21Å; F147-F400 VanDerWaalsContact O-CE2 3.31Å; F147-F400 WeakPolarHBondContact O-CE2 3.43Å; F147-F400 VanDerWaalsContact O-CZ 3.29Å; F147-F400 WeakPolarHBondContact O-CZ 3.49Å; T149-F400 HydrophobicContact CG2-CE2 4.19Å; F227-F400 HydrophobicContact CE2-CE1 4.23Å; F227-F400 HydrophobicContact CE2-CZ 4.41Å; F227-F400 AromaticContact CZ-CE1 3.7Å; F227-F400 HydrophobicContact CZ-CE1 3.7Å; F227-F400 AromaticContact CZ-CZ 3.91Å; F227-F400 HydrophobicContact CZ-CZ 3.91Å; V398-F400 WeakPolarHBondContact CG1-O 3.42Å; F400-Y446 HydrophobicContact CB-CD1 3.47Å; F400-Y446 VanDerWaalsContact CB-CD1 3.47Å; F400-Y446 HydrophobicContact CB-CE1 3.68Å; F400-Y446 HydrophobicContact CB-CG 4.29Å; F400-Y446 HydrophobicContact CD2-CE1 4.1Å; F400-Y446 HydrophobicContact CG-CD1 4.36Å; F400-Y446 HydrophobicContact CG-CE1 4.3Å; F400-G451 VanDerWaalsContact CE1-O 3.31Å; F400-G451 WeakPolarHBondContact CE1-O 3.44Å; F400-V452 HydrophobicContact CB-CG2 4.24Å; F400-V452 HydrophobicContact CD1-CG2 3.77Å; F400-V452 HydrophobicContact CE1-CG2 4.24Å; F400-V452 HydrophobicContact CG-CG2 3.94Å; F400-P453 HydrophobicContact CZ-CG 4.41Å |
| 401 | P | 95.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -62.4 | 142.3 | 177.3 | 26.7 | -33.8 | 0 | 0 | 0 | 111.1 | E418 F420 Y446 S447 D448 | P401-E418 WeakPolarHBondContact CB-OE2 3.43Å; P401-F420 CarbonylContact C-O 3.52Å; P401-F420 WeakPolarHBondContact CA-O 3.29Å; P401-Y446 CarbonylContact O-C 3.57Å; P401-Y446 VanDerWaalsContact O-CA 3.26Å; P401-Y446 WeakPolarHBondContact O-CA 3.39Å; P401-S447 PolarHBondContact O-N 3.2Å; P401-D448 HydrophobicContact CG-CB 3.74Å | ||
| 402 | I | 97.1 | Very high | 86.3 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.9 | -176.5 | -58.3 | 174.1 | 0 | 0 | 0 | 110 | V419 F420 F445 Y446 I459 V484 F490 | I402-V419 PolarHBondContact O-N 3.19Å; I402-F420 HydrophobicContact CB-CB 4.47Å; I402-F420 HydrophobicContact CB-CD2 4.39Å; I402-F420 PolarHBondContact N-O 3.18Å; I402-F420 PolarHBondContact O-N 3.38Å; I402-F445 WeakPolarHBondContact CA-O 3.42Å; I402-Y446 HydrophobicContact CD1-CE1 4.45Å; I402-Y446 HydrophobicContact CG1-CD1 4.07Å; I402-Y446 HydrophobicContact CG1-CE1 4.07Å; I402-I459 HydrophobicContact CB-CD1 4.45Å; I402-I459 HydrophobicContact CD1-CD1 4.03Å; I402-I459 HydrophobicContact CG1-CD1 3.93Å; I402-I459 HydrophobicContact CG2-CD1 3.77Å; I402-V484 HydrophobicContact CD1-CG2 4.21Å; I402-F490 HydrophobicContact CD1-CB 4.31Å; I402-F490 HydrophobicContact CD1-CD2 4.3Å; I402-F490 HydrophobicContact CG2-CD2 3.85Å; I402-F490 HydrophobicContact CG2-CE2 4.05Å |
| 403 | S | 96.9 | Very high | 84.8 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 159.7 | 172.9 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | H417 E418 A444 F445 S447 | S403-H417 WeakPolarHBondContact CA-O 3.29Å; S403-E418 WeakPolarHBondContact OG-CA 3.48Å; S403-A444 WeakPolarHBondContact O-CA 3.43Å; S403-F445 VanDerWaalsContact CB-CZ 3.42Å; S403-F445 PolarHBondContact N-O 2.92Å; S403-F445 PolarHBondContact O-N 3.06Å; S403-F445 VanDerWaalsContact O-N 3.14Å; S403-S447 PolarHBondContact OG-OG 2.68Å |
| 404 | L | 96.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.8 | 164.6 | -77.6 | 171.3 | 0 | 0 | 0 | 109.9 | W406 V416 H417 V419 L432 L442 E443 A444 V482 F490 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.24Å; L404-V416 CarbonylContact O-C 3.56Å; L404-V416 WeakPolarHBondContact O-CA 2.96Å; L404-H417 PolarHBondContact N-O 3.08Å; L404-H417 PolarHBondContact O-N 3.24Å; L404-V419 HydrophobicContact CB-CG2 4.07Å; L404-V419 HydrophobicContact CD1-CG2 3.64Å; L404-V419 HydrophobicContact CG-CG2 3.65Å; L404-L432 HydrophobicContact CD1-CD1 3.62Å; L404-L442 HydrophobicContact CD2-CB 4.29Å; L404-E443 CarbonylContact C-O 3.53Å; L404-E443 VanDerWaalsContact CA-O 3.28Å; L404-E443 WeakPolarHBondContact CA-O 3.38Å; L404-E443 WeakPolarHBondContact CD2-O 2.8Å; L404-A444 HydrophobicContact CD2-CB 3.81Å; L404-V482 HydrophobicContact CD1-CG1 4.11Å; L404-F490 HydrophobicContact CD1-CZ 4.36Å; L404-F490 HydrophobicContact CD2-CE1 4.49Å; L404-F490 HydrophobicContact CD2-CZ 3.98Å; L404-F490 HydrophobicContact CG-CZ 4.31Å |
| 405 | V | 94.9 | Very high | 83.7 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.7 | 165.9 | 63 | 0 | 0 | 0 | 0 | 110.7 | E414 G415 V416 E443 F445 | V405-E414 HydrophobicContact CG2-CB 3.84Å; V405-E414 HydrophobicContact CG2-CG 4.27Å; V405-G415 CarbonylContact C-O 3.54Å; V405-G415 WeakPolarHBondContact CA-O 3.42Å; V405-V416 HydrophobicContact CB-CG2 4.11Å; V405-V416 HydrophobicContact CG2-CG2 3.8Å; V405-E443 HydrophobicContact CG1-CB 3.75Å; V405-E443 HydrophobicContact CG1-CG 4.12Å; V405-E443 PolarHBondContact N-O 2.88Å; V405-E443 PolarHBondContact O-N 2.86Å; V405-F445 HydrophobicContact CB-CE1 3.94Å; V405-F445 HydrophobicContact CG1-CD1 4.21Å; V405-F445 HydrophobicContact CG1-CE1 4.01Å |
| 406 | W | 92.6 | Very high | 83.4 | Confident | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 157.8 | 178.2 | 64.5 | 72.3 | 0 | 0 | 0 | 113.1 | L404 H408 G415 H417 F434 E441 L442 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.24Å; W406-H408 AromaticContact CD1-CD2 3.58Å; W406-H408 AromaticContact CD1-NE2 3.66Å; W406-H408 AromaticContact NE1-CD2 3.38Å; W406-H408 PolarHBondContact NE1-CD2 3.42Å; W406-H408 AromaticContact NE1-NE2 2.94Å; W406-H408 PolarHBondContact NE1-NE2 3.33Å; W406-G415 PolarHBondContact N-O 3.4Å; W406-G415 PolarHBondContact O-N 2.89Å; W406-H417 HydrophobicContact CH2-CB 3.63Å; W406-H417 HydrophobicContact CZ3-CB 3.85Å; W406-F434 HydrophobicContact CD2-CD1 4.33Å; W406-F434 AromaticContact CD2-CE1 3.59Å; W406-F434 HydrophobicContact CD2-CE1 3.59Å; W406-F434 HydrophobicContact CD2-CZ 4.4Å; W406-F434 AromaticContact CE2-CE1 3.71Å; W406-F434 AromaticContact CE3-CE1 3.64Å; W406-F434 HydrophobicContact CE3-CE1 3.64Å; W406-F434 HydrophobicContact CE3-CZ 4.06Å; W406-F434 HydrophobicContact CG-CE1 4.25Å; W406-F434 AromaticContact CH2-CE1 3.93Å; W406-F434 HydrophobicContact CH2-CE1 3.93Å; W406-F434 AromaticContact CZ2-CE1 3.9Å; W406-F434 HydrophobicContact CZ2-CE1 3.9Å; W406-F434 AromaticContact CZ3-CE1 3.82Å; W406-F434 HydrophobicContact CZ3-CE1 3.82Å; W406-F434 HydrophobicContact CZ3-CZ 4.17Å; W406-E441 WeakPolarHBondContact CB-O 3.35Å; W406-L442 HydrophobicContact CB-CD2 3.77Å; W406-L442 HydrophobicContact CD2-CD2 4.44Å; W406-L442 HydrophobicContact CE3-CD2 4.13Å; W406-L442 HydrophobicContact CG-CD2 4.34Å |
| 407 | N | 83.5 | Confident | 83.3 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | trans | -86.2 | 149.2 | 176.5 | -59.5 | -0.4 | 0 | 0 | 0 | 111.3 | R436 | N407-R436 PolarHBondContact O-NH2 3.47Š| ||
| 408 | H | 73.6 | Confident | 83.3 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 39% | 0.389 | 31% | 0.312 | S | S | . | . | trans | -97.4 | 144.9 | 172.6 | -85.9 | -118.3 | 0 | 0 | 0 | 111.4 | W406 S410 | W406-H408 AromaticContact CD1-CD2 3.58Å; W406-H408 AromaticContact CD1-NE2 3.66Å; W406-H408 AromaticContact NE1-CD2 3.38Å; W406-H408 PolarHBondContact NE1-CD2 3.42Å; W406-H408 AromaticContact NE1-NE2 2.94Å; W406-H408 PolarHBondContact NE1-NE2 3.33Å; H408-S410 PolarHBondContact O-N 3.02Å | ||
| 409 | D | 60.8 | Low | 83.4 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 1.8 | -176.5 | -46.8 | -35.7 | 0 | 0 | 0 | 115.2 | R436 K475 | D409-R436 WeakPolarHBondContact OD1-CD 3.38Å; D409-K475 WeakPolarHBondContact OD2-CD 3.32Å; D409-K475 WeakPolarHBondContact OD2-CE 3.46Å; D409-K475 IonicContact OD2-NZ 2.66Å; D409-K475 PolarHBondContact OD2-NZ 3.42Å |
| 410 | S | 56.1 | Low | 83.6 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.6 | 0.7 | -161.8 | 54.7 | 0 | 0 | 0 | 0 | 117.7 | H408 | H408-S410 PolarHBondContact O-N 3.02Š|
| 411 | E | 51.5 | Low | 83.6 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -147.2 | 158.6 | 180 | -73.1 | -177.4 | -166.6 | 0 | 0 | 110.7 | T413 | E411-T413 HydrophobicContact CB-CG2 4.47Å; E411-T413 WeakPolarHBondContact CB-OG1 3.4Å; E411-T413 PolarHBondContact O-N 2.96Å; E411-T413 PolarHBondContact OE2-OG1 3.36Å |
| 412 | E | 55.6 | Low | 83.6 | Confident | 208 Ų | 208 | 64.4 Ų | 64.4 | 97% | 0.972 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -74 | 19.2 | 172.3 | -58.8 | -177.3 | 144.2 | 0 | 0 | 112.9 | ||
| 413 | T | 63.1 | Low | 83.5 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | trans | -104.3 | 117.7 | -173.9 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | E411 | E411-T413 HydrophobicContact CB-CG2 4.47Å; E411-T413 WeakPolarHBondContact CB-OG1 3.4Å; E411-T413 PolarHBondContact O-N 2.96Å; E411-T413 PolarHBondContact OE2-OG1 3.36Å | ||
| 414 | E | 80.9 | Confident | 83.4 | Confident | 138 Ų | 138 | 67.4 Ų | 67.4 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | trans | -74.6 | 132.1 | 172.4 | -68.1 | -177 | 170.6 | 0 | 0 | 110.6 | V405 | V405-E414 HydrophobicContact CG2-CB 3.84Å; V405-E414 HydrophobicContact CG2-CG 4.27Å | ||
| 415 | G | 85.9 | Confident | 83.4 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | V405 W406 | V405-G415 CarbonylContact C-O 3.54Å; V405-G415 WeakPolarHBondContact CA-O 3.42Å; W406-G415 PolarHBondContact N-O 3.4Å; W406-G415 PolarHBondContact O-N 2.89Å |
| 416 | V | 92.6 | Very high | 83.4 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.9 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | L404 V405 F445 | L404-V416 CarbonylContact O-C 3.56Å; L404-V416 WeakPolarHBondContact O-CA 2.96Å; V405-V416 HydrophobicContact CB-CG2 4.11Å; V405-V416 HydrophobicContact CG2-CG2 3.8Å; V416-F445 HydrophobicContact CG1-CE1 4.46Å; V416-F445 HydrophobicContact CG1-CZ 3.98Å |
| 417 | H | 94.3 | Very high | 83.6 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 129.1 | 174.6 | 179.5 | 67.8 | 0 | 0 | 0 | 112.8 | S403 L404 W406 V419 K430 | S403-H417 WeakPolarHBondContact CA-O 3.29Å; L404-H417 PolarHBondContact N-O 3.08Å; L404-H417 PolarHBondContact O-N 3.24Å; W406-H417 HydrophobicContact CH2-CB 3.63Å; W406-H417 HydrophobicContact CZ3-CB 3.85Å; H417-V419 PolarHBondContact O-N 3.32Å; H417-K430 PolarHBondContact NE2-NZ 2.96Å |
| 418 | E | 95.9 | Very high | 84.3 | Confident | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 118.8 | 170.7 | -174.6 | 161.2 | 104.2 | 0 | 0 | 110.9 | P401 S403 S421 K430 S447 | P401-E418 WeakPolarHBondContact CB-OE2 3.43Å; S403-E418 WeakPolarHBondContact OG-CA 3.48Å; E418-S421 VanDerWaalsContact OE1-CA 3.25Å; E418-S421 WeakPolarHBondContact OE1-CA 3.38Å; E418-S421 WeakPolarHBondContact OE1-CB 3.44Å; E418-K430 PolarHBondContact O-NZ 3.12Å; E418-S447 VanDerWaalsContact OE2-CB 3.29Å; E418-S447 WeakPolarHBondContact OE2-CB 3.47Å; E418-S447 PolarHBondContact OE2-OG 2.77Å |
| 419 | V | 96.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -53.3 | -178.1 | -172 | 0 | 0 | 0 | 0 | 109.6 | I402 L404 H417 K430 L432 V482 | I402-V419 PolarHBondContact O-N 3.19Å; L404-V419 HydrophobicContact CB-CG2 4.07Å; L404-V419 HydrophobicContact CD1-CG2 3.64Å; L404-V419 HydrophobicContact CG-CG2 3.65Å; H417-V419 PolarHBondContact O-N 3.32Å; V419-K430 HydrophobicContact CG1-CB 4.16Å; V419-K430 HydrophobicContact CG1-CD 3.76Å; V419-K430 VanDerWaalsContact O-CD 3.29Å; V419-K430 WeakPolarHBondContact O-CD 3.47Å; V419-K430 PolarHBondContact O-NZ 3.14Å; V419-L432 HydrophobicContact CG2-CD1 4.3Å; V419-V482 HydrophobicContact CG1-CB 4.49Å; V419-V482 HydrophobicContact CG1-CG2 3.36Å |
| 420 | F | 97.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.7 | -177.5 | -56.6 | -81.6 | 0 | 0 | 0 | 108.7 | P401 I402 H424 F428 V484 F490 | P401-F420 CarbonylContact C-O 3.52Å; P401-F420 WeakPolarHBondContact CA-O 3.29Å; I402-F420 HydrophobicContact CB-CB 4.47Å; I402-F420 HydrophobicContact CB-CD2 4.39Å; I402-F420 PolarHBondContact N-O 3.18Å; I402-F420 PolarHBondContact O-N 3.38Å; F420-H424 HydrophobicContact CB-CB 4.41Å; F420-H424 AromaticContact CD1-CD2 3.79Å; F420-F428 HydrophobicContact CE1-CB 4.27Å; F420-F428 HydrophobicContact CE1-CD1 4.03Å; F420-V484 HydrophobicContact CD1-CG2 4.07Å; F420-V484 HydrophobicContact CD2-CG2 3.69Å; F420-V484 HydrophobicContact CE1-CG2 4.13Å; F420-V484 HydrophobicContact CE2-CG2 3.77Å; F420-V484 HydrophobicContact CG-CG2 3.87Å; F420-V484 HydrophobicContact CZ-CG2 4Å; F420-F490 HydrophobicContact CD2-CD2 4.2Å; F420-F490 HydrophobicContact CD2-CE2 4.26Å; F420-F490 AromaticContact CE2-CD2 3.86Å; F420-F490 HydrophobicContact CE2-CD2 3.86Å; F420-F490 AromaticContact CE2-CE2 3.8Å; F420-F490 HydrophobicContact CE2-CE2 3.8Å |
| 421 | S | 95.6 | Very high | 89 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | trans | -76.3 | 169.2 | 178.8 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | E418 N423 H424 | E418-S421 VanDerWaalsContact OE1-CA 3.25Å; E418-S421 WeakPolarHBondContact OE1-CA 3.38Å; E418-S421 WeakPolarHBondContact OE1-CB 3.44Å; S421-N423 PolarHBondContact O-N 2.98Å; S421-H424 WeakPolarHBondContact O-CB 3.44Å; S421-H424 PolarHBondContact O-N 3.36Å; S421-H424 PolarHBondContact OG-ND1 2.88Å | ||
| 422 | R | 94.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 139.5 | 163.1 | -172.9 | 179.6 | -82.1 | -104.2 | 5.8 | 109.2 | H424 D448 | R422-H424 PolarHBondContact O-N 3.48Å; R422-H424 VanDerWaalsContact O-N 3.13Å; R422-D448 IonicContact CZ-OD2 3.6Å; R422-D448 IonicContact NH2-OD2 3.47Å; R422-D448 PolarHBondContact NH2-OD2 3.27Å |
| 423 | N | 94.8 | Very high | 92.9 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 20.3 | -175.7 | -56.8 | -39.7 | 0 | 0 | 0 | 115.7 | G224 Q327 V398 S421 | G224-N423 VanDerWaalsContact CA-OD1 3.27Å; G224-N423 WeakPolarHBondContact CA-OD1 3.46Å; Q327-N423 PolarHBondContact OE1-ND2 2.97Å; V398-N423 WeakPolarHBondContact O-CA 3.34Å; V398-N423 PolarHBondContact O-N 2.89Å; S421-N423 PolarHBondContact O-N 2.98Å |
| 424 | H | 96.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 143.7 | 172.7 | -158.8 | 94.9 | 0 | 0 | 0 | 110.7 | A397 V398 F420 S421 R422 F428 | A397-H424 CarbonylContact C-O 3.57Å; A397-H424 WeakPolarHBondContact CA-O 3.31Å; V398-H424 HydrophobicContact CB-CB 4.27Å; V398-H424 HydrophobicContact CG2-CB 4.28Å; V398-H424 WeakPolarHBondContact CG2-O 3.41Å; V398-H424 PolarHBondContact N-O 3.01Å; F420-H424 HydrophobicContact CB-CB 4.41Å; F420-H424 AromaticContact CD1-CD2 3.79Å; S421-H424 WeakPolarHBondContact O-CB 3.44Å; S421-H424 PolarHBondContact O-N 3.36Å; S421-H424 PolarHBondContact OG-ND1 2.88Å; R422-H424 PolarHBondContact O-N 3.48Å; R422-H424 VanDerWaalsContact O-N 3.13Å; H424-F428 AromaticContact NE2-CD1 3.25Å; H424-F428 VanDerWaalsContact NE2-CD1 3.25Å; H424-F428 WeakPolarHBondContact NE2-CD1 3.36Å; H424-F428 AromaticContact NE2-CE1 3.67Å; H424-F428 AromaticContact NE2-CG 3.77Å |
| 425 | A | 96.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 138.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T395 D396 F428 | T395-A425 HydrophobicContact CG2-CB 3.8Å; D396-A425 WeakPolarHBondContact O-CA 3.33Å; A425-F428 VanDerWaalsContact O-CB 3.23Å; A425-F428 WeakPolarHBondContact O-CB 3.43Å |
| 426 | A | 95 | Very high | 94.9 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D396 V398 V484 | D396-A426 HydrophobicContact CB-CB 4.39Å; D396-A426 PolarHBondContact N-O 3.18Å; D396-A426 PolarHBondContact O-N 2.84Å; V398-A426 HydrophobicContact CG2-CB 4.06Å; A426-V484 HydrophobicContact CB-CG1 4.19Å |
| 427 | P | 96.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | S | Bend | cis | -75.5 | 146.3 | -3 | 32.8 | -37.3 | 0 | 0 | 0 | 112.9 | V484 T486 | P427-V484 WeakPolarHBondContact CA-O 3.13Å; P427-V484 WeakPolarHBondContact CB-O 3.47Å; P427-T486 HydrophobicContact CG-CG2 4.27Å |
| 428 | F | 97.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 164.8 | 177.5 | -166.7 | -103.4 | 0 | 0 | 0 | 112.1 | F420 H424 A425 R483 V484 | F420-F428 HydrophobicContact CE1-CB 4.27Å; F420-F428 HydrophobicContact CE1-CD1 4.03Å; H424-F428 AromaticContact NE2-CD1 3.25Å; H424-F428 VanDerWaalsContact NE2-CD1 3.25Å; H424-F428 WeakPolarHBondContact NE2-CD1 3.36Å; H424-F428 AromaticContact NE2-CE1 3.67Å; H424-F428 AromaticContact NE2-CG 3.77Å; A425-F428 VanDerWaalsContact O-CB 3.23Å; A425-F428 WeakPolarHBondContact O-CB 3.43Å; F428-R483 WeakPolarHBondContact O-CA 3.33Å; F428-V484 PolarHBondContact N-O 3.36Å; F428-V484 VanDerWaalsContact N-O 3.1Å; F428-V484 PolarHBondContact O-N 2.81Å; F428-V484 VanDerWaalsContact O-N 3.11Å |
| 429 | S | 97.4 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 130.8 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | V482 R483 | S429-V482 CarbonylContact C-O 3.48Å; S429-V482 VanDerWaalsContact CA-O 3.23Å; S429-V482 WeakPolarHBondContact CA-O 3.23Å; S429-R483 WeakPolarHBondContact OG-CB 3.42Å; S429-R483 WeakPolarHBondContact OG-CG 3.25Å; S429-R483 PolarHBondContact OG-NE 3.41Å |
| 430 | K | 96.3 | Very high | 94 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.4 | -178.6 | -159.7 | 178.5 | -166.7 | 176.7 | 0 | 108.2 | H417 E418 V419 L432 V482 | H417-K430 PolarHBondContact NE2-NZ 2.96Å; E418-K430 PolarHBondContact O-NZ 3.12Å; V419-K430 HydrophobicContact CG1-CB 4.16Å; V419-K430 HydrophobicContact CG1-CD 3.76Å; V419-K430 VanDerWaalsContact O-CD 3.29Å; V419-K430 WeakPolarHBondContact O-CD 3.47Å; V419-K430 PolarHBondContact O-NZ 3.14Å; K430-L432 HydrophobicContact CD-CD2 4.23Å; K430-L432 HydrophobicContact CG-CD2 4.34Å; K430-V482 HydrophobicContact CB-CG2 4.16Å; K430-V482 PolarHBondContact N-O 3.48Å; K430-V482 WeakPolarHBondContact O-CG2 3.46Å; K430-V482 PolarHBondContact O-N 3.27Å |
| 431 | V | 96.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.3 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | K479 K481 | V431-K479 HydrophobicContact CG1-CB 4.2Å; V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.02Å |
| 432 | L | 94.9 | Very high | 93.9 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 155.2 | 172.2 | -56.9 | -179.9 | 0 | 0 | 0 | 109.4 | L404 V419 K430 F434 K479 V480 V482 | L404-L432 HydrophobicContact CD1-CD1 3.62Å; V419-L432 HydrophobicContact CG2-CD1 4.3Å; K430-L432 HydrophobicContact CD-CD2 4.23Å; K430-L432 HydrophobicContact CG-CD2 4.34Å; L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 3.82Å; L432-F434 HydrophobicContact CD1-CZ 4.03Å; L432-K479 WeakPolarHBondContact O-CA 3.23Å; L432-V480 PolarHBondContact N-O 2.78Å; L432-V480 PolarHBondContact O-N 3.33Å; L432-V482 HydrophobicContact CD1-CG2 4.25Å; L432-V482 HydrophobicContact CG-CG2 4.36Å |
| 433 | T | 94.3 | Very high | 94 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.6 | -179 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | K477 V478 | T433-K477 HydrophobicContact CG2-CD 4.24Å; T433-K477 VanDerWaalsContact CG2-CE 3.45Å; T433-K477 HydrophobicContact CG2-CG 3.72Å; T433-V478 WeakPolarHBondContact CA-O 3.49Å |
| 434 | F | 91.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152 | 179.1 | -56.1 | -76.9 | 0 | 0 | 0 | 110.3 | W406 L432 R436 F440 L442 V478 V480 | W406-F434 HydrophobicContact CD2-CD1 4.33Å; W406-F434 AromaticContact CD2-CE1 3.59Å; W406-F434 HydrophobicContact CD2-CE1 3.59Å; W406-F434 HydrophobicContact CD2-CZ 4.4Å; W406-F434 AromaticContact CE2-CE1 3.71Å; W406-F434 AromaticContact CE3-CE1 3.64Å; W406-F434 HydrophobicContact CE3-CE1 3.64Å; W406-F434 HydrophobicContact CE3-CZ 4.06Å; W406-F434 HydrophobicContact CG-CE1 4.25Å; W406-F434 AromaticContact CH2-CE1 3.93Å; W406-F434 HydrophobicContact CH2-CE1 3.93Å; W406-F434 AromaticContact CZ2-CE1 3.9Å; W406-F434 HydrophobicContact CZ2-CE1 3.9Å; W406-F434 AromaticContact CZ3-CE1 3.82Å; W406-F434 HydrophobicContact CZ3-CE1 3.82Å; W406-F434 HydrophobicContact CZ3-CZ 4.17Å; L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 3.82Å; L432-F434 HydrophobicContact CD1-CZ 4.03Å; F434-R436 HydrophobicContact CB-CG 4.24Å; F434-F440 HydrophobicContact CB-CE2 4.27Å; F434-F440 HydrophobicContact CB-CZ 4.06Å; F434-F440 HydrophobicContact CD1-CE2 4.47Å; F434-F440 AromaticContact CD2-CE2 3.85Å; F434-F440 HydrophobicContact CD2-CE2 3.85Å; F434-F440 AromaticContact CD2-CZ 3.74Å; F434-F440 HydrophobicContact CD2-CZ 3.74Å; F434-F440 HydrophobicContact CE2-CE2 4.31Å; F434-F440 HydrophobicContact CE2-CZ 4.48Å; F434-F440 AromaticContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CZ 4.01Å; F434-L442 HydrophobicContact CE1-CD2 4.17Å; F434-L442 HydrophobicContact CE2-CD1 4.07Å; F434-L442 HydrophobicContact CE2-CD2 4.06Å; F434-L442 HydrophobicContact CZ-CD1 4.42Å; F434-L442 HydrophobicContact CZ-CD2 3.7Å; F434-V478 PolarHBondContact N-O 2.91Å; F434-V478 PolarHBondContact O-N 3.16Å; F434-V480 HydrophobicContact CD2-CB 4.33Å; F434-V480 HydrophobicContact CD2-CG2 3.76Å; F434-V480 HydrophobicContact CE2-CB 3.97Å; F434-V480 HydrophobicContact CE2-CG2 3.83Å |
| 435 | L | 90.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.4 | 170.1 | -65.3 | 175.9 | 0 | 0 | 0 | 107.3 | K475 S476 K477 | L435-K475 HydrophobicContact CB-CB 3.94Å; L435-K475 HydrophobicContact CB-CD 4.06Å; L435-S476 WeakPolarHBondContact CA-O 3.35Å; L435-K477 HydrophobicContact CD2-CB 4.05Å; L435-K477 HydrophobicContact CD2-CG 4.3Å |
| 436 | R | 89.4 | Confident | 94 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.9 | -170.8 | -66.7 | -67.9 | -174.8 | -103.1 | 2.2 | 111.9 | N407 D409 F434 F440 V467 K475 S476 | N407-R436 PolarHBondContact O-NH2 3.47Å; D409-R436 WeakPolarHBondContact OD1-CD 3.38Å; F434-R436 HydrophobicContact CB-CG 4.24Å; R436-F440 HydrophobicContact CB-CD1 4.3Å; R436-F440 HydrophobicContact CG-CB 4.37Å; R436-F440 HydrophobicContact CG-CD1 3.6Å; R436-F440 HydrophobicContact CG-CD2 4.38Å; R436-F440 HydrophobicContact CG-CE1 3.87Å; R436-F440 HydrophobicContact CG-CG 3.87Å; R436-F440 HydrophobicContact CG-CZ 4.36Å; R436-V467 HydrophobicContact CB-CG1 4.01Å; R436-K475 CarbonylContact O-C 3.47Å; R436-K475 WeakPolarHBondContact O-CA 3.36Å; R436-S476 PolarHBondContact N-O 3.18Å; R436-S476 VanDerWaalsContact N-O 3.12Å; R436-S476 PolarHBondContact O-N 3Å |
| 437 | R | 86.8 | Confident | 94 | Very high | 150 Ų | 150 | 48.8 Ų | 48.8 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -102.9 | -18.4 | 171.1 | -67.9 | -168.5 | 156.8 | 147.9 | -6.1 | 114.7 | S468 A469 G473 K475 | R437-S468 CarbonylContact O-C 3.47Å; R437-A469 PolarHBondContact O-N 2.87Å; R437-G473 PolarHBondContact NE-O 3.49Å; R437-G473 PolarHBondContact NH2-O 3.31Å; R437-G473 VanDerWaalsContact NH2-O 3.13Å; R437-K475 HydrophobicContact CG-CG 3.91Å |
| 438 | G | 89.1 | Confident | 93.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -153 | -177.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V467 | G438-V467 WeakPolarHBondContact CA-O 3.44Å; G438-V467 WeakPolarHBondContact O-CB 3.41Å; G438-V467 WeakPolarHBondContact O-CG1 3.41Å |
| 439 | P | 91.9 | Very high | 93 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | trans | -53.5 | 144.7 | 175.6 | -26.9 | 36.7 | 0 | 0 | 0 | 111.8 | V464 V467 | P439-V464 VanDerWaalsContact CA-O 3.29Å; P439-V464 WeakPolarHBondContact CA-O 3Å; P439-V464 WeakPolarHBondContact CB-O 3.3Å; P439-V467 WeakPolarHBondContact CD-O 3.41Å | ||
| 440 | F | 92.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.5 | -175.8 | 73.1 | -76.8 | 0 | 0 | 0 | 112.5 | F434 R436 L442 V464 V467 V478 V480 | F434-F440 HydrophobicContact CB-CE2 4.27Å; F434-F440 HydrophobicContact CB-CZ 4.06Å; F434-F440 HydrophobicContact CD1-CE2 4.47Å; F434-F440 AromaticContact CD2-CE2 3.85Å; F434-F440 HydrophobicContact CD2-CE2 3.85Å; F434-F440 AromaticContact CD2-CZ 3.74Å; F434-F440 HydrophobicContact CD2-CZ 3.74Å; F434-F440 HydrophobicContact CE2-CE2 4.31Å; F434-F440 HydrophobicContact CE2-CZ 4.48Å; F434-F440 AromaticContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CE2 3.93Å; F434-F440 HydrophobicContact CG-CZ 4.01Å; R436-F440 HydrophobicContact CB-CD1 4.3Å; R436-F440 HydrophobicContact CG-CB 4.37Å; R436-F440 HydrophobicContact CG-CD1 3.6Å; R436-F440 HydrophobicContact CG-CD2 4.38Å; R436-F440 HydrophobicContact CG-CE1 3.87Å; R436-F440 HydrophobicContact CG-CG 3.87Å; R436-F440 HydrophobicContact CG-CZ 4.36Å; F440-L442 HydrophobicContact CD2-CD2 4.27Å; F440-L442 HydrophobicContact CD2-CG 4.28Å; F440-L442 HydrophobicContact CE2-CD1 4.14Å; F440-L442 HydrophobicContact CE2-CD2 3.79Å; F440-L442 HydrophobicContact CE2-CG 3.81Å; F440-V464 HydrophobicContact CD1-CB 4.02Å; F440-V464 HydrophobicContact CE1-CB 3.7Å; F440-V464 HydrophobicContact CE1-CG1 3.93Å; F440-V464 HydrophobicContact CE1-CG2 4.03Å; F440-V464 HydrophobicContact CE2-CG2 4.4Å; F440-V464 HydrophobicContact CZ-CB 4.14Å; F440-V464 HydrophobicContact CZ-CG2 3.93Å; F440-V464 PolarHBondContact N-O 3.17Å; F440-V464 PolarHBondContact O-N 3.37Å; F440-V467 HydrophobicContact CD1-CG2 4.2Å; F440-V467 HydrophobicContact CE1-CG2 4.14Å; F440-V478 HydrophobicContact CE1-CB 4.3Å; F440-V478 HydrophobicContact CE1-CG1 4.08Å; F440-V478 HydrophobicContact CE1-CG2 4.38Å; F440-V478 HydrophobicContact CZ-CG1 4.3Å; F440-V480 HydrophobicContact CZ-CG2 4.15Å |
| 441 | E | 94.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 144.9 | -175.3 | -172.6 | 165.2 | 161.5 | 0 | 0 | 111.6 | W406 R461 F462 | W406-E441 WeakPolarHBondContact CB-O 3.35Å; E441-R461 HydrophobicContact CG-CG 4.12Å; E441-R461 WeakPolarHBondContact OE1-CD 3.47Å; E441-R461 VanDerWaalsContact OE1-CG 3.31Å; E441-R461 WeakPolarHBondContact OE1-CG 3.27Å; E441-R461 IonicContact OE1-CZ 3.08Å; E441-R461 IonicContact OE1-NE 3.12Å; E441-R461 PolarHBondContact OE1-NE 2.86Å; E441-R461 IonicContact OE1-NH2 2.75Å; E441-R461 IonicContact OE2-CZ 3.29Å; E441-R461 VanDerWaalsContact OE2-CZ 3.29Å; E441-R461 IonicContact OE2-NE 3.5Å; E441-R461 PolarHBondContact OE2-NE 2.93Å; E441-R461 VanDerWaalsContact OE2-NE 3.11Å; E441-R461 IonicContact OE2-NH2 2.77Å; E441-R461 PolarHBondContact OE2-NH2 3.07Å; E441-F462 WeakPolarHBondContact CA-O 3.4Å |
| 442 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 120.9 | 170.5 | -67.7 | 178.6 | 0 | 0 | 0 | 107.6 | L404 W406 F434 F440 F462 V464 V480 I492 | L404-L442 HydrophobicContact CD2-CB 4.29Å; W406-L442 HydrophobicContact CB-CD2 3.77Å; W406-L442 HydrophobicContact CD2-CD2 4.44Å; W406-L442 HydrophobicContact CE3-CD2 4.13Å; W406-L442 HydrophobicContact CG-CD2 4.34Å; F434-L442 HydrophobicContact CE1-CD2 4.17Å; F434-L442 HydrophobicContact CE2-CD1 4.07Å; F434-L442 HydrophobicContact CE2-CD2 4.06Å; F434-L442 HydrophobicContact CZ-CD1 4.42Å; F434-L442 HydrophobicContact CZ-CD2 3.7Å; F440-L442 HydrophobicContact CD2-CD2 4.27Å; F440-L442 HydrophobicContact CD2-CG 4.28Å; F440-L442 HydrophobicContact CE2-CD1 4.14Å; F440-L442 HydrophobicContact CE2-CD2 3.79Å; F440-L442 HydrophobicContact CE2-CG 3.81Å; L442-F462 HydrophobicContact CB-CB 4.39Å; L442-F462 PolarHBondContact N-O 3.44Å; L442-F462 PolarHBondContact O-N 2.84Å; L442-V464 HydrophobicContact CD1-CG2 4.31Å; L442-V480 HydrophobicContact CD1-CB 4.43Å; L442-V480 HydrophobicContact CD1-CG1 3.87Å; L442-V480 HydrophobicContact CD1-CG2 4.29Å; L442-I492 HydrophobicContact CB-CD1 4.34Å; L442-I492 HydrophobicContact CD1-CD1 3.69Å |
| 443 | E | 96.3 | Very high | 90.8 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128 | 176 | 171.4 | 160.1 | 159.3 | 0 | 0 | 110.6 | L404 V405 K458 | L404-E443 CarbonylContact C-O 3.53Å; L404-E443 VanDerWaalsContact CA-O 3.28Å; L404-E443 WeakPolarHBondContact CA-O 3.38Å; L404-E443 WeakPolarHBondContact CD2-O 2.8Å; V405-E443 HydrophobicContact CG1-CB 3.75Å; V405-E443 HydrophobicContact CG1-CG 4.12Å; V405-E443 PolarHBondContact N-O 2.88Å; V405-E443 PolarHBondContact O-N 2.86Å; E443-K458 HydrophobicContact CG-CG 4.46Å; E443-K458 WeakPolarHBondContact OE1-CD 3.4Å; E443-K458 WeakPolarHBondContact OE1-CE 3.37Å; E443-K458 IonicContact OE1-NZ 3.79Å; E443-K458 PolarHBondContact OE1-NZ 3.48Å; E443-K458 VanDerWaalsContact OE2-CE 3.31Å; E443-K458 WeakPolarHBondContact OE2-CE 3.19Å; E443-K458 IonicContact OE2-NZ 3.54Å; E443-K458 PolarHBondContact OE2-NZ 3.14Å |
| 444 | A | 96.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S403 L404 I459 G460 F462 F490 | S403-A444 WeakPolarHBondContact O-CA 3.43Å; L404-A444 HydrophobicContact CD2-CB 3.81Å; A444-I459 HydrophobicContact CB-CB 4.07Å; A444-I459 HydrophobicContact CB-CD1 4.47Å; A444-I459 HydrophobicContact CB-CG2 4.43Å; A444-I459 WeakPolarHBondContact O-CB 3.42Å; A444-I459 PolarHBondContact O-N 2.89Å; A444-G460 PolarHBondContact N-O 2.91Å; A444-G460 PolarHBondContact O-N 2.65Å; A444-F462 HydrophobicContact CB-CE2 3.97Å; A444-F490 HydrophobicContact CB-CD1 3.95Å; A444-F490 HydrophobicContact CB-CE1 3.69Å; A444-F490 HydrophobicContact CB-CZ 4.06Å |
| 445 | F | 96 | Very high | 89.6 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.3 | -178.4 | 68.2 | -81 | 0 | 0 | 0 | 111.2 | I402 S403 V405 V416 A457 | I402-F445 WeakPolarHBondContact CA-O 3.42Å; S403-F445 VanDerWaalsContact CB-CZ 3.42Å; S403-F445 PolarHBondContact N-O 2.92Å; S403-F445 PolarHBondContact O-N 3.06Å; S403-F445 VanDerWaalsContact O-N 3.14Å; V405-F445 HydrophobicContact CB-CE1 3.94Å; V405-F445 HydrophobicContact CG1-CD1 4.21Å; V405-F445 HydrophobicContact CG1-CE1 4.01Å; V416-F445 HydrophobicContact CG1-CE1 4.46Å; V416-F445 HydrophobicContact CG1-CZ 3.98Å; F445-A457 CarbonylContact C-O 3.53Å; F445-A457 VanDerWaalsContact CA-O 3.24Å; F445-A457 WeakPolarHBondContact CA-O 3.48Å; F445-A457 WeakPolarHBondContact CB-O 3.31Å |
| 446 | Y | 96.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.4 | 175.8 | -64.3 | -62.1 | 0 | 0 | 0 | 111.5 | T149 D150 F400 P401 I402 D448 V452 A457 I459 | T149-Y446 HydrophobicContact CG2-CE2 4.19Å; D150-Y446 WeakPolarHBondContact CB-OH 3.26Å; D150-Y446 PolarHBondContact N-OH 3.25Å; F400-Y446 HydrophobicContact CB-CD1 3.47Å; F400-Y446 VanDerWaalsContact CB-CD1 3.47Å; F400-Y446 HydrophobicContact CB-CE1 3.68Å; F400-Y446 HydrophobicContact CB-CG 4.29Å; F400-Y446 HydrophobicContact CD2-CE1 4.1Å; F400-Y446 HydrophobicContact CG-CD1 4.36Å; F400-Y446 HydrophobicContact CG-CE1 4.3Å; P401-Y446 CarbonylContact O-C 3.57Å; P401-Y446 VanDerWaalsContact O-CA 3.26Å; P401-Y446 WeakPolarHBondContact O-CA 3.39Å; I402-Y446 HydrophobicContact CD1-CE1 4.45Å; I402-Y446 HydrophobicContact CG1-CD1 4.07Å; I402-Y446 HydrophobicContact CG1-CE1 4.07Å; Y446-D448 PolarHBondContact O-N 3Å; Y446-D448 VanDerWaalsContact O-N 3.14Å; Y446-V452 HydrophobicContact CD1-CG2 4.49Å; Y446-V452 HydrophobicContact CD2-CG1 4.38Å; Y446-V452 HydrophobicContact CD2-CG2 3.92Å; Y446-V452 HydrophobicContact CG-CG2 3.85Å; Y446-A457 WeakPolarHBondContact CD2-O 3.4Å; Y446-A457 PolarHBondContact N-O 2.78Å; Y446-I459 HydrophobicContact CD1-CD1 4.02Å; Y446-I459 HydrophobicContact CD2-CG1 4.29Å; Y446-I459 HydrophobicContact CE1-CD1 3.72Å; Y446-I459 HydrophobicContact CE1-CG1 4.16Å; Y446-I459 HydrophobicContact CE2-CD1 4.33Å; Y446-I459 HydrophobicContact CE2-CG1 3.87Å; Y446-I459 HydrophobicContact CG-CD1 4.45Å |
| 447 | S | 93.4 | Very high | 89.4 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -64 | -19 | -179 | -43.7 | 0 | 0 | 0 | 0 | 113.4 | P401 S403 E418 | P401-S447 PolarHBondContact O-N 3.2Å; S403-S447 PolarHBondContact OG-OG 2.68Å; E418-S447 VanDerWaalsContact OE2-CB 3.29Å; E418-S447 WeakPolarHBondContact OE2-CB 3.47Å; E418-S447 PolarHBondContact OE2-OG 2.77Å |
| 448 | D | 89.9 | Confident | 89.7 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | trans | -128.8 | 82.9 | -175.9 | 173.3 | 11.6 | 0 | 0 | 0 | 109.9 | P401 R422 Y446 Q450 G451 | P401-D448 HydrophobicContact CG-CB 3.74Å; R422-D448 IonicContact CZ-OD2 3.6Å; R422-D448 IonicContact NH2-OD2 3.47Å; R422-D448 PolarHBondContact NH2-OD2 3.27Å; Y446-D448 PolarHBondContact O-N 3Å; Y446-D448 VanDerWaalsContact O-N 3.14Å; D448-Q450 PolarHBondContact O-N 2.84Å; D448-Q450 PolarHBondContact OD1-N 2.75Å; D448-G451 PolarHBondContact O-N 3.36Å; D448-G451 PolarHBondContact OD1-N 2.82Å | ||
| 449 | P | 83.1 | Confident | 89.9 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 51% | 0.513 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -66.3 | -22.4 | -178.9 | -23.9 | 35.6 | 0 | 0 | 0 | 114.1 | A457 | P449-A457 HydrophobicContact CB-CB 4.18Å; P449-A457 HydrophobicContact CG-CB 4.15Å |
| 450 | Q | 83.1 | Confident | 90.1 | Very high | 192 Ų | 192 | 41.2 Ų | 41.2 | 90% | 0.897 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -79.5 | -27.4 | 178.5 | -63 | -172.9 | 15.9 | 0 | 0 | 111.8 | D448 V452 | D448-Q450 PolarHBondContact O-N 2.84Å; D448-Q450 PolarHBondContact OD1-N 2.75Å; Q450-V452 VanDerWaalsContact C-N 3.3Å; Q450-V452 PolarHBondContact O-N 2.92Å |
| 451 | G | 82.4 | Confident | 90.2 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -74.7 | -10.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F400 D448 | F400-G451 VanDerWaalsContact CE1-O 3.31Å; F400-G451 WeakPolarHBondContact CE1-O 3.44Å; D448-G451 PolarHBondContact O-N 3.36Å; D448-G451 PolarHBondContact OD1-N 2.82Å |
| 452 | V | 88.5 | Confident | 90.3 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -97.2 | 128.6 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | T149 F400 Y446 Q450 Y454 | T149-V452 HydrophobicContact CG2-CG1 3.62Å; F400-V452 HydrophobicContact CB-CG2 4.24Å; F400-V452 HydrophobicContact CD1-CG2 3.77Å; F400-V452 HydrophobicContact CE1-CG2 4.24Å; F400-V452 HydrophobicContact CG-CG2 3.94Å; Y446-V452 HydrophobicContact CD1-CG2 4.49Å; Y446-V452 HydrophobicContact CD2-CG1 4.38Å; Y446-V452 HydrophobicContact CD2-CG2 3.92Å; Y446-V452 HydrophobicContact CG-CG2 3.85Å; Q450-V452 VanDerWaalsContact C-N 3.3Å; Q450-V452 PolarHBondContact O-N 2.92Å; V452-Y454 PolarHBondContact O-N 3.38Å |
| 453 | P | 83.6 | Confident | 90.4 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -81.4 | 35.9 | 179.8 | 35.5 | -37.1 | 0 | 0 | 0 | 113.4 | R73 F147 P229 F230 F400 | R73-P453 PolarHBondContact NH1-O 2.85Å; R73-P453 PolarHBondContact NH2-O 3.47Å; F147-P453 HydrophobicContact CB-CG 4.28Å; F147-P453 HydrophobicContact CD2-CG 4.27Å; P229-P453 HydrophobicContact CB-CB 4.29Å; P229-P453 HydrophobicContact CG-CB 3.57Å; P229-P453 HydrophobicContact CG-CG 4.16Å; F230-P453 HydrophobicContact CZ-CB 4.47Å; F400-P453 HydrophobicContact CZ-CG 4.41Å |
| 454 | Y | 81.3 | Confident | 90.3 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -151.4 | 130.4 | -176 | -171.4 | -131.9 | 0 | 0 | 0 | 108.6 | G72 R73 A74 T149 V452 E456 W605 | G72-Y454 PolarHBondContact O-OH 3.38Å; R73-Y454 WeakPolarHBondContact CA-OH 3.27Å; R73-Y454 HydrophobicContact CB-CE2 3.94Å; R73-Y454 HydrophobicContact CG-CD2 4.11Å; R73-Y454 HydrophobicContact CG-CE2 3.66Å; A74-Y454 PolarHBondContact N-OH 2.75Å; A74-Y454 VanDerWaalsContact N-OH 3.15Å; T149-Y454 HydrophobicContact CG2-CD1 4.4Å; V452-Y454 PolarHBondContact O-N 3.38Å; Y454-E456 HydrophobicContact CD1-CB 4.01Å; Y454-E456 HydrophobicContact CE1-CB 3.6Å; Y454-E456 HydrophobicContact CE1-CG 4.29Å; Y454-E456 PolarHBondContact O-N 2.95Å; Y454-W605 VanDerWaalsContact OH-CD1 3.22Å; Y454-W605 PolarHBondContact OH-NE1 2.91Å |
| 455 | P | 80.1 | Confident | 90.1 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -72.1 | -13.2 | -171.4 | 27.7 | -37.1 | 0 | 0 | 0 | 114.9 | D77 | D77-P455 HydrophobicContact CB-CG 4.28Š|
| 456 | E | 86.6 | Confident | 89.9 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | trans | -91.1 | 114.2 | 177.2 | 174.8 | 57.7 | -76.9 | 0 | 0 | 110.1 | Y454 K458 V604 | Y454-E456 HydrophobicContact CD1-CB 4.01Å; Y454-E456 HydrophobicContact CE1-CB 3.6Å; Y454-E456 HydrophobicContact CE1-CG 4.29Å; Y454-E456 PolarHBondContact O-N 2.95Å; E456-K458 WeakPolarHBondContact OE1-CB 3.34Å; E456-K458 PolarHBondContact OE1-N 2.73Å; E456-V604 HydrophobicContact CG-CG1 3.72Å | ||
| 457 | A | 89.4 | Confident | 89.5 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | trans | -87.8 | -16.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F445 Y446 P449 | F445-A457 CarbonylContact C-O 3.53Å; F445-A457 VanDerWaalsContact CA-O 3.24Å; F445-A457 WeakPolarHBondContact CA-O 3.48Å; F445-A457 WeakPolarHBondContact CB-O 3.31Å; Y446-A457 WeakPolarHBondContact CD2-O 3.4Å; Y446-A457 PolarHBondContact N-O 2.78Å; P449-A457 HydrophobicContact CB-CB 4.18Å; P449-A457 HydrophobicContact CG-CB 4.15Å | ||
| 458 | K | 92.8 | Very high | 89.1 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.3 | -177.7 | -168.6 | -178.4 | -171.6 | 122 | 0 | 111.1 | E443 E456 V604 | E443-K458 HydrophobicContact CG-CG 4.46Å; E443-K458 WeakPolarHBondContact OE1-CD 3.4Å; E443-K458 WeakPolarHBondContact OE1-CE 3.37Å; E443-K458 IonicContact OE1-NZ 3.79Å; E443-K458 PolarHBondContact OE1-NZ 3.48Å; E443-K458 VanDerWaalsContact OE2-CE 3.31Å; E443-K458 WeakPolarHBondContact OE2-CE 3.19Å; E443-K458 IonicContact OE2-NZ 3.54Å; E443-K458 PolarHBondContact OE2-NZ 3.14Å; E456-K458 WeakPolarHBondContact OE1-CB 3.34Å; E456-K458 PolarHBondContact OE1-N 2.73Å; K458-V604 HydrophobicContact CB-CG2 4.18Å; K458-V604 HydrophobicContact CD-CG2 4.05Å; K458-V604 HydrophobicContact CG-CG2 3.91Å |
| 459 | I | 95.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -45.3 | 176 | -63.3 | 166 | 0 | 0 | 0 | 109.9 | D150 I402 A444 Y446 F490 V604 | D150-I459 HydrophobicContact CB-CG1 4.41Å; D150-I459 HydrophobicContact CB-CG2 3.86Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.42Å; I402-I459 HydrophobicContact CB-CD1 4.45Å; I402-I459 HydrophobicContact CD1-CD1 4.03Å; I402-I459 HydrophobicContact CG1-CD1 3.93Å; I402-I459 HydrophobicContact CG2-CD1 3.77Å; A444-I459 HydrophobicContact CB-CB 4.07Å; A444-I459 HydrophobicContact CB-CD1 4.47Å; A444-I459 HydrophobicContact CB-CG2 4.43Å; A444-I459 WeakPolarHBondContact O-CB 3.42Å; A444-I459 PolarHBondContact O-N 2.89Å; Y446-I459 HydrophobicContact CD1-CD1 4.02Å; Y446-I459 HydrophobicContact CD2-CG1 4.29Å; Y446-I459 HydrophobicContact CE1-CD1 3.72Å; Y446-I459 HydrophobicContact CE1-CG1 4.16Å; Y446-I459 HydrophobicContact CE2-CD1 4.33Å; Y446-I459 HydrophobicContact CE2-CG1 3.87Å; Y446-I459 HydrophobicContact CG-CD1 4.45Å; I459-F490 HydrophobicContact CG2-CB 4.24Å; I459-V604 PolarHBondContact O-N 3.13Å; I459-V604 VanDerWaalsContact O-N 3.17Å |
| 460 | G | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 163.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | A444 N602 | A444-G460 PolarHBondContact N-O 2.91Å; A444-G460 PolarHBondContact O-N 2.65Å; G460-N602 CarbonylContact C-O 3.57Å; G460-N602 WeakPolarHBondContact CA-O 3.25Å |
| 461 | R | 95.9 | Very high | 88.2 | Confident | 95 Ų | 95 | 45 Ų | 45 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.5 | 178.8 | 175.5 | -178.5 | -169 | -116.3 | -3.8 | 109 | E441 N602 | E441-R461 HydrophobicContact CG-CG 4.12Å; E441-R461 WeakPolarHBondContact OE1-CD 3.47Å; E441-R461 VanDerWaalsContact OE1-CG 3.31Å; E441-R461 WeakPolarHBondContact OE1-CG 3.27Å; E441-R461 IonicContact OE1-CZ 3.08Å; E441-R461 IonicContact OE1-NE 3.12Å; E441-R461 PolarHBondContact OE1-NE 2.86Å; E441-R461 IonicContact OE1-NH2 2.75Å; E441-R461 IonicContact OE2-CZ 3.29Å; E441-R461 VanDerWaalsContact OE2-CZ 3.29Å; E441-R461 IonicContact OE2-NE 3.5Å; E441-R461 PolarHBondContact OE2-NE 2.93Å; E441-R461 VanDerWaalsContact OE2-NE 3.11Å; E441-R461 IonicContact OE2-NH2 2.77Å; E441-R461 PolarHBondContact OE2-NH2 3.07Å; R461-N602 HydrophobicContact CB-CB 4.38Å; R461-N602 PolarHBondContact N-O 3.02Å; R461-N602 PolarHBondContact O-N 3.48Å |
| 462 | F | 96.3 | Very high | 87.8 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.5 | -179.1 | -56.6 | -93.3 | 0 | 0 | 0 | 110.2 | E441 L442 A444 F490 I492 V599 E600 A601 L603 | E441-F462 WeakPolarHBondContact CA-O 3.4Å; L442-F462 HydrophobicContact CB-CB 4.39Å; L442-F462 PolarHBondContact N-O 3.44Å; L442-F462 PolarHBondContact O-N 2.84Å; A444-F462 HydrophobicContact CB-CE2 3.97Å; F462-F490 HydrophobicContact CD2-CE1 4.37Å; F462-F490 AromaticContact CE2-CD1 3.94Å; F462-F490 HydrophobicContact CE2-CD1 3.94Å; F462-F490 AromaticContact CE2-CE1 3.66Å; F462-F490 HydrophobicContact CE2-CE1 3.66Å; F462-F490 AromaticContact CZ-CD1 3.84Å; F462-F490 HydrophobicContact CZ-CD1 3.84Å; F462-F490 AromaticContact CZ-CE1 3.88Å; F462-F490 HydrophobicContact CZ-CE1 3.88Å; F462-I492 HydrophobicContact CB-CD1 3.46Å; F462-I492 VanDerWaalsContact CB-CD1 3.46Å; F462-I492 HydrophobicContact CB-CG1 4.17Å; F462-I492 HydrophobicContact CD1-CB 4.38Å; F462-I492 HydrophobicContact CD1-CD1 4.06Å; F462-I492 HydrophobicContact CD1-CG1 3.78Å; F462-I492 HydrophobicContact CD2-CD1 4.26Å; F462-I492 HydrophobicContact CD2-CG1 4.34Å; F462-I492 HydrophobicContact CE1-CG1 4.24Å; F462-I492 HydrophobicContact CG-CD1 3.68Å; F462-I492 HydrophobicContact CG-CG1 3.84Å; F462-V599 HydrophobicContact CB-CG1 4.12Å; F462-V599 HydrophobicContact CD1-CG1 4.41Å; F462-E600 CarbonylContact C-O 3.58Å; F462-E600 VanDerWaalsContact CA-O 3.28Å; F462-E600 WeakPolarHBondContact CA-O 3.34Å; F462-A601 HydrophobicContact CD1-CB 3.63Å; F462-A601 HydrophobicContact CE1-CB 3.69Å; F462-L603 HydrophobicContact CE1-CD2 3.94Å; F462-L603 HydrophobicContact CE2-CD2 4.49Å; F462-L603 HydrophobicContact CZ-CD2 3.61Å |
| 463 | V | 95.5 | Very high | 87 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.8 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | Q465 V599 E600 | V463-Q465 HydrophobicContact CG1-CG 4.26Å; V463-Q465 PolarHBondContact O-N 3.14Å; V463-V599 WeakPolarHBondContact O-CA 3.1Å; V463-E600 HydrophobicContact CB-CB 4.36Å; V463-E600 PolarHBondContact N-O 3.22Å; V463-E600 PolarHBondContact O-N 3.34Å |
| 464 | V | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 106 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 108 | P439 F440 L442 V467 V478 V480 A495 L597 V599 | P439-V464 VanDerWaalsContact CA-O 3.29Å; P439-V464 WeakPolarHBondContact CA-O 3Å; P439-V464 WeakPolarHBondContact CB-O 3.3Å; F440-V464 HydrophobicContact CD1-CB 4.02Å; F440-V464 HydrophobicContact CE1-CB 3.7Å; F440-V464 HydrophobicContact CE1-CG1 3.93Å; F440-V464 HydrophobicContact CE1-CG2 4.03Å; F440-V464 HydrophobicContact CE2-CG2 4.4Å; F440-V464 HydrophobicContact CZ-CB 4.14Å; F440-V464 HydrophobicContact CZ-CG2 3.93Å; F440-V464 PolarHBondContact N-O 3.17Å; F440-V464 PolarHBondContact O-N 3.37Å; L442-V464 HydrophobicContact CD1-CG2 4.31Å; V464-V467 HydrophobicContact CG1-CG2 3.95Å; V464-V478 HydrophobicContact CG1-CG1 4.42Å; V464-V480 HydrophobicContact CG2-CG2 4.45Å; V464-A495 HydrophobicContact CG1-CB 3.9Å; V464-L597 HydrophobicContact CG1-CB 4.09Å; V464-L597 HydrophobicContact CG1-CD1 3.7Å; V464-V599 HydrophobicContact CG2-CG2 4.4Å |
| 465 | Q | 93.6 | Very high | 87.1 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | trans | -86.7 | 170.2 | -175.1 | -63.9 | -178.4 | -6 | 0 | 0 | 111.9 | V463 V467 P598 E600 | V463-Q465 HydrophobicContact CG1-CG 4.26Å; V463-Q465 PolarHBondContact O-N 3.14Å; Q465-V467 PolarHBondContact O-N 3.44Å; Q465-P598 HydrophobicContact CB-CB 4.42Å; Q465-P598 HydrophobicContact CB-CG 4.01Å; Q465-P598 PolarHBondContact N-O 3.05Å; Q465-E600 PolarHBondContact NE2-OE2 2.97Å | ||
| 466 | N | 91.4 | Very high | 87.5 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 55.1 | 17.7 | 173.7 | -59.2 | -10.2 | 0 | 0 | 0 | 117 | L597 P598 | N466-L597 HydrophobicContact CB-CD2 4.49Å; N466-P598 HydrophobicContact CB-CG 4.42Å |
| 467 | V | 87.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | trans | -68.4 | 131.5 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | R436 G438 P439 F440 V464 Q465 V478 M497 L597 | R436-V467 HydrophobicContact CB-CG1 4.01Å; G438-V467 WeakPolarHBondContact CA-O 3.44Å; G438-V467 WeakPolarHBondContact O-CB 3.41Å; G438-V467 WeakPolarHBondContact O-CG1 3.41Å; P439-V467 WeakPolarHBondContact CD-O 3.41Å; F440-V467 HydrophobicContact CD1-CG2 4.2Å; F440-V467 HydrophobicContact CE1-CG2 4.14Å; V464-V467 HydrophobicContact CG1-CG2 3.95Å; Q465-V467 PolarHBondContact O-N 3.44Å; V467-V478 HydrophobicContact CG1-CG2 3.88Å; V467-V478 HydrophobicContact CG2-CG2 3.95Å; V467-M497 HydrophobicContact CG1-SD 4.43Å; V467-L597 HydrophobicContact CG2-CD1 3.63Å | ||
| 468 | S | 84.9 | Confident | 88 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | trans | -124.9 | 163.5 | 172.1 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | R437 S476 M497 | R437-S468 CarbonylContact O-C 3.47Å; S468-S476 WeakPolarHBondContact O-CB 3.31Å; S468-S476 PolarHBondContact O-OG 3.4Å; S468-M497 VanDerWaalsContact O-SD 3.39Å; S468-M497 WeakPolarHBondContact OG-CE 3.47Å | ||
| 469 | A | 83.4 | Confident | 88.1 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -69.4 | 158.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R437 | R437-A469 PolarHBondContact O-N 2.87Š| ||
| 470 | Q | 78.6 | Confident | 88.1 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | trans | -69.8 | 164.9 | 173.7 | -67.5 | -163.4 | -19.2 | 0 | 0 | 111 | D472 G473 E474 S476 V498 | Q470-D472 WeakPolarHBondContact CB-OD1 3.45Å; Q470-D472 PolarHBondContact O-N 2.82Å; Q470-G473 PolarHBondContact O-N 3.15Å; Q470-E474 PolarHBondContact N-O 3.41Å; Q470-S476 VanDerWaalsContact CG-OG 3.26Å; Q470-S476 WeakPolarHBondContact CG-OG 3.21Å; Q470-S476 PolarHBondContact N-OG 3.24Å; Q470-V498 PolarHBondContact NE2-O 3.45Å | ||
| 471 | K | 75.6 | Confident | 88.2 | Confident | 192 Ų | 192 | 56.5 Ų | 56.5 | 84% | 0.835 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13.7 | -174.6 | -63.4 | -175.4 | 179.9 | -178.3 | 0 | 114.4 | ||
| 472 | D | 73.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 52 Ų | 52 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.7 | 176.4 | 47 | 26.1 | 0 | 0 | 0 | 113.3 | Q470 E474 K500 | Q470-D472 WeakPolarHBondContact CB-OD1 3.45Å; Q470-D472 PolarHBondContact O-N 2.82Å; D472-E474 HydrophobicContact CB-CG 4.5Å; D472-E474 VanDerWaalsContact OD1-CB 3.28Å; D472-E474 WeakPolarHBondContact OD1-CB 3.44Å; D472-E474 PolarHBondContact OD1-N 3.34Å; D472-K500 IonicContact OD2-NZ 2.67Å; D472-K500 PolarHBondContact OD2-NZ 3.25Å; D472-K500 VanDerWaalsContact OD2-NZ 3.08Å |
| 473 | G | 72.7 | Confident | 88.4 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 83.8 | 3.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R437 Q470 | R437-G473 PolarHBondContact NE-O 3.49Å; R437-G473 PolarHBondContact NH2-O 3.31Å; R437-G473 VanDerWaalsContact NH2-O 3.13Å; Q470-G473 PolarHBondContact O-N 3.15Å |
| 474 | E | 81.8 | Confident | 88.5 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 163 | 174.7 | -64.9 | -162.9 | 142.6 | 0 | 0 | 112.3 | Q470 D472 S476 K500 | Q470-E474 PolarHBondContact N-O 3.41Å; D472-E474 HydrophobicContact CB-CG 4.5Å; D472-E474 VanDerWaalsContact OD1-CB 3.28Å; D472-E474 WeakPolarHBondContact OD1-CB 3.44Å; D472-E474 PolarHBondContact OD1-N 3.34Å; E474-S476 PolarHBondContact O-N 2.67Å; E474-K500 IonicContact OE2-NZ 2.76Å; E474-K500 PolarHBondContact OE2-NZ 3.38Å; E474-K500 VanDerWaalsContact OE2-NZ 3.12Å |
| 475 | K | 85.1 | Confident | 88.5 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.2 | 174.2 | -68.2 | -171.3 | -179 | -157.2 | 0 | 109.9 | D409 L435 R436 R437 | D409-K475 WeakPolarHBondContact OD2-CD 3.32Å; D409-K475 WeakPolarHBondContact OD2-CE 3.46Å; D409-K475 IonicContact OD2-NZ 2.66Å; D409-K475 PolarHBondContact OD2-NZ 3.42Å; L435-K475 HydrophobicContact CB-CB 3.94Å; L435-K475 HydrophobicContact CB-CD 4.06Å; R436-K475 CarbonylContact O-C 3.47Å; R436-K475 WeakPolarHBondContact O-CA 3.36Å; R437-K475 HydrophobicContact CG-CG 3.91Å |
| 476 | S | 88.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 138.4 | 172.3 | -78.2 | 0 | 0 | 0 | 0 | 111.4 | L435 R436 S468 Q470 E474 V478 M497 | L435-S476 WeakPolarHBondContact CA-O 3.35Å; R436-S476 PolarHBondContact N-O 3.18Å; R436-S476 VanDerWaalsContact N-O 3.12Å; R436-S476 PolarHBondContact O-N 3Å; S468-S476 WeakPolarHBondContact O-CB 3.31Å; S468-S476 PolarHBondContact O-OG 3.4Å; Q470-S476 VanDerWaalsContact CG-OG 3.26Å; Q470-S476 WeakPolarHBondContact CG-OG 3.21Å; Q470-S476 PolarHBondContact N-OG 3.24Å; E474-S476 PolarHBondContact O-N 2.67Å; S476-V478 PolarHBondContact O-N 2.77Å; S476-M497 VanDerWaalsContact CB-SD 3.59Å; S476-M497 PolarHBondContact OG-SD 3.16Å |
| 477 | K | 91.6 | Very high | 88.9 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 103.8 | 176.1 | -173.1 | 178.3 | -170.2 | 172.4 | 0 | 109.1 | T433 L435 V498 | T433-K477 HydrophobicContact CG2-CD 4.24Å; T433-K477 VanDerWaalsContact CG2-CE 3.45Å; T433-K477 HydrophobicContact CG2-CG 3.72Å; L435-K477 HydrophobicContact CD2-CB 4.05Å; L435-K477 HydrophobicContact CD2-CG 4.3Å; K477-V498 HydrophobicContact CB-CB 4.25Å; K477-V498 HydrophobicContact CB-CG2 4.48Å; K477-V498 WeakPolarHBondContact O-CB 3.35Å; K477-V498 WeakPolarHBondContact O-CG2 3.44Å; K477-V498 PolarHBondContact O-N 3.3Å |
| 478 | V | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.8 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | T433 F434 F440 V464 V467 S476 V480 S496 M497 L597 | T433-V478 WeakPolarHBondContact CA-O 3.49Å; F434-V478 PolarHBondContact N-O 2.91Å; F434-V478 PolarHBondContact O-N 3.16Å; F440-V478 HydrophobicContact CE1-CB 4.3Å; F440-V478 HydrophobicContact CE1-CG1 4.08Å; F440-V478 HydrophobicContact CE1-CG2 4.38Å; F440-V478 HydrophobicContact CZ-CG1 4.3Å; V464-V478 HydrophobicContact CG1-CG1 4.42Å; V467-V478 HydrophobicContact CG1-CG2 3.88Å; V467-V478 HydrophobicContact CG2-CG2 3.95Å; S476-V478 PolarHBondContact O-N 2.77Å; V478-V480 HydrophobicContact CG1-CG2 4.01Å; V478-S496 CarbonylContact C-O 3.58Å; V478-S496 WeakPolarHBondContact CA-O 3.4Å; V478-M497 HydrophobicContact CG2-CG 4.49Å; V478-L597 HydrophobicContact CG1-CD1 3.63Å; V478-L597 HydrophobicContact CG2-CD1 4.34Å |
| 479 | K | 95.1 | Very high | 89.8 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 30% | 0.296 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.8 | 170.3 | -63.2 | 167.8 | -175 | 160.3 | 0 | 108.5 | V431 L432 A495 S496 V498 N594 | V431-K479 HydrophobicContact CG1-CB 4.2Å; L432-K479 WeakPolarHBondContact O-CA 3.23Å; K479-A495 CarbonylContact O-C 2.98Å; K479-A495 WeakPolarHBondContact O-CA 3.39Å; K479-S496 PolarHBondContact N-O 2.91Å; K479-S496 PolarHBondContact O-N 2.89Å; K479-V498 HydrophobicContact CD-CG2 4.1Å; K479-V498 HydrophobicContact CG-CG2 4.3Å; K479-N594 PolarHBondContact NZ-OD1 3.21Å |
| 480 | V | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L432 F434 F440 L442 V464 V478 V482 I492 A495 | L432-V480 PolarHBondContact N-O 2.78Å; L432-V480 PolarHBondContact O-N 3.33Å; F434-V480 HydrophobicContact CD2-CB 4.33Å; F434-V480 HydrophobicContact CD2-CG2 3.76Å; F434-V480 HydrophobicContact CE2-CB 3.97Å; F434-V480 HydrophobicContact CE2-CG2 3.83Å; F440-V480 HydrophobicContact CZ-CG2 4.15Å; L442-V480 HydrophobicContact CD1-CB 4.43Å; L442-V480 HydrophobicContact CD1-CG1 3.87Å; L442-V480 HydrophobicContact CD1-CG2 4.29Å; V464-V480 HydrophobicContact CG2-CG2 4.45Å; V478-V480 HydrophobicContact CG1-CG2 4.01Å; V480-V482 HydrophobicContact CG1-CG1 3.91Å; V480-I492 HydrophobicContact CG1-CD1 4Å; V480-I492 HydrophobicContact CG1-CG2 3.51Å; V480-A495 HydrophobicContact CG2-CB 4.29Å |
| 481 | K | 96.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 50 Ų | 50 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 101.3 | -178.2 | -175.1 | -173.8 | 172 | -175.8 | 0 | 109.7 | V431 S493 T494 | V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.02Å; K481-S493 WeakPolarHBondContact CD-OG 3.25Å; K481-S493 WeakPolarHBondContact CG-OG 3.33Å; K481-S493 PolarHBondContact O-N 2.95Å; K481-S493 PolarHBondContact O-OG 2.96Å; K481-T494 WeakPolarHBondContact CB-OG1 3.46Å; K481-T494 PolarHBondContact N-O 3.37Å |
| 482 | V | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 146.8 | -179.1 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | L404 V419 S429 K430 L432 V480 F490 I492 | L404-V482 HydrophobicContact CD1-CG1 4.11Å; V419-V482 HydrophobicContact CG1-CB 4.49Å; V419-V482 HydrophobicContact CG1-CG2 3.36Å; S429-V482 CarbonylContact C-O 3.48Å; S429-V482 VanDerWaalsContact CA-O 3.23Å; S429-V482 WeakPolarHBondContact CA-O 3.23Å; K430-V482 HydrophobicContact CB-CG2 4.16Å; K430-V482 PolarHBondContact N-O 3.48Å; K430-V482 WeakPolarHBondContact O-CG2 3.46Å; K430-V482 PolarHBondContact O-N 3.27Å; L432-V482 HydrophobicContact CD1-CG2 4.25Å; L432-V482 HydrophobicContact CG-CG2 4.36Å; V480-V482 HydrophobicContact CG1-CG1 3.91Å; V482-F490 HydrophobicContact CB-CE2 4.21Å; V482-F490 HydrophobicContact CB-CZ 4.03Å; V482-F490 HydrophobicContact CG1-CZ 4.22Å; V482-I492 HydrophobicContact CG1-CD1 4.44Å; V482-I492 HydrophobicContact CG1-CG1 4.07Å |
| 483 | R | 97.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 138.3 | -165.2 | 167.8 | 171.3 | -105.9 | -150.6 | -10.1 | 111.2 | F428 S429 N485 F490 T491 | F428-R483 WeakPolarHBondContact O-CA 3.33Å; S429-R483 WeakPolarHBondContact OG-CB 3.42Å; S429-R483 WeakPolarHBondContact OG-CG 3.25Å; S429-R483 PolarHBondContact OG-NE 3.41Å; R483-N485 HydrophobicContact CG-CB 4.32Å; R483-F490 CarbonylContact O-C 3.57Å; R483-F490 WeakPolarHBondContact O-CA 3.41Å; R483-T491 PolarHBondContact N-O 3.43Å; R483-T491 PolarHBondContact O-N 3.06Å |
| 484 | V | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.3 | 152 | 177.8 | 0 | 0 | 0 | 0 | 107 | V398 I402 F420 A426 P427 F428 I489 | V398-V484 HydrophobicContact CG2-CB 4.42Å; V398-V484 HydrophobicContact CG2-CG1 4.2Å; V398-V484 HydrophobicContact CG2-CG2 4.18Å; I402-V484 HydrophobicContact CD1-CG2 4.21Å; F420-V484 HydrophobicContact CD1-CG2 4.07Å; F420-V484 HydrophobicContact CD2-CG2 3.69Å; F420-V484 HydrophobicContact CE1-CG2 4.13Å; F420-V484 HydrophobicContact CE2-CG2 3.77Å; F420-V484 HydrophobicContact CG-CG2 3.87Å; F420-V484 HydrophobicContact CZ-CG2 4Å; A426-V484 HydrophobicContact CB-CG1 4.19Å; P427-V484 WeakPolarHBondContact CA-O 3.13Å; P427-V484 WeakPolarHBondContact CB-O 3.47Å; F428-V484 PolarHBondContact N-O 3.36Å; F428-V484 VanDerWaalsContact N-O 3.1Å; F428-V484 PolarHBondContact O-N 2.81Å; F428-V484 VanDerWaalsContact O-N 3.11Å; V484-I489 WeakPolarHBondContact CA-O 3.41Å |
| 485 | N | 96 | Very high | 94.8 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | trans | -86.2 | -176.8 | -172.8 | 75.2 | 17.3 | 0 | 0 | 0 | 112.6 | R483 H487 G488 I489 | R483-N485 HydrophobicContact CG-CB 4.32Å; N485-H487 PolarHBondContact O-N 3.03Å; N485-H487 WeakPolarHBondContact OD1-CA 3.36Å; N485-H487 WeakPolarHBondContact OD1-CB 3.36Å; N485-H487 PolarHBondContact OD1-CD2 3.42Å; N485-H487 PolarHBondContact OD1-N 2.88Å; N485-G488 PolarHBondContact O-N 3.06Å; N485-G488 VanDerWaalsContact O-N 3.09Å; N485-G488 PolarHBondContact OD1-N 3.43Å; N485-I489 VanDerWaalsContact CG-O 3.29Å; N485-I489 PolarHBondContact N-O 3.34Å; N485-I489 PolarHBondContact OD1-N 3.48Å; N485-I489 PolarHBondContact OD1-O 2.85Å | ||
| 486 | T | 95.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 33 Ų | 33 | 38% | 0.38 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.7 | -179.9 | 36 | 0 | 0 | 0 | 0 | 114.8 | R169 P427 | R169-T486 WeakPolarHBondContact CG-O 3.49Å; R169-T486 PolarHBondContact NE-O 3.28Å; P427-T486 HydrophobicContact CG-CG2 4.27Å |
| 487 | H | 97.1 | Very high | 95.4 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 15% | 0.148 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.7 | -179.6 | -48.7 | -105.8 | 0 | 0 | 0 | 112.3 | R153 C167 L170 N485 I489 | R153-H487 WeakPolarHBondContact CD-O 3.15Å; R153-H487 PolarHBondContact NH1-O 3.44Å; C167-H487 PolarHBondContact O-CE1 2.94Å; L170-H487 HydrophobicContact CB-CB 4Å; L170-H487 HydrophobicContact CD1-CB 4.44Å; L170-H487 HydrophobicContact CG-CB 4.3Å; L170-H487 PolarHBondContact N-ND1 2.88Å; N485-H487 PolarHBondContact O-N 3.03Å; N485-H487 WeakPolarHBondContact OD1-CA 3.36Å; N485-H487 WeakPolarHBondContact OD1-CB 3.36Å; N485-H487 PolarHBondContact OD1-CD2 3.42Å; N485-H487 PolarHBondContact OD1-N 2.88Å; H487-I489 HydrophobicContact CB-CD1 4.03Å; H487-I489 HydrophobicContact CB-CG1 4.39Å |
| 488 | G | 95.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 29.2 Ų | 29.2 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 83 | 13.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N485 | N485-G488 PolarHBondContact O-N 3.06Å; N485-G488 VanDerWaalsContact O-N 3.09Å; N485-G488 PolarHBondContact OD1-N 3.43Å |
| 489 | I | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | trans | -96.2 | 138.8 | -176 | -77.3 | 163.2 | 0 | 0 | 0 | 111.1 | D150 R153 R154 L157 V484 N485 H487 T491 | D150-I489 VanDerWaalsContact OD2-CA 3.25Å; D150-I489 WeakPolarHBondContact OD2-CA 3.19Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.49Å; R153-I489 HydrophobicContact CB-CD1 3.75Å; R153-I489 HydrophobicContact CB-CG1 3.74Å; R154-I489 HydrophobicContact CG-CD1 4.18Å; R154-I489 VanDerWaalsContact NH2-CG2 3.28Å; L157-I489 HydrophobicContact CD1-CD1 3.52Å; L157-I489 HydrophobicContact CG-CD1 4.49Å; V484-I489 WeakPolarHBondContact CA-O 3.41Å; N485-I489 VanDerWaalsContact CG-O 3.29Å; N485-I489 PolarHBondContact N-O 3.34Å; N485-I489 PolarHBondContact OD1-N 3.48Å; N485-I489 PolarHBondContact OD1-O 2.85Å; H487-I489 HydrophobicContact CB-CD1 4.03Å; H487-I489 HydrophobicContact CB-CG1 4.39Å; I489-T491 HydrophobicContact CG2-CG2 4.3Å | ||
| 490 | F | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.5 | 174.3 | -178.5 | -85.4 | 0 | 0 | 0 | 111.7 | D150 R154 I402 L404 F420 A444 I459 F462 V482 R483 I492 | D150-F490 PolarHBondContact OD2-N 3.06Å; R154-F490 PolarHBondContact NH2-O 3.02Å; I402-F490 HydrophobicContact CD1-CB 4.31Å; I402-F490 HydrophobicContact CD1-CD2 4.3Å; I402-F490 HydrophobicContact CG2-CD2 3.85Å; I402-F490 HydrophobicContact CG2-CE2 4.05Å; L404-F490 HydrophobicContact CD1-CZ 4.36Å; L404-F490 HydrophobicContact CD2-CE1 4.49Å; L404-F490 HydrophobicContact CD2-CZ 3.98Å; L404-F490 HydrophobicContact CG-CZ 4.31Å; F420-F490 HydrophobicContact CD2-CD2 4.2Å; F420-F490 HydrophobicContact CD2-CE2 4.26Å; F420-F490 AromaticContact CE2-CD2 3.86Å; F420-F490 HydrophobicContact CE2-CD2 3.86Å; F420-F490 AromaticContact CE2-CE2 3.8Å; F420-F490 HydrophobicContact CE2-CE2 3.8Å; A444-F490 HydrophobicContact CB-CD1 3.95Å; A444-F490 HydrophobicContact CB-CE1 3.69Å; A444-F490 HydrophobicContact CB-CZ 4.06Å; I459-F490 HydrophobicContact CG2-CB 4.24Å; F462-F490 HydrophobicContact CD2-CE1 4.37Å; F462-F490 AromaticContact CE2-CD1 3.94Å; F462-F490 HydrophobicContact CE2-CD1 3.94Å; F462-F490 AromaticContact CE2-CE1 3.66Å; F462-F490 HydrophobicContact CE2-CE1 3.66Å; F462-F490 AromaticContact CZ-CD1 3.84Å; F462-F490 HydrophobicContact CZ-CD1 3.84Å; F462-F490 AromaticContact CZ-CE1 3.88Å; F462-F490 HydrophobicContact CZ-CE1 3.88Å; V482-F490 HydrophobicContact CB-CE2 4.21Å; V482-F490 HydrophobicContact CB-CZ 4.03Å; V482-F490 HydrophobicContact CG1-CZ 4.22Å; R483-F490 CarbonylContact O-C 3.57Å; R483-F490 WeakPolarHBondContact O-CA 3.41Å; F490-I492 HydrophobicContact CE1-CG1 4.44Å |
| 491 | T | 95.9 | Very high | 92.4 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.5 | 169 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | R483 I489 | R483-T491 PolarHBondContact N-O 3.43Å; R483-T491 PolarHBondContact O-N 3.06Å; I489-T491 HydrophobicContact CG2-CG2 4.3Å |
| 492 | I | 95.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 118 | 154.6 | -53.3 | -161.4 | 0 | 0 | 0 | 107 | L442 F462 V480 V482 F490 V599 | L442-I492 HydrophobicContact CB-CD1 4.34Å; L442-I492 HydrophobicContact CD1-CD1 3.69Å; F462-I492 HydrophobicContact CB-CD1 3.46Å; F462-I492 VanDerWaalsContact CB-CD1 3.46Å; F462-I492 HydrophobicContact CB-CG1 4.17Å; F462-I492 HydrophobicContact CD1-CB 4.38Å; F462-I492 HydrophobicContact CD1-CD1 4.06Å; F462-I492 HydrophobicContact CD1-CG1 3.78Å; F462-I492 HydrophobicContact CD2-CD1 4.26Å; F462-I492 HydrophobicContact CD2-CG1 4.34Å; F462-I492 HydrophobicContact CE1-CG1 4.24Å; F462-I492 HydrophobicContact CG-CD1 3.68Å; F462-I492 HydrophobicContact CG-CG1 3.84Å; V480-I492 HydrophobicContact CG1-CD1 4Å; V480-I492 HydrophobicContact CG1-CG2 3.51Å; V482-I492 HydrophobicContact CG1-CD1 4.44Å; V482-I492 HydrophobicContact CG1-CG1 4.07Å; F490-I492 HydrophobicContact CE1-CG1 4.44Å; I492-V599 HydrophobicContact CB-CG1 4.22Å; I492-V599 HydrophobicContact CD1-CG1 4.23Å; I492-V599 HydrophobicContact CG2-CG1 4.3Å; I492-V599 HydrophobicContact CG2-CG2 4.14Å |
| 493 | S | 91.9 | Very high | 88.2 | Confident | 45 Ų | 45 | 40.2 Ų | 40.2 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -35.1 | -173.2 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | K481 | K481-S493 WeakPolarHBondContact CD-OG 3.25Å; K481-S493 WeakPolarHBondContact CG-OG 3.33Å; K481-S493 PolarHBondContact O-N 2.95Å; K481-S493 PolarHBondContact O-OG 2.96Å |
| 494 | T | 94.2 | Very high | 85.7 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 151.3 | 166.9 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | K481 | K481-T494 WeakPolarHBondContact CB-OG1 3.46Å; K481-T494 PolarHBondContact N-O 3.37Å |
| 495 | A | 95.2 | Very high | 83 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V464 K479 V480 L597 V599 | V464-A495 HydrophobicContact CG1-CB 3.9Å; K479-A495 CarbonylContact O-C 2.98Å; K479-A495 WeakPolarHBondContact O-CA 3.39Å; V480-A495 HydrophobicContact CG2-CB 4.29Å; A495-L597 HydrophobicContact CB-CB 4.06Å; A495-L597 HydrophobicContact CB-CD1 4.48Å; A495-L597 PolarHBondContact O-N 3.23Å; A495-V599 HydrophobicContact CB-CG2 3.56Å |
| 496 | S | 94.6 | Very high | 80.1 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.119 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.8 | 177.4 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | V478 K479 V595 | V478-S496 CarbonylContact C-O 3.58Å; V478-S496 WeakPolarHBondContact CA-O 3.4Å; K479-S496 PolarHBondContact N-O 2.91Å; K479-S496 PolarHBondContact O-N 2.89Å; S496-V595 CarbonylContact C-O 3.53Å; S496-V595 WeakPolarHBondContact CA-O 3.3Å; S496-V595 WeakPolarHBondContact CB-O 3.42Å |
| 497 | M | 91.6 | Very high | 77.2 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.02 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 137.2 | 173.4 | -167.6 | 165.7 | 67.2 | 0 | 0 | 110.2 | V467 S468 S476 V478 E499 N594 V595 L597 | V467-M497 HydrophobicContact CG1-SD 4.43Å; S468-M497 VanDerWaalsContact O-SD 3.39Å; S468-M497 WeakPolarHBondContact OG-CE 3.47Å; S476-M497 VanDerWaalsContact CB-SD 3.59Å; S476-M497 PolarHBondContact OG-SD 3.16Å; V478-M497 HydrophobicContact CG2-CG 4.49Å; M497-E499 HydrophobicContact CE-CG 4.11Å; M497-E499 VanDerWaalsContact CE-OE1 3.32Å; M497-E499 WeakPolarHBondContact CE-OE1 3.39Å; M497-N594 CarbonylContact O-C 3.43Å; M497-N594 VanDerWaalsContact O-CA 3.3Å; M497-N594 WeakPolarHBondContact O-CA 3.48Å; M497-V595 PolarHBondContact N-O 3.33Å; M497-V595 PolarHBondContact O-N 2.96Å; M497-L597 HydrophobicContact CB-CD1 4.08Å; M497-L597 HydrophobicContact CB-CD2 4.1Å; M497-L597 HydrophobicContact CB-CG 4.24Å |
| 498 | V | 87.9 | Confident | 74.2 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.109 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.3 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | Q470 K477 K479 V592 | Q470-V498 PolarHBondContact NE2-O 3.45Å; K477-V498 HydrophobicContact CB-CB 4.25Å; K477-V498 HydrophobicContact CB-CG2 4.48Å; K477-V498 WeakPolarHBondContact O-CB 3.35Å; K477-V498 WeakPolarHBondContact O-CG2 3.44Å; K477-V498 PolarHBondContact O-N 3.3Å; K479-V498 HydrophobicContact CD-CG2 4.1Å; K479-V498 HydrophobicContact CG-CG2 4.3Å; V498-V592 HydrophobicContact CG1-CG1 3.41Å; V498-V592 VanDerWaalsContact CG1-CG1 3.41Å |
| 499 | E | 82.3 | Confident | 71.3 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 140.8 | 174.3 | -68.3 | -166 | -173.2 | 0 | 0 | 112.1 | M497 V593 V595 | M497-E499 HydrophobicContact CE-CG 4.11Å; M497-E499 VanDerWaalsContact CE-OE1 3.32Å; M497-E499 WeakPolarHBondContact CE-OE1 3.39Å; E499-V593 PolarHBondContact N-O 3.16Å; E499-V593 PolarHBondContact O-N 2.85Å; E499-V595 HydrophobicContact CG-CG2 4.13Å |
| 500 | K | 76 | Confident | 68.3 | Low | 87 Ų | 87 | 74.5 Ų | 74.5 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.7 | 170.1 | -56.8 | 165 | -173.6 | 144.5 | 0 | 107.6 | D472 E474 I590 | D472-K500 IonicContact OD2-NZ 2.67Å; D472-K500 PolarHBondContact OD2-NZ 3.25Å; D472-K500 VanDerWaalsContact OD2-NZ 3.08Å; E474-K500 IonicContact OE2-NZ 2.76Å; E474-K500 PolarHBondContact OE2-NZ 3.38Å; E474-K500 VanDerWaalsContact OE2-NZ 3.12Å; K500-I590 HydrophobicContact CB-CG2 3.9Å; K500-I590 HydrophobicContact CG-CG2 4.44Å |
| 501 | V | 68.8 | Low | 65.2 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 30% | 0.303 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120 | 173 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | T503 K591 V593 | V501-T503 PolarHBondContact O-N 2.94Å; V501-K591 PolarHBondContact N-O 3.29Å; V501-K591 PolarHBondContact O-N 2.84Å; V501-V593 HydrophobicContact CG2-CB 4.38Å; V501-V593 HydrophobicContact CG2-CG2 3.71Å |
| 502 | P | 57.5 | Low | 62.2 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -58 | 134.8 | 167.7 | -20.3 | 32.7 | 0 | 0 | 0 | 109.3 | ||
| 503 | T | 47.3 | Very low | 59 | Low | 87 Ų | 87 | 91.9 Ų | 91.9 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -89 | 118.3 | 169.7 | -56.8 | 0 | 0 | 0 | 0 | 106.7 | V501 K589 | V501-T503 PolarHBondContact O-N 2.94Å; T503-K589 PolarHBondContact OG1-O 3.36Å |
| 504 | E | 45.2 | Very low | 55.9 | Low | 184 Ų | 184 | 97.4 Ų | 97.4 | 86% | 0.86 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127.5 | 168.8 | -68.5 | 174.1 | 169.2 | 0 | 0 | 107.7 | D506 | E504-D506 PolarHBondContact O-N 3.2Š|
| 505 | E | 41 | Very low | 52.7 | Low | 187 Ų | 187 | 104 Ų | 104 | 87% | 0.874 | 59% | 0.591 | S | S | * | * | trans | -88.4 | 99 | 173.8 | -67.8 | -177.1 | 153.8 | 0 | 0 | 107.2 | ||||
| 506 | D | 34.7 | Very low | 49.4 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | trans | -88.8 | 119.8 | 176.6 | -166.7 | 23.3 | 0 | 0 | 0 | 109.1 | E504 | E504-D506 PolarHBondContact O-N 3.2Š| ||
| 507 | D | 34.2 | Very low | 46.1 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -119.3 | 86.2 | -158.1 | -161.5 | 17.4 | 0 | 0 | 0 | 113.2 | ||||
| 508 | G | 35.8 | Very low | 43.5 | Very low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | 100.8 | 153.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 509 | S | 33.5 | Very low | 40.6 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | cis | -168.8 | 144.6 | -5.2 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 510 | S | 33.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 63.7 | 158.7 | 165.9 | 71.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 511 | V | 32.4 | Very low | 35.5 | Very low | 139 Ų | 139 | 139 Ų | 139 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | cis | -136.5 | 173.1 | 10.4 | -144 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 512 | E | 32.9 | Very low | 33.6 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -81.5 | 152.2 | -174.5 | -55.2 | 166.1 | 136.5 | 0 | 0 | 115.1 | ||||
| 513 | A | 28.9 | Very low | 32 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -169.4 | 146.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 514 | D | 26.9 | Very low | 31.1 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -83.3 | 150.8 | -175.8 | -55.8 | -78.5 | 0 | 0 | 0 | 115.5 | ||||
| 515 | M | 26.8 | Very low | 30.2 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 97% | 0.966 | 83% | 0.829 | S | S | * | * | -173.6 | 161.6 | 116.5 | -103.6 | -170 | 174.8 | 0 | 0 | 113.6 | |||||
| 516 | E | 25.2 | Very low | 29.4 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -97.6 | 145.6 | -171.4 | -64.9 | -174.6 | 103.4 | 0 | 0 | 115.4 | ||||
| 517 | C | 26.5 | Very low | 29 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 63.4 | 173.1 | 147.4 | -72.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 518 | P | 36.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -125.4 | -177.4 | -10.6 | 35.4 | -16.8 | 0 | 0 | 0 | 115.1 | ||||
| 519 | N | 26.7 | Very low | 28.3 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 130.4 | 166.6 | 176 | 22.4 | 0 | 0 | 0 | 115.3 | ||||
| 520 | Q | 26.4 | Very low | 28 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 175.3 | -175.9 | 126.4 | -95.8 | -168 | 49.7 | 0 | 0 | 116.3 | |||||
| 521 | K | 24.8 | Very low | 27.6 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 161.2 | -164.9 | -71.2 | 174.7 | 177.1 | 175.5 | 0 | 116.4 | ||||
| 522 | P | 28.8 | Very low | 27.2 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 156.1 | 171.5 | 33.9 | -37.1 | 0 | 0 | 0 | 113.6 | ||||
| 523 | A | 24.1 | Very low | 26.9 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -146.9 | 171.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 524 | E | 27.9 | Very low | 26.7 | Very low | 199 Ų | 199 | 143 Ų | 143 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -89.1 | -169.7 | -166.4 | -64.1 | 174.4 | 121.4 | 0 | 0 | 114.3 | ||||
| 525 | S | 26.2 | Very low | 26.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 170.4 | -167.2 | 52.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 526 | S | 25.1 | Very low | 26.6 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -53 | 160.3 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 527 | D | 26.4 | Very low | 26.6 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | -163.1 | 156.2 | 53 | -106.2 | -57.9 | 0 | 0 | 0 | 118.3 | |||||
| 528 | V | 28 | Very low | 26.6 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 76.9 | 127.6 | 145.7 | 170.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 529 | D | 26.7 | Very low | 26.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 106.3 | 152.2 | -81.8 | 5.8 | 0 | 0 | 0 | 126.8 | ||||
| 530 | K | 26.9 | Very low | 26.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 74% | 0.735 | 75% | 0.753 | S | S | * | * | 38.6 | 132.4 | 123.6 | -49.3 | -177.7 | -166.2 | 84.4 | 0 | 118.7 | |||||
| 531 | N | 26.3 | Very low | 26 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | 179.9 | 153.9 | 49.7 | -161.2 | 4.8 | 0 | 0 | 0 | 111.7 | ||||
| 532 | S | 24.3 | Very low | 26 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -11.8 | 150.4 | 161.3 | -36.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 533 | Q | 25.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | -171.8 | 139.2 | 56.9 | -135.5 | 175.3 | -33.7 | 0 | 0 | 116.1 | |||||
| 534 | Q | 25 | Very low | 26.8 | Very low | 137 Ų | 137 | 132 Ų | 132 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | trans | 55.2 | 120.4 | 138.5 | -75 | -178.9 | -97.3 | 0 | 0 | 127.2 | ||||
| 535 | D | 25.2 | Very low | 26.5 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | 101.9 | 122.9 | 115.3 | -66.8 | -2.2 | 0 | 0 | 0 | 126.9 | |||||
| 536 | N | 26 | Very low | 26.5 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | 93.6 | 116.9 | 128.8 | -81.5 | -15.2 | 0 | 0 | 0 | 126.4 | |||||
| 537 | S | 26.2 | Very low | 26.6 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 55.7 | 152.3 | 125.6 | 71.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 538 | E | 27.1 | Very low | 26.6 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | cis | -165.4 | 159.8 | -9.9 | -117.2 | -171.5 | 145.7 | 0 | 0 | 113.7 | ||||
| 539 | A | 27.9 | Very low | 26.3 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | 32.4 | 139.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 540 | G | 24.1 | Very low | 26.3 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 117.3 | 151.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 541 | T | 24.6 | Very low | 26.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 164.1 | -15.4 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 542 | Q | 24.4 | Very low | 26.1 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -90.5 | -169.9 | 179.3 | -91.8 | -171 | 4 | 0 | 0 | 113.5 | ||||
| 543 | P | 42.7 | Very low | 26.2 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -155.4 | 174.5 | 23 | 47 | -24.6 | 0 | 0 | 0 | 123 | ||||
| 544 | Q | 27.5 | Very low | 26.2 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 45.9 | 141.1 | 138.2 | -72.3 | 178.5 | -29 | 0 | 0 | 127.1 | ||||
| 545 | V | 22 | Very low | 26.2 | Very low | 149 Ų | 149 | 135 Ų | 135 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | -142.5 | 164.8 | 126.5 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 546 | Q | 25.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -138.8 | -178.1 | -168.9 | -94.7 | -169.5 | -29.8 | 0 | 0 | 115.1 | ||||
| 547 | T | 27.2 | Very low | 26.8 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 91.1 | 141.6 | 161.3 | 78.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 548 | D | 25.4 | Very low | 26.7 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | cis | -159.9 | 171.2 | -16 | -124.8 | -46.4 | 0 | 0 | 0 | 112.9 | ||||
| 549 | G | 23.2 | Very low | 26.8 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 133.3 | 127.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 550 | Q | 25.2 | Very low | 26.7 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -116.4 | 150.4 | 172.2 | -63.7 | 177.5 | -24.2 | 0 | 0 | 111.2 | ||||
| 551 | Q | 25.3 | Very low | 27 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | 175.1 | 149.9 | 112.1 | -97.1 | -173.5 | 5.6 | 0 | 0 | 116.2 | |||||
| 552 | T | 24.3 | Very low | 27.5 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 48.1 | 122.6 | 152.1 | 56.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 553 | S | 26.1 | Very low | 27.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -60.9 | 146.7 | 155.7 | 52.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 554 | Q | 25.1 | Very low | 26.5 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -164.1 | 142.4 | 139.7 | -112.6 | 168.5 | 33.8 | 0 | 0 | 112 | ||||
| 555 | S | 26.3 | Very low | 26.4 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -117.8 | 124.4 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 556 | P | 31.3 | Very low | 26.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86 | 157.9 | 171.1 | 33.1 | -31.7 | 0 | 0 | 0 | 112.2 | ||
| 557 | P | 30.4 | Very low | 26.5 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 167.1 | -163.9 | 39.3 | -36.9 | 0 | 0 | 0 | 115.6 | ||
| 558 | S | 24.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 146.3 | 164.9 | -55.7 | 0 | 0 | 0 | 0 | 112 | ||
| 559 | P | 30.3 | Very low | 26.6 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 158.9 | 171.7 | 35.2 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 560 | E | 24.7 | Very low | 26.7 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -116 | 140.2 | -179.2 | -82.5 | -167.5 | 140.2 | 0 | 0 | 113.7 | ||||
| 561 | L | 31.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 59.3 | 164.2 | 144.2 | -55.1 | 171.1 | 0 | 0 | 0 | 118.2 | ||||
| 562 | P | 33.6 | Very low | 26.9 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -145.2 | 163.7 | 81.7 | 39.4 | -22.7 | 0 | 0 | 0 | 116 | |||||
| 563 | S | 23.2 | Very low | 27.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -152.4 | 125.5 | 150.8 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 564 | E | 24.7 | Very low | 27.2 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 168.4 | 177.1 | -58.7 | 164 | 149.8 | 0 | 0 | 111.1 | ||||
| 565 | E | 23.6 | Very low | 27.2 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | cis | -156.7 | 164.5 | -3.2 | -131.5 | -174 | -171.7 | 0 | 0 | 105.1 | ||||
| 566 | N | 25.4 | Very low | 27.3 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 51% | 0.513 | 79% | 0.785 | S | S | . | * | 178.6 | 144.6 | 57.7 | -132.7 | -58.7 | 0 | 0 | 0 | 111.2 | |||||
| 567 | K | 25.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 47.5 | 120.9 | 151.4 | -72.2 | 163.7 | -169.8 | 117.4 | 0 | 123.3 | ||||
| 568 | I | 22.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -137.8 | 139.7 | 133.2 | -54.4 | -179.3 | 0 | 0 | 0 | 108 | ||||
| 569 | P | 32.4 | Very low | 27.4 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -94.7 | 175.7 | 172.2 | 37.4 | -33.8 | 0 | 0 | 0 | 114.1 | ||||
| 570 | D | 25.6 | Very low | 27.5 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -84.9 | 171.7 | -157.7 | -140.6 | -27.6 | 0 | 0 | 0 | 117.4 | ||||
| 571 | A | 27.9 | Very low | 27.8 | Very low | 82 Ų | 82 | 149.4 Ų | 149.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 15.2 | 151.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 572 | D | 26.9 | Very low | 28 | Very low | 123 Ų | 123 | 148 Ų | 148 | 66% | 0.658 | 79% | 0.79 | S | S | * | * | cis | -163.6 | -172.3 | 41.2 | -160.4 | 0.6 | 0 | 0 | 0 | 113.2 | ||||
| 573 | K | 28.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | -53.5 | 149.9 | -169 | -40.5 | 112.9 | -176.2 | 118.2 | 0 | 117.6 | ||||
| 574 | A | 27.4 | Very low | 28.9 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | -154.7 | 160.2 | 125.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 575 | N | 25.9 | Very low | 29.5 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -121 | 119.8 | -175 | -178.6 | 21.8 | 0 | 0 | 0 | 110.1 | ||||
| 576 | E | 28.5 | Very low | 30.6 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -151.1 | 165.5 | 168 | -135.7 | 166.6 | -143 | 0 | 0 | 114.1 | ||||
| 577 | K | 29.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -83.7 | 136 | -153.5 | -61.9 | 160.7 | -177.3 | 165.4 | 0 | 113.3 | ||||
| 578 | K | 27.6 | Very low | 32.4 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -88.3 | 138.2 | 153.9 | -79.7 | -170.3 | 173.8 | -175.3 | 0 | 110.2 | ||||
| 579 | V | 31.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -130 | 132.8 | 164.9 | 175.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 580 | D | 31.1 | Very low | 35.2 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 32.5 | 111.8 | 164.7 | -52.9 | -29 | 0 | 0 | 0 | 120.5 | ||||
| 581 | Q | 32.1 | Very low | 37.1 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -128.5 | 150.7 | 135.8 | -75.9 | -169.5 | -7.1 | 0 | 0 | 109.4 | ||||
| 582 | P | 35.2 | Very low | 39.3 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 159.6 | -171.9 | -14.4 | 30.7 | 0 | 0 | 0 | 113.1 | ||
| 583 | P | 37.1 | Very low | 41.9 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.8 | 172.8 | 29.1 | -34 | 0 | 0 | 0 | 111.4 | A585 | P583-A585 PolarHBondContact O-N 3.4Š|
| 584 | E | 38.3 | Very low | 44.6 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133 | 167.7 | -72.3 | -164.1 | 123.9 | 0 | 0 | 110.6 | K586 | E584-K586 PolarHBondContact O-N 3.44Š|
| 585 | A | 37.5 | Very low | 47.5 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P583 K587 | P583-A585 PolarHBondContact O-N 3.4Å; A585-K587 PolarHBondContact O-N 2.9Å; A585-K587 VanDerWaalsContact O-N 3.12Å |
| 586 | K | 45.6 | Very low | 50.7 | Low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.3 | 169.7 | -69.5 | 177.5 | -179.2 | 172.7 | 0 | 108.9 | E584 | E584-K586 PolarHBondContact O-N 3.44Š|
| 587 | K | 42.5 | Very low | 53.8 | Low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.6 | 175.1 | -66.9 | 178 | -178.8 | 173.6 | 0 | 109.3 | A585 | A585-K587 PolarHBondContact O-N 2.9Å; A585-K587 VanDerWaalsContact O-N 3.12Å |
| 588 | P | 45.9 | Very low | 56.9 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.7 | -177.9 | 26 | -34.5 | 0 | 0 | 0 | 111.4 | I590 | P588-I590 PolarHBondContact O-N 2.9Š|
| 589 | K | 53.4 | Low | 60.1 | Low | 195 Ų | 195 | 117.3 Ų | 117.3 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | trans | -73.7 | 88.9 | 176.6 | -73 | -179.9 | 178.6 | 174.1 | 0 | 110.2 | T503 K591 | T503-K589 PolarHBondContact OG1-O 3.36Å; K589-K591 PolarHBondContact O-N 3.21Å | ||
| 590 | I | 60.8 | Low | 63.1 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 123 | 175.1 | -59.4 | 173.6 | 0 | 0 | 0 | 109.5 | K500 P588 | K500-I590 HydrophobicContact CB-CG2 3.9Å; K500-I590 HydrophobicContact CG-CG2 4.44Å; P588-I590 PolarHBondContact O-N 2.9Å |
| 591 | K | 65.3 | Low | 66.1 | Low | 142 Ų | 142 | 112 Ų | 112 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82 | 122.6 | 173.2 | -169.2 | 173.3 | -178.7 | 178.8 | 0 | 108.5 | V501 K589 | V501-K591 PolarHBondContact N-O 3.29Å; V501-K591 PolarHBondContact O-N 2.84Å; K589-K591 PolarHBondContact O-N 3.21Å |
| 592 | V | 74.7 | Confident | 68.9 | Low | 84 Ų | 84 | 107.9 Ų | 107.9 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.5 | -177.2 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | V498 | V498-V592 HydrophobicContact CG1-CG1 3.41Å; V498-V592 VanDerWaalsContact CG1-CG1 3.41Å |
| 593 | V | 82.1 | Confident | 71.7 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 35% | 0.352 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.2 | 176 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | E499 V501 V595 | E499-V593 PolarHBondContact N-O 3.16Å; E499-V593 PolarHBondContact O-N 2.85Å; V501-V593 HydrophobicContact CG2-CB 4.38Å; V501-V593 HydrophobicContact CG2-CG2 3.71Å; V593-V595 HydrophobicContact CG1-CG2 4.34Å |
| 594 | N | 84.3 | Confident | 74 | Confident | 82 Ų | 82 | 99 Ų | 99 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.7 | 167 | -48.4 | -86 | 0 | 0 | 0 | 107.4 | K479 M497 | K479-N594 PolarHBondContact NZ-OD1 3.21Å; M497-N594 CarbonylContact O-C 3.43Å; M497-N594 VanDerWaalsContact O-CA 3.3Å; M497-N594 WeakPolarHBondContact O-CA 3.48Å |
| 595 | V | 88.5 | Confident | 76.4 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.7 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | S496 M497 E499 V593 | S496-V595 CarbonylContact C-O 3.53Å; S496-V595 WeakPolarHBondContact CA-O 3.3Å; S496-V595 WeakPolarHBondContact CB-O 3.42Å; M497-V595 PolarHBondContact N-O 3.33Å; M497-V595 PolarHBondContact O-N 2.96Å; E499-V595 HydrophobicContact CG-CG2 4.13Å; V593-V595 HydrophobicContact CG1-CG2 4.34Å |
| 596 | E | 92.7 | Very high | 78.9 | Confident | 150 Ų | 150 | 91.6 Ų | 91.6 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 143.4 | 176.2 | -63.8 | -156.9 | 140 | 0 | 0 | 111.4 | ||
| 597 | L | 93.7 | Very high | 81.2 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | trans | -116.4 | 134.7 | -175 | -61 | 173.5 | 0 | 0 | 0 | 110.1 | V464 N466 V467 V478 A495 M497 | V464-L597 HydrophobicContact CG1-CB 4.09Å; V464-L597 HydrophobicContact CG1-CD1 3.7Å; N466-L597 HydrophobicContact CB-CD2 4.49Å; V467-L597 HydrophobicContact CG2-CD1 3.63Å; V478-L597 HydrophobicContact CG1-CD1 3.63Å; V478-L597 HydrophobicContact CG2-CD1 4.34Å; A495-L597 HydrophobicContact CB-CB 4.06Å; A495-L597 HydrophobicContact CB-CD1 4.48Å; A495-L597 PolarHBondContact O-N 3.23Å; M497-L597 HydrophobicContact CB-CD1 4.08Å; M497-L597 HydrophobicContact CB-CD2 4.1Å; M497-L597 HydrophobicContact CB-CG 4.24Å | ||
| 598 | P | 94.8 | Very high | 83.5 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 34% | 0.344 | 41% | 0.406 | S | S | . | . | trans | -64.7 | 140.2 | 171.4 | 14.5 | -11.6 | 0 | 0 | 0 | 110.6 | Q465 N466 | Q465-P598 HydrophobicContact CB-CB 4.42Å; Q465-P598 HydrophobicContact CB-CG 4.01Å; Q465-P598 PolarHBondContact N-O 3.05Å; N466-P598 HydrophobicContact CB-CG 4.42Å | ||
| 599 | V | 94.9 | Very high | 85.8 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115.1 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | F462 V463 V464 I492 A495 | F462-V599 HydrophobicContact CB-CG1 4.12Å; F462-V599 HydrophobicContact CD1-CG1 4.41Å; V463-V599 WeakPolarHBondContact O-CA 3.1Å; V464-V599 HydrophobicContact CG2-CG2 4.4Å; I492-V599 HydrophobicContact CB-CG1 4.22Å; I492-V599 HydrophobicContact CD1-CG1 4.23Å; I492-V599 HydrophobicContact CG2-CG1 4.3Å; I492-V599 HydrophobicContact CG2-CG2 4.14Å; A495-V599 HydrophobicContact CB-CG2 3.56Å |
| 600 | E | 94.1 | Very high | 87.7 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.4 | 171.8 | -176.8 | -176.1 | 171.3 | 0 | 0 | 108.8 | F462 V463 Q465 | F462-E600 CarbonylContact C-O 3.58Å; F462-E600 VanDerWaalsContact CA-O 3.28Å; F462-E600 WeakPolarHBondContact CA-O 3.34Å; V463-E600 HydrophobicContact CB-CB 4.36Å; V463-E600 PolarHBondContact N-O 3.22Å; V463-E600 PolarHBondContact O-N 3.34Å; Q465-E600 PolarHBondContact NE2-OE2 2.97Å |
| 601 | A | 93.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F462 L603 | F462-A601 HydrophobicContact CD1-CB 3.63Å; F462-A601 HydrophobicContact CE1-CB 3.69Å; A601-L603 HydrophobicContact CB-CD1 4.11Å; A601-L603 HydrophobicContact CB-CG 4.14Å |
| 602 | N | 92.5 | Very high | 90.8 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109 | 170.7 | -175.7 | -20.5 | 0 | 0 | 0 | 107.7 | G460 R461 | G460-N602 CarbonylContact C-O 3.57Å; G460-N602 WeakPolarHBondContact CA-O 3.25Å; R461-N602 HydrophobicContact CB-CB 4.38Å; R461-N602 PolarHBondContact N-O 3.02Å; R461-N602 PolarHBondContact O-N 3.48Å |
| 603 | L | 92.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.3 | -162.6 | -68.2 | 162.3 | 0 | 0 | 0 | 110.6 | F462 A601 W605 Q606 | F462-L603 HydrophobicContact CE1-CD2 3.94Å; F462-L603 HydrophobicContact CE2-CD2 4.49Å; F462-L603 HydrophobicContact CZ-CD2 3.61Å; A601-L603 HydrophobicContact CB-CD1 4.11Å; A601-L603 HydrophobicContact CB-CG 4.14Å; L603-W605 PolarHBondContact O-N 2.88Å; L603-Q606 HydrophobicContact CB-CB 4.21Å |
| 604 | V | 87 | Confident | 92.6 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 126.8 | -169.9 | 176 | 0 | 0 | 0 | 0 | 110.5 | E456 K458 I459 Q606 | E456-V604 HydrophobicContact CG-CG1 3.72Å; K458-V604 HydrophobicContact CB-CG2 4.18Å; K458-V604 HydrophobicContact CD-CG2 4.05Å; K458-V604 HydrophobicContact CG-CG2 3.91Å; I459-V604 PolarHBondContact O-N 3.13Å; I459-V604 VanDerWaalsContact O-N 3.17Å; V604-Q606 PolarHBondContact O-N 2.82Å; V604-Q606 VanDerWaalsContact O-N 3.14Å |
| 605 | W | 88.1 | Confident | 93.3 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 10.3 | -176.9 | -55.4 | 112.1 | 0 | 0 | 0 | 117.9 | G72 A74 N96 A151 Y454 L603 | G72-W605 VanDerWaalsContact O-CG 3.29Å; A74-W605 HydrophobicContact CB-CH2 3.91Å; A74-W605 HydrophobicContact CB-CZ2 3.48Å; A74-W605 VanDerWaalsContact CB-CZ2 3.48Å; N96-W605 WeakPolarHBondContact O-CZ3 3.15Å; A151-W605 HydrophobicContact CB-CB 4.28Å; Y454-W605 VanDerWaalsContact OH-CD1 3.22Å; Y454-W605 PolarHBondContact OH-NE1 2.91Å; L603-W605 PolarHBondContact O-N 2.88Å |
| 606 | Q | 90.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -75 | 144.9 | 173 | -169.4 | 164.2 | 18.4 | 0 | 0 | 112 | R154 D158 L603 V604 | R154-Q606 HydrophobicContact CB-CB 4.46Å; R154-Q606 HydrophobicContact CB-CG 4.33Å; D158-Q606 PolarHBondContact OD1-NE2 3.02Å; D158-Q606 WeakPolarHBondContact OD2-CG 3.33Å; L603-Q606 HydrophobicContact CB-CB 4.21Å; V604-Q606 PolarHBondContact O-N 2.82Å; V604-Q606 VanDerWaalsContact O-N 3.14Å |
| 607 | L | 92.4 | Very high | 94 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 136 | 175.1 | -59.4 | -173.8 | 0 | 0 | 0 | 112.1 | E115 D158 L611 L612 Y615 | E115-L607 HydrophobicContact CB-CD1 4.03Å; E115-L607 HydrophobicContact CG-CD1 3.87Å; E115-L607 HydrophobicContact CG-CG 4.24Å; D158-L607 HydrophobicContact CB-CD1 4.15Å; D158-L607 HydrophobicContact CB-CG 4.33Å; D158-L607 WeakPolarHBondContact OD2-CB 3.35Å; D158-L607 WeakPolarHBondContact OD2-CG 3.45Å; D158-L607 PolarHBondContact OD2-N 3.39Å; L607-L611 HydrophobicContact CD2-CD2 4.05Å; L607-L612 HydrophobicContact CB-CB 4.41Å; L607-L612 HydrophobicContact CD1-CD1 4.21Å; L607-Y615 HydrophobicContact CD1-CD2 3.61Å; L607-Y615 HydrophobicContact CD1-CE2 3.64Å; L607-Y615 HydrophobicContact CD2-CE2 4.28Å |
| 608 | G | 91.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 146 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | D610 L611 L612 | G608-D610 VanDerWaalsContact C-N 3.28Å; G608-D610 PolarHBondContact O-N 2.61Å; G608-L611 WeakPolarHBondContact O-CB 3.41Å; G608-L611 PolarHBondContact O-N 2.86Å; G608-L612 PolarHBondContact O-N 3.11Å |
| 609 | R | 93 | Very high | 94.4 | Very high | 210 Ų | 210 | 65.2 Ų | 65.2 | 79% | 0.792 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -53.5 | -41.2 | -173.4 | -67 | -177.6 | -178.7 | 174.1 | 1 | 113.6 | L612 N613 | R609-L612 PolarHBondContact O-N 3.04Å; R609-N613 WeakPolarHBondContact O-CB 3.28Å; R609-N613 PolarHBondContact O-N 3.24Å; R609-N613 PolarHBondContact O-ND2 2.99Å |
| 610 | D | 94.7 | Very high | 94.5 | Very high | 135 Ų | 135 | 64.9 Ų | 64.9 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.8 | -37.2 | -177.9 | -48.5 | -41.9 | 0 | 0 | 0 | 111.8 | G608 M614 | G608-D610 VanDerWaalsContact C-N 3.28Å; G608-D610 PolarHBondContact O-N 2.61Å; D610-M614 WeakPolarHBondContact O-CB 3.45Å; D610-M614 PolarHBondContact O-N 2.95Å |
| 611 | L | 94.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 66 Ų | 66 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 174.9 | -175.7 | 63.5 | 0 | 0 | 0 | 111.3 | L607 G608 M614 Y615 | L607-L611 HydrophobicContact CD2-CD2 4.05Å; G608-L611 WeakPolarHBondContact O-CB 3.41Å; G608-L611 PolarHBondContact O-N 2.86Å; L611-M614 HydrophobicContact CD1-CE 3.66Å; L611-M614 WeakPolarHBondContact O-CB 3.39Å; L611-M614 PolarHBondContact O-N 2.9Å; L611-Y615 HydrophobicContact CD1-CD1 4.45Å; L611-Y615 HydrophobicContact CD1-CE1 3.81Å; L611-Y615 HydrophobicContact CD1-CE2 4.34Å; L611-Y615 HydrophobicContact CD2-CE2 4.37Å; L611-Y615 HydrophobicContact CG-CD2 4.49Å; L611-Y615 HydrophobicContact CG-CE1 4.31Å; L611-Y615 HydrophobicContact CG-CE2 3.97Å; L611-Y615 VanDerWaalsContact O-CG 3.3Å; L611-Y615 PolarHBondContact O-N 2.83Å |
| 612 | L | 96 | Very high | 94.9 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175.4 | -175.7 | 57.4 | 0 | 0 | 0 | 111.8 | D158 Q161 I162 L607 G608 R609 Y615 I616 | D158-L612 HydrophobicContact CB-CD1 4.26Å; Q161-L612 HydrophobicContact CG-CD2 4.19Å; I162-L612 HydrophobicContact CD1-CD1 4.29Å; I162-L612 HydrophobicContact CG1-CD1 3.64Å; L607-L612 HydrophobicContact CB-CB 4.41Å; L607-L612 HydrophobicContact CD1-CD1 4.21Å; G608-L612 PolarHBondContact O-N 3.11Å; R609-L612 PolarHBondContact O-N 3.04Å; L612-Y615 PolarHBondContact O-N 2.69Å; L612-I616 WeakPolarHBondContact O-CG1 3.42Å; L612-I616 PolarHBondContact O-N 3.34Å |
| 613 | N | 97.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.7 | -70 | -18.3 | 0 | 0 | 0 | 111.7 | R609 Y615 I616 E617 | R609-N613 WeakPolarHBondContact O-CB 3.28Å; R609-N613 PolarHBondContact O-N 3.24Å; R609-N613 PolarHBondContact O-ND2 2.99Å; N613-Y615 VanDerWaalsContact C-N 3.29Å; N613-Y615 PolarHBondContact O-N 2.66Å; N613-I616 WeakPolarHBondContact O-CB 3.44Å; N613-I616 PolarHBondContact O-N 3.33Å; N613-E617 PolarHBondContact O-N 3.02Å |
| 614 | M | 97.4 | Very high | 95.4 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 174 | -170.9 | -166.4 | 80.1 | 0 | 0 | 111.5 | D610 L611 E617 T618 | D610-M614 WeakPolarHBondContact O-CB 3.45Å; D610-M614 PolarHBondContact O-N 2.95Å; L611-M614 HydrophobicContact CD1-CE 3.66Å; L611-M614 WeakPolarHBondContact O-CB 3.39Å; L611-M614 PolarHBondContact O-N 2.9Å; M614-E617 PolarHBondContact O-N 3.42Å; M614-T618 PolarHBondContact O-N 3.5Å; M614-T618 PolarHBondContact O-OG1 2.9Å; M614-T618 VanDerWaalsContact O-OG1 3.09Å |
| 615 | Y | 97.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 66.7 Ų | 66.7 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 176.2 | -67.8 | -14.7 | 0 | 0 | 0 | 113.3 | M94 Q116 I162 L607 L611 L612 N613 E617 T618 E619 | M94-Y615 WeakPolarHBondContact CE-OH 3.43Å; Q116-Y615 HydrophobicContact CG-CD1 3.88Å; Q116-Y615 HydrophobicContact CG-CD2 3.67Å; Q116-Y615 HydrophobicContact CG-CE1 4.08Å; Q116-Y615 HydrophobicContact CG-CE2 3.9Å; Q116-Y615 HydrophobicContact CG-CG 3.66Å; Q116-Y615 VanDerWaalsContact NE2-CD1 3.31Å; Q116-Y615 VanDerWaalsContact OE1-CE1 3.25Å; I162-Y615 HydrophobicContact CD1-CD2 3.98Å; I162-Y615 HydrophobicContact CD1-CG 4.35Å; L607-Y615 HydrophobicContact CD1-CD2 3.61Å; L607-Y615 HydrophobicContact CD1-CE2 3.64Å; L607-Y615 HydrophobicContact CD2-CE2 4.28Å; L611-Y615 HydrophobicContact CD1-CD1 4.45Å; L611-Y615 HydrophobicContact CD1-CE1 3.81Å; L611-Y615 HydrophobicContact CD1-CE2 4.34Å; L611-Y615 HydrophobicContact CD2-CE2 4.37Å; L611-Y615 HydrophobicContact CG-CD2 4.49Å; L611-Y615 HydrophobicContact CG-CE1 4.31Å; L611-Y615 HydrophobicContact CG-CE2 3.97Å; L611-Y615 VanDerWaalsContact O-CG 3.3Å; L611-Y615 PolarHBondContact O-N 2.83Å; L612-Y615 PolarHBondContact O-N 2.69Å; N613-Y615 VanDerWaalsContact C-N 3.29Å; N613-Y615 PolarHBondContact O-N 2.66Å; Y615-E617 VanDerWaalsContact C-N 3.34Å; Y615-T618 PolarHBondContact O-N 2.8Å; Y615-E619 WeakPolarHBondContact O-CB 3.35Å; Y615-E619 PolarHBondContact O-N 3.19Å |
| 616 | I | 98.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 170.5 | -69 | 160.8 | 0 | 0 | 0 | 110.2 | Q161 L612 N613 G620 | Q161-I616 HydrophobicContact CG-CD1 4.45Å; L612-I616 WeakPolarHBondContact O-CG1 3.42Å; L612-I616 PolarHBondContact O-N 3.34Å; N613-I616 WeakPolarHBondContact O-CB 3.44Å; N613-I616 PolarHBondContact O-N 3.33Å; I616-G620 PolarHBondContact O-N 2.82Å |
| 617 | E | 98.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.6 | -79 | -168.7 | -143.9 | 0 | 0 | 113.3 | N613 M614 Y615 K621 | N613-E617 PolarHBondContact O-N 3.02Å; M614-E617 PolarHBondContact O-N 3.42Å; Y615-E617 VanDerWaalsContact C-N 3.34Å; E617-K621 VanDerWaalsContact O-CD 3.29Å; E617-K621 WeakPolarHBondContact O-CD 3.36Å; E617-K621 VanDerWaalsContact O-CG 3.24Å; E617-K621 WeakPolarHBondContact O-CG 3.44Å; E617-K621 PolarHBondContact O-N 2.65Å; E617-K621 VanDerWaalsContact O-N 3.1Å; E617-K621 IonicContact OE2-NZ 2.74Å; E617-K621 PolarHBondContact OE2-NZ 2.96Å |
| 618 | T | 97.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 70 Ų | 70 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 177.5 | -63.5 | 0 | 0 | 0 | 0 | 111 | M614 Y615 G620 K621 M622 | M614-T618 PolarHBondContact O-N 3.5Å; M614-T618 PolarHBondContact O-OG1 2.9Å; M614-T618 VanDerWaalsContact O-OG1 3.09Å; Y615-T618 PolarHBondContact O-N 2.8Å; T618-G620 VanDerWaalsContact C-N 3.34Å; T618-G620 PolarHBondContact O-N 3.48Å; T618-K621 PolarHBondContact O-N 2.85Å; T618-M622 HydrophobicContact CG2-SD 4.12Å; T618-M622 WeakPolarHBondContact O-CG 3.1Å; T618-M622 PolarHBondContact O-N 3.5Å |
| 619 | E | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 177.5 | 179 | 61.4 | -160.9 | 0 | 0 | 111.1 | R46 T123 I162 V163 Y615 K621 M622 I623 | R46-E619 IonicContact CZ-OE1 3.12Å; R46-E619 IonicContact CZ-OE2 3.91Å; R46-E619 VanDerWaalsContact NH1-CD 3.27Å; R46-E619 IonicContact NH1-OE1 2.6Å; R46-E619 PolarHBondContact NH1-OE1 2.86Å; R46-E619 IonicContact NH1-OE2 2.94Å; R46-E619 PolarHBondContact NH1-OE2 3.07Å; R46-E619 IonicContact NH2-OE1 2.71Å; R46-E619 PolarHBondContact NH2-OE1 3.23Å; R46-E619 IonicContact NH2-OE2 2.76Å; T123-E619 WeakPolarHBondContact CB-OE1 3.28Å; T123-E619 PolarHBondContact OG1-OE1 3.24Å; I162-E619 HydrophobicContact CG2-CB 3.61Å; I162-E619 HydrophobicContact CG2-CG 3.98Å; V163-E619 HydrophobicContact CG1-CG 4.3Å; Y615-E619 WeakPolarHBondContact O-CB 3.35Å; Y615-E619 PolarHBondContact O-N 3.19Å; E619-K621 VanDerWaalsContact C-N 3.31Å; E619-K621 PolarHBondContact O-N 2.75Å; E619-M622 PolarHBondContact O-N 3.26Å; E619-M622 VanDerWaalsContact O-N 3.13Å; E619-I623 HydrophobicContact CG-CD1 3.86Å; E619-I623 HydrophobicContact CG-CG1 4.34Å; E619-I623 VanDerWaalsContact O-CG1 3.32Å; E619-I623 WeakPolarHBondContact O-CG1 3.29Å; E619-I623 PolarHBondContact O-N 3.27Å; E619-I623 WeakPolarHBondContact OE1-CG1 3.19Å |
| 620 | G | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I616 T618 M624 | I616-G620 PolarHBondContact O-N 2.82Å; T618-G620 VanDerWaalsContact C-N 3.34Å; T618-G620 PolarHBondContact O-N 3.48Å; G620-M624 PolarHBondContact O-N 3.29Å; G620-M624 VanDerWaalsContact O-N 3.15Å |
| 621 | K | 98.1 | Very high | 97.2 | Very high | 126 Ų | 126 | 61.3 Ų | 61.3 | 55% | 0.548 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 173.9 | -69.5 | 158 | -166.5 | 160.7 | 0 | 111.3 | E617 T618 E619 M624 Q625 | E617-K621 VanDerWaalsContact O-CD 3.29Å; E617-K621 WeakPolarHBondContact O-CD 3.36Å; E617-K621 VanDerWaalsContact O-CG 3.24Å; E617-K621 WeakPolarHBondContact O-CG 3.44Å; E617-K621 PolarHBondContact O-N 2.65Å; E617-K621 VanDerWaalsContact O-N 3.1Å; E617-K621 IonicContact OE2-NZ 2.74Å; E617-K621 PolarHBondContact OE2-NZ 2.96Å; T618-K621 PolarHBondContact O-N 2.85Å; E619-K621 VanDerWaalsContact C-N 3.31Å; E619-K621 PolarHBondContact O-N 2.75Å; K621-M624 PolarHBondContact O-N 3.24Å; K621-Q625 PolarHBondContact O-N 3.31Å |
| 622 | M | 98.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.8 | -66.1 | 179.7 | 78.8 | 0 | 0 | 112.4 | F41 Y105 F112 M120 T618 E619 M624 Q625 D626 | F41-M622 HydrophobicContact CE1-CE 4.08Å; Y105-M622 HydrophobicContact CD1-CE 4.28Å; Y105-M622 HydrophobicContact CE1-CE 3.91Å; Y105-M622 HydrophobicContact CE2-CE 4.16Å; F112-M622 HydrophobicContact CE1-CE 4.13Å; F112-M622 HydrophobicContact CE1-SD 3.75Å; F112-M622 HydrophobicContact CE2-CE 4.48Å; F112-M622 HydrophobicContact CZ-CE 3.68Å; F112-M622 HydrophobicContact CZ-SD 3.89Å; M120-M622 HydrophobicContact CE-CE 3.81Å; M120-M622 HydrophobicContact CE-SD 3.89Å; M120-M622 HydrophobicContact SD-CE 4.16Å; T618-M622 HydrophobicContact CG2-SD 4.12Å; T618-M622 WeakPolarHBondContact O-CG 3.1Å; T618-M622 PolarHBondContact O-N 3.5Å; E619-M622 PolarHBondContact O-N 3.26Å; E619-M622 VanDerWaalsContact O-N 3.13Å; M622-M624 VanDerWaalsContact C-N 3.3Å; M622-M624 PolarHBondContact O-N 3.04Å; M622-Q625 PolarHBondContact O-N 2.88Å; M622-Q625 VanDerWaalsContact O-N 3.14Å; M622-D626 VanDerWaalsContact O-CG 3.31Å; M622-D626 PolarHBondContact O-N 2.7Å |
| 623 | I | 98.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 62 Ų | 62 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 173.5 | -68.4 | 170 | 0 | 0 | 0 | 111 | T123 E619 Q625 K627 | T123-I623 HydrophobicContact CG2-CD1 3.78Å; T123-I623 HydrophobicContact CG2-CG1 3.8Å; E619-I623 HydrophobicContact CG-CD1 3.86Å; E619-I623 HydrophobicContact CG-CG1 4.34Å; E619-I623 VanDerWaalsContact O-CG1 3.32Å; E619-I623 WeakPolarHBondContact O-CG1 3.29Å; E619-I623 PolarHBondContact O-N 3.27Å; E619-I623 WeakPolarHBondContact OE1-CG1 3.19Å; I623-Q625 VanDerWaalsContact C-N 3.35Å; I623-K627 VanDerWaalsContact O-CB 3.3Å; I623-K627 WeakPolarHBondContact O-CB 3.26Å; I623-K627 PolarHBondContact O-N 3.21Å |
| 624 | M | 97.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 49% | 0.493 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 177.6 | -172.2 | 63.3 | -175 | 0 | 0 | 111.8 | G620 K621 M622 K627 L628 | G620-M624 PolarHBondContact O-N 3.29Å; G620-M624 VanDerWaalsContact O-N 3.15Å; K621-M624 PolarHBondContact O-N 3.24Å; M622-M624 VanDerWaalsContact C-N 3.3Å; M622-M624 PolarHBondContact O-N 3.04Å; M624-K627 PolarHBondContact O-N 3.38Å; M624-L628 HydrophobicContact CE-CD1 4.14Å; M624-L628 HydrophobicContact CE-CD2 4.1Å; M624-L628 HydrophobicContact CE-CG 4.05Å; M624-L628 HydrophobicContact CG-CD1 4.23Å; M624-L628 WeakPolarHBondContact O-CB 3.33Å; M624-L628 VanDerWaalsContact O-CG 3.28Å; M624-L628 WeakPolarHBondContact O-CG 3.48Å; M624-L628 PolarHBondContact O-N 3.21Å |
| 625 | Q | 97.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -47.1 | 176.3 | 179.9 | 59.9 | 20.9 | 0 | 0 | 112.3 | K44 M106 K621 M622 I623 K627 L628 E629 | K44-Q625 WeakPolarHBondContact O-CG 3.37Å; K44-Q625 PolarHBondContact O-NE2 3.37Å; M106-Q625 HydrophobicContact CE-CG 4.25Å; M106-Q625 HydrophobicContact SD-CG 3.9Å; K621-Q625 PolarHBondContact O-N 3.31Å; M622-Q625 PolarHBondContact O-N 2.88Å; M622-Q625 VanDerWaalsContact O-N 3.14Å; I623-Q625 VanDerWaalsContact C-N 3.35Å; Q625-K627 VanDerWaalsContact C-N 3.26Å; Q625-K627 PolarHBondContact O-N 3.14Å; Q625-L628 PolarHBondContact O-N 2.9Å; Q625-E629 PolarHBondContact O-N 3.34Å |
| 626 | D | 97.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 174.9 | -67.1 | -33 | 0 | 0 | 0 | 111.2 | N45 R46 M622 K630 | N45-D626 WeakPolarHBondContact CB-OD1 3.12Å; R46-D626 WeakPolarHBondContact CG-OD1 3.49Å; R46-D626 VanDerWaalsContact CG-OD2 3.25Å; R46-D626 WeakPolarHBondContact CG-OD2 3.48Å; R46-D626 IonicContact CZ-OD2 2.71Å; R46-D626 PolarHBondContact N-OD1 2.89Å; R46-D626 IonicContact NE-OD2 3.42Å; R46-D626 PolarHBondContact NE-OD2 2.87Å; R46-D626 IonicContact NH2-OD2 3.23Å; R46-D626 PolarHBondContact NH2-OD2 3.01Å; M622-D626 VanDerWaalsContact O-CG 3.31Å; M622-D626 PolarHBondContact O-N 2.7Å; D626-K630 WeakPolarHBondContact O-CB 3.42Å; D626-K630 PolarHBondContact O-N 2.72Å |
| 627 | K | 96.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.1 | 178.8 | 177.9 | 169.8 | -179.1 | 0 | 112.3 | I623 M624 Q625 K630 E631 | I623-K627 VanDerWaalsContact O-CB 3.3Å; I623-K627 WeakPolarHBondContact O-CB 3.26Å; I623-K627 PolarHBondContact O-N 3.21Å; M624-K627 PolarHBondContact O-N 3.38Å; Q625-K627 VanDerWaalsContact C-N 3.26Å; Q625-K627 PolarHBondContact O-N 3.14Å; K627-K630 PolarHBondContact O-N 3.01Å; K627-E631 WeakPolarHBondContact CE-OE1 3.45Å; K627-E631 HydrophobicContact CG-CG 4.47Å; K627-E631 IonicContact NZ-OE1 3.9Å; K627-E631 WeakPolarHBondContact O-CB 3.46Å; K627-E631 WeakPolarHBondContact O-CG 3.48Å; K627-E631 PolarHBondContact O-N 3.45Å |
| 628 | L | 96.2 | Very high | 97 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.1 | -77 | 170.4 | 0 | 0 | 0 | 111.6 | M624 Q625 E631 R632 | M624-L628 HydrophobicContact CE-CD1 4.14Å; M624-L628 HydrophobicContact CE-CD2 4.1Å; M624-L628 HydrophobicContact CE-CG 4.05Å; M624-L628 HydrophobicContact CG-CD1 4.23Å; M624-L628 WeakPolarHBondContact O-CB 3.33Å; M624-L628 VanDerWaalsContact O-CG 3.28Å; M624-L628 WeakPolarHBondContact O-CG 3.48Å; M624-L628 PolarHBondContact O-N 3.21Å; Q625-L628 PolarHBondContact O-N 2.9Å; L628-E631 PolarHBondContact O-N 3.22Å; L628-R632 WeakPolarHBondContact O-CB 3.38Å; L628-R632 PolarHBondContact O-N 3.29Å |
| 629 | E | 96.3 | Very high | 97 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 176.3 | 178.5 | 56.1 | -161.7 | 0 | 0 | 111.5 | K44 N45 Q625 R632 N633 | K44-E629 HydrophobicContact CB-CG 3.97Å; K44-E629 WeakPolarHBondContact CD-OE1 3.42Å; N45-E629 HydrophobicContact CB-CB 4.04Å; N45-E629 HydrophobicContact CB-CG 3.96Å; Q625-E629 PolarHBondContact O-N 3.34Å; E629-R632 WeakPolarHBondContact O-CB 3.47Å; E629-R632 PolarHBondContact O-N 3.45Å; E629-R632 IonicContact OE1-CZ 2.62Å; E629-R632 IonicContact OE1-NE 2.7Å; E629-R632 IonicContact OE1-NH2 3.97Å; E629-R632 PolarHBondContact OE1-NH2 3.01Å; E629-R632 IonicContact OE2-CZ 2.7Å; E629-R632 IonicContact OE2-NE 3.11Å; E629-R632 PolarHBondContact OE2-NE 3.39Å; E629-R632 IonicContact OE2-NH2 3.26Å; E629-N633 PolarHBondContact O-N 2.96Å; E629-N633 VanDerWaalsContact O-N 3.08Å; E629-N633 PolarHBondContact O-ND2 3.41Å; E629-N633 PolarHBondContact OE1-ND2 3.03Å |
| 630 | K | 94.9 | Very high | 96.9 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.7 | -52.1 | 171 | -173.2 | -174.6 | 174 | -169 | 0 | 111.3 | D626 K627 R632 N633 D634 | D626-K630 WeakPolarHBondContact O-CB 3.42Å; D626-K630 PolarHBondContact O-N 2.72Å; K627-K630 PolarHBondContact O-N 3.01Å; K630-R632 PolarHBondContact O-N 2.92Å; K630-N633 PolarHBondContact O-N 3.05Å; K630-N633 VanDerWaalsContact O-N 3.1Å; K630-D634 WeakPolarHBondContact CE-OD2 3.48Å; K630-D634 IonicContact NZ-OD2 2.66Å; K630-D634 WeakPolarHBondContact O-CB 3.27Å; K630-D634 PolarHBondContact O-N 3.17Å |
| 631 | E | 96.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -23.8 | 180 | -76.3 | -173.8 | -164 | 0 | 0 | 113.4 | K627 L628 A635 K686 | K627-E631 WeakPolarHBondContact CE-OE1 3.45Å; K627-E631 HydrophobicContact CG-CG 4.47Å; K627-E631 IonicContact NZ-OE1 3.9Å; K627-E631 WeakPolarHBondContact O-CB 3.46Å; K627-E631 WeakPolarHBondContact O-CG 3.48Å; K627-E631 PolarHBondContact O-N 3.45Å; L628-E631 PolarHBondContact O-N 3.22Å; E631-A635 WeakPolarHBondContact O-CB 3.33Å; E631-A635 PolarHBondContact O-N 2.94Å; E631-K686 HydrophobicContact CB-CD 4.11Å; E631-K686 WeakPolarHBondContact O-CE 3.49Å; E631-K686 IonicContact OE2-NZ 3.83Å; E631-K686 PolarHBondContact OE2-NZ 2.88Å |
| 632 | R | 96.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.1 | -47.2 | 171.7 | -169.2 | -170.2 | 73.5 | 69.6 | 10.5 | 111.3 | L628 E629 K630 A635 K636 D683 Q684 K686 Y689 | L628-R632 WeakPolarHBondContact O-CB 3.38Å; L628-R632 PolarHBondContact O-N 3.29Å; E629-R632 WeakPolarHBondContact O-CB 3.47Å; E629-R632 PolarHBondContact O-N 3.45Å; E629-R632 IonicContact OE1-CZ 2.62Å; E629-R632 IonicContact OE1-NE 2.7Å; E629-R632 IonicContact OE1-NH2 3.97Å; E629-R632 PolarHBondContact OE1-NH2 3.01Å; E629-R632 IonicContact OE2-CZ 2.7Å; E629-R632 IonicContact OE2-NE 3.11Å; E629-R632 PolarHBondContact OE2-NE 3.39Å; E629-R632 IonicContact OE2-NH2 3.26Å; K630-R632 PolarHBondContact O-N 2.92Å; R632-A635 PolarHBondContact O-N 2.72Å; R632-K636 PolarHBondContact O-N 2.84Å; R632-D683 IonicContact CZ-OD1 2.7Å; R632-D683 IonicContact NH1-OD1 3.64Å; R632-D683 PolarHBondContact NH1-OD1 3.03Å; R632-D683 IonicContact NH2-OD1 2.97Å; R632-Q684 WeakPolarHBondContact CD-O 3.4Å; R632-Q684 PolarHBondContact NH1-O 3.41Å; R632-K686 HydrophobicContact CB-CB 4.4Å; R632-K686 HydrophobicContact CG-CB 4.35Å; R632-Y689 HydrophobicContact CG-CE2 4.16Å |
| 633 | N | 95.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178 | -67.7 | -59.2 | 0 | 0 | 0 | 112.2 | E629 K630 A635 K636 N637 | E629-N633 PolarHBondContact O-N 2.96Å; E629-N633 VanDerWaalsContact O-N 3.08Å; E629-N633 PolarHBondContact O-ND2 3.41Å; E629-N633 PolarHBondContact OE1-ND2 3.03Å; K630-N633 PolarHBondContact O-N 3.05Å; K630-N633 VanDerWaalsContact O-N 3.1Å; N633-A635 PolarHBondContact O-N 2.88Å; N633-K636 PolarHBondContact O-N 2.76Å; N633-K636 VanDerWaalsContact O-N 3.1Å; N633-N637 WeakPolarHBondContact O-CB 3.36Å; N633-N637 PolarHBondContact O-N 2.71Å; N633-N637 PolarHBondContact O-OD1 2.96Å |
| 634 | D | 96.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.6 | -37.1 | 172.9 | -70.9 | -12.5 | 0 | 0 | 0 | 110.8 | K630 A638 | K630-D634 WeakPolarHBondContact CE-OD2 3.48Å; K630-D634 IonicContact NZ-OD2 2.66Å; K630-D634 WeakPolarHBondContact O-CB 3.27Å; K630-D634 PolarHBondContact O-N 3.17Å; D634-A638 WeakPolarHBondContact O-CB 3.48Å; D634-A638 PolarHBondContact O-N 3.01Å; D634-A638 VanDerWaalsContact O-N 3.14Å |
| 635 | A | 97.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.4 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E631 R632 N633 A638 V639 K686 Y689 | E631-A635 WeakPolarHBondContact O-CB 3.33Å; E631-A635 PolarHBondContact O-N 2.94Å; R632-A635 PolarHBondContact O-N 2.72Å; N633-A635 PolarHBondContact O-N 2.88Å; A635-A638 PolarHBondContact O-N 3.11Å; A635-V639 PolarHBondContact O-N 3.08Å; A635-K686 HydrophobicContact CB-CG 4Å; A635-Y689 HydrophobicContact CB-CD2 4.49Å |
| 636 | K | 97 | Very high | 96.2 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 173.2 | -173.9 | 179.5 | -176.6 | 178 | 0 | 110.9 | R632 N633 A638 V639 E640 L677 E682 Y689 | R632-K636 PolarHBondContact O-N 2.84Å; N633-K636 PolarHBondContact O-N 2.76Å; N633-K636 VanDerWaalsContact O-N 3.1Å; K636-A638 PolarHBondContact O-N 2.97Å; K636-V639 WeakPolarHBondContact O-CB 3.41Å; K636-V639 PolarHBondContact O-N 2.75Å; K636-E640 PolarHBondContact O-N 3.16Å; K636-E640 VanDerWaalsContact O-N 3.13Å; K636-L677 HydrophobicContact CG-CD2 3.81Å; K636-L677 PolarHBondContact NZ-O 3.41Å; K636-E682 PolarHBondContact NZ-O 3.1Å; K636-Y689 HydrophobicContact CB-CD1 4.08Å; K636-Y689 HydrophobicContact CB-CD2 4.01Å; K636-Y689 HydrophobicContact CB-CE1 3.95Å; K636-Y689 HydrophobicContact CB-CE2 3.86Å; K636-Y689 HydrophobicContact CB-CG 4.13Å; K636-Y689 HydrophobicContact CD-CE1 4.15Å; K636-Y689 HydrophobicContact CG-CD1 4.12Å; K636-Y689 HydrophobicContact CG-CE1 3.68Å; K636-Y689 HydrophobicContact CG-CE2 4.38Å |
| 637 | N | 96.6 | Very high | 96 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | 179.8 | -62 | -3.4 | 0 | 0 | 0 | 111.9 | N633 V639 E640 E641 | N633-N637 WeakPolarHBondContact O-CB 3.36Å; N633-N637 PolarHBondContact O-N 2.71Å; N633-N637 PolarHBondContact O-OD1 2.96Å; N637-V639 VanDerWaalsContact C-N 3.34Å; N637-V639 PolarHBondContact O-N 3.41Å; N637-E640 PolarHBondContact O-N 2.86Å; N637-E641 WeakPolarHBondContact O-CB 3.29Å; N637-E641 PolarHBondContact O-N 2.85Å |
| 638 | A | 97.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.4 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D634 A635 K636 C642 L693 | D634-A638 WeakPolarHBondContact O-CB 3.48Å; D634-A638 PolarHBondContact O-N 3.01Å; D634-A638 VanDerWaalsContact O-N 3.14Å; A635-A638 PolarHBondContact O-N 3.11Å; K636-A638 PolarHBondContact O-N 2.97Å; A638-C642 WeakPolarHBondContact O-CB 3.26Å; A638-C642 PolarHBondContact O-N 2.9Å; A638-L693 HydrophobicContact CB-CD2 4.19Å |
| 639 | V | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.3 | -44.7 | 169.9 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | A635 K636 N637 C642 V643 T673 L677 Y689 K692 L693 L696 | A635-V639 PolarHBondContact O-N 3.08Å; K636-V639 WeakPolarHBondContact O-CB 3.41Å; K636-V639 PolarHBondContact O-N 2.75Å; N637-V639 VanDerWaalsContact C-N 3.34Å; N637-V639 PolarHBondContact O-N 3.41Å; V639-C642 WeakPolarHBondContact O-CB 3.3Å; V639-C642 PolarHBondContact O-N 3.32Å; V639-V643 WeakPolarHBondContact O-CG2 3.46Å; V639-V643 PolarHBondContact O-N 2.68Å; V639-T673 HydrophobicContact CG1-CG2 3.64Å; V639-L677 HydrophobicContact CB-CD1 4.23Å; V639-L677 HydrophobicContact CB-CD2 4.3Å; V639-L677 HydrophobicContact CG1-CD1 3.92Å; V639-L677 HydrophobicContact CG1-CD2 4.37Å; V639-L677 HydrophobicContact CG1-CG 4.36Å; V639-Y689 HydrophobicContact CG2-CD1 4.5Å; V639-Y689 WeakPolarHBondContact CG2-O 3.38Å; V639-K692 HydrophobicContact CG1-CB 4.32Å; V639-K692 HydrophobicContact CG2-CB 4.43Å; V639-L693 HydrophobicContact CG2-CB 4.17Å; V639-L696 HydrophobicContact CG1-CD1 4.13Å |
| 640 | E | 96.1 | Very high | 95.6 | Very high | 55 Ų | 55 | 52 Ų | 52 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 178.8 | -171.7 | 170.9 | -163.4 | 0 | 0 | 111.9 | K636 N637 C642 V643 Y644 L677 Y678 | K636-E640 PolarHBondContact O-N 3.16Å; K636-E640 VanDerWaalsContact O-N 3.13Å; N637-E640 PolarHBondContact O-N 2.86Å; E640-C642 VanDerWaalsContact C-N 3.35Å; E640-C642 PolarHBondContact O-N 3.14Å; E640-V643 PolarHBondContact O-N 3.39Å; E640-Y644 HydrophobicContact CG-CD2 4.11Å; E640-Y644 HydrophobicContact CG-CE2 3.65Å; E640-Y644 WeakPolarHBondContact O-CD2 3.32Å; E640-Y644 PolarHBondContact O-N 2.79Å; E640-Y644 VanDerWaalsContact O-N 3.09Å; E640-L677 HydrophobicContact CB-CD1 4.11Å; E640-Y678 PolarHBondContact OE1-OH 3.38Å |
| 641 | E | 96.9 | Very high | 95.2 | Very high | 149 Ų | 149 | 50.2 Ų | 50.2 | 70% | 0.696 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 173.5 | -174.5 | 180 | -174.2 | 0 | 0 | 111.8 | N637 Y644 E645 | N637-E641 WeakPolarHBondContact O-CB 3.29Å; N637-E641 PolarHBondContact O-N 2.85Å; E641-Y644 PolarHBondContact O-N 3.05Å; E641-E645 WeakPolarHBondContact O-CB 3.39Å; E641-E645 PolarHBondContact O-N 3.47Å |
| 642 | C | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | A638 V639 E640 Y644 E645 F646 L693 L696 M697 | A638-C642 WeakPolarHBondContact O-CB 3.26Å; A638-C642 PolarHBondContact O-N 2.9Å; V639-C642 WeakPolarHBondContact O-CB 3.3Å; V639-C642 PolarHBondContact O-N 3.32Å; E640-C642 VanDerWaalsContact C-N 3.35Å; E640-C642 PolarHBondContact O-N 3.14Å; C642-Y644 PolarHBondContact O-N 2.91Å; C642-E645 PolarHBondContact O-N 3.49Å; C642-F646 WeakPolarHBondContact O-CD2 3.5Å; C642-F646 PolarHBondContact O-N 3.26Å; C642-L693 HydrophobicContact CB-CD1 3.62Å; C642-L696 HydrophobicContact CB-CD1 4.31Å; C642-M697 HydrophobicContact CB-CE 4.41Å |
| 643 | V | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 177 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | V639 E640 R647 L670 T673 E674 L696 | V639-V643 WeakPolarHBondContact O-CG2 3.46Å; V639-V643 PolarHBondContact O-N 2.68Å; E640-V643 PolarHBondContact O-N 3.39Å; V643-R647 VanDerWaalsContact O-CB 3.23Å; V643-R647 WeakPolarHBondContact O-CB 3.42Å; V643-R647 PolarHBondContact O-N 2.89Å; V643-L670 HydrophobicContact CB-CD2 4.38Å; V643-L670 HydrophobicContact CG1-CD2 4.49Å; V643-L670 HydrophobicContact CG2-CD2 4.24Å; V643-T673 HydrophobicContact CG2-CG2 4.08Å; V643-E674 HydrophobicContact CG1-CB 4.2Å; V643-L696 HydrophobicContact CG2-CD1 3.68Å |
| 644 | Y | 94.7 | Very high | 94.6 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 177.9 | -65.2 | -51.2 | 0 | 0 | 0 | 113.1 | E640 E641 C642 F646 R647 D648 E674 Y678 | E640-Y644 HydrophobicContact CG-CD2 4.11Å; E640-Y644 HydrophobicContact CG-CE2 3.65Å; E640-Y644 WeakPolarHBondContact O-CD2 3.32Å; E640-Y644 PolarHBondContact O-N 2.79Å; E640-Y644 VanDerWaalsContact O-N 3.09Å; E641-Y644 PolarHBondContact O-N 3.05Å; C642-Y644 PolarHBondContact O-N 2.91Å; Y644-F646 PolarHBondContact O-N 3.25Å; Y644-R647 PolarHBondContact O-N 2.89Å; Y644-D648 PolarHBondContact O-N 3.25Å; Y644-D648 VanDerWaalsContact O-N 3.12Å; Y644-E674 VanDerWaalsContact CE1-OE1 3.23Å; Y644-E674 WeakPolarHBondContact CE1-OE1 3.45Å; Y644-E674 PolarHBondContact OH-OE1 2.95Å; Y644-Y678 PolarHBondContact OH-OH 3.39Å |
| 645 | E | 94.8 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 175.9 | -164.8 | -150.6 | 149.4 | 0 | 0 | 111.2 | E641 C642 K649 K704 | E641-E645 WeakPolarHBondContact O-CB 3.39Å; E641-E645 PolarHBondContact O-N 3.47Å; C642-E645 PolarHBondContact O-N 3.49Å; E645-K649 HydrophobicContact CG-CD 3.99Å; E645-K649 WeakPolarHBondContact O-CB 3.46Å; E645-K649 VanDerWaalsContact O-CG 3.24Å; E645-K649 WeakPolarHBondContact O-CG 3.49Å; E645-K649 PolarHBondContact O-N 2.9Å; E645-K649 IonicContact OE1-NZ 2.66Å; E645-K649 PolarHBondContact OE1-NZ 2.78Å; E645-K704 VanDerWaalsContact CD-NZ 3.26Å; E645-K704 IonicContact OE1-NZ 3.92Å; E645-K704 PolarHBondContact OE1-NZ 3.3Å; E645-K704 IonicContact OE2-NZ 3.75Å; E645-K704 PolarHBondContact OE2-NZ 2.83Å |
| 646 | F | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.1 | -36.3 | -177.9 | -78 | -70.5 | 0 | 0 | 0 | 112.6 | C642 Y644 K649 L650 Y654 F666 L670 M697 G700 K704 | C642-F646 WeakPolarHBondContact O-CD2 3.5Å; C642-F646 PolarHBondContact O-N 3.26Å; Y644-F646 PolarHBondContact O-N 3.25Å; F646-K649 PolarHBondContact O-N 3.21Å; F646-L650 HydrophobicContact CB-CD1 4.38Å; F646-L650 VanDerWaalsContact O-CB 3.23Å; F646-L650 WeakPolarHBondContact O-CB 3.31Å; F646-L650 WeakPolarHBondContact O-CD1 3.48Å; F646-L650 WeakPolarHBondContact O-CG 3.24Å; F646-L650 PolarHBondContact O-N 3.2Å; F646-Y654 HydrophobicContact CD1-CD2 4.12Å; F646-Y654 AromaticContact CD1-CE2 3.89Å; F646-Y654 HydrophobicContact CD1-CE2 3.89Å; F646-Y654 HydrophobicContact CE1-CD2 4.29Å; F646-Y654 AromaticContact CE1-CE2 3.77Å; F646-Y654 HydrophobicContact CE1-CE2 3.77Å; F646-F666 HydrophobicContact CB-CE1 4.24Å; F646-F666 HydrophobicContact CB-CZ 3.96Å; F646-F666 AromaticContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CE1 3.73Å; F646-F666 AromaticContact CD1-CZ 3.86Å; F646-F666 HydrophobicContact CD1-CZ 3.86Å; F646-F666 HydrophobicContact CD2-CZ 4.04Å; F646-F666 HydrophobicContact CE1-CE1 4.28Å; F646-F666 HydrophobicContact CE1-CZ 4.38Å; F646-F666 AromaticContact CG-CE1 3.99Å; F646-F666 HydrophobicContact CG-CE1 3.99Å; F646-F666 AromaticContact CG-CZ 3.68Å; F646-F666 HydrophobicContact CG-CZ 3.68Å; F646-L670 HydrophobicContact CB-CD1 3.92Å; F646-L670 HydrophobicContact CB-CD2 3.95Å; F646-M697 HydrophobicContact CE2-CE 4.18Å; F646-M697 HydrophobicContact CE2-SD 3.96Å; F646-M697 HydrophobicContact CZ-SD 4.28Å; F646-G700 VanDerWaalsContact CE1-CA 3.42Å; F646-K704 HydrophobicContact CZ-CD 4.31Å |
| 647 | R | 93.6 | Very high | 94 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.9 | -177.1 | 179.2 | -76.5 | 161.5 | -9.9 | 112.2 | V643 Y644 T671 E674 | V643-R647 VanDerWaalsContact O-CB 3.23Å; V643-R647 WeakPolarHBondContact O-CB 3.42Å; V643-R647 PolarHBondContact O-N 2.89Å; Y644-R647 PolarHBondContact O-N 2.89Å; R647-T671 PolarHBondContact NH2-OG1 3.33Å; R647-E674 IonicContact CZ-OE1 3.97Å; R647-E674 IonicContact CZ-OE2 3.15Å; R647-E674 IonicContact NH1-OE1 2.93Å; R647-E674 PolarHBondContact NH1-OE1 3Å; R647-E674 IonicContact NH1-OE2 2.71Å; R647-E674 PolarHBondContact NH1-OE2 3.2Å; R647-E674 IonicContact NH2-OE2 3.18Å; R647-E674 PolarHBondContact NH2-OE2 3.15Å |
| 648 | D | 93.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.4 | -53.7 | 173.7 | 173.5 | 73.7 | 0 | 0 | 0 | 110.8 | Y644 L650 C651 G652 | Y644-D648 PolarHBondContact O-N 3.25Å; Y644-D648 VanDerWaalsContact O-N 3.12Å; D648-L650 PolarHBondContact O-N 2.91Å; D648-C651 CarbonylContact O-C 3.47Å; D648-C651 PolarHBondContact O-N 3.05Å; D648-C651 VanDerWaalsContact O-N 3.07Å; D648-G652 PolarHBondContact O-N 3.15Å |
| 649 | K | 93.9 | Very high | 93.6 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.7 | -32.8 | -170.9 | -66.5 | 178.8 | -169.6 | 179.8 | 0 | 113.6 | E645 F646 C651 G652 P653 Y654 | E645-K649 HydrophobicContact CG-CD 3.99Å; E645-K649 WeakPolarHBondContact O-CB 3.46Å; E645-K649 VanDerWaalsContact O-CG 3.24Å; E645-K649 WeakPolarHBondContact O-CG 3.49Å; E645-K649 PolarHBondContact O-N 2.9Å; E645-K649 IonicContact OE1-NZ 2.66Å; E645-K649 PolarHBondContact OE1-NZ 2.78Å; F646-K649 PolarHBondContact O-N 3.21Å; K649-C651 PolarHBondContact O-N 2.98Å; K649-G652 CarbonylContact O-C 3.54Å; K649-G652 PolarHBondContact O-N 2.87Å; K649-P653 HydrophobicContact CB-CG 4.08Å; K649-P653 HydrophobicContact CG-CG 4.04Å; K649-Y654 HydrophobicContact CB-CD1 4.28Å; K649-Y654 HydrophobicContact CB-CD2 3.42Å; K649-Y654 VanDerWaalsContact CB-CD2 3.42Å; K649-Y654 HydrophobicContact CB-CE1 4.44Å; K649-Y654 HydrophobicContact CB-CE2 3.6Å; K649-Y654 HydrophobicContact CB-CG 3.77Å; K649-Y654 HydrophobicContact CD-CD2 4.37Å; K649-Y654 HydrophobicContact CD-CE1 4.18Å; K649-Y654 HydrophobicContact CD-CE2 3.67Å; K649-Y654 WeakPolarHBondContact CD-OH 3.41Å; K649-Y654 HydrophobicContact CG-CE2 4.27Å; K649-Y654 WeakPolarHBondContact O-CA 3.3Å; K649-Y654 WeakPolarHBondContact O-CB 3.17Å; K649-Y654 PolarHBondContact O-N 2.75Å |
| 650 | L | 91.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -24.4 | 173.7 | -72 | 168.1 | 0 | 0 | 0 | 113 | F646 D648 G652 I658 H663 F666 L667 L670 | F646-L650 HydrophobicContact CB-CD1 4.38Å; F646-L650 VanDerWaalsContact O-CB 3.23Å; F646-L650 WeakPolarHBondContact O-CB 3.31Å; F646-L650 WeakPolarHBondContact O-CD1 3.48Å; F646-L650 WeakPolarHBondContact O-CG 3.24Å; F646-L650 PolarHBondContact O-N 3.2Å; D648-L650 PolarHBondContact O-N 2.91Å; L650-G652 VanDerWaalsContact C-N 3.33Å; L650-I658 HydrophobicContact CD2-CD1 4.24Å; L650-I658 HydrophobicContact CD2-CG2 4.02Å; L650-H663 PolarHBondContact O-NE2 2.87Å; L650-F666 HydrophobicContact CD1-CB 4.36Å; L650-F666 HydrophobicContact CD1-CD1 3.54Å; L650-F666 HydrophobicContact CD1-CE1 3.93Å; L650-F666 HydrophobicContact CD1-CG 4.01Å; L650-F666 HydrophobicContact CD2-CD1 4.07Å; L650-F666 HydrophobicContact CD2-CE1 4.49Å; L650-F666 HydrophobicContact CG-CD1 4.36Å; L650-L667 HydrophobicContact CB-CD2 4.15Å; L650-L667 HydrophobicContact CD1-CD2 3.94Å; L650-L667 HydrophobicContact CD1-CG 4.44Å; L650-L670 HydrophobicContact CD1-CD1 3.53Å |
| 651 | C | 87.8 | Confident | 93.1 | Very high | 94 Ų | 94 | 64.5 Ų | 64.5 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.1 | 171.7 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | D648 K649 | D648-C651 CarbonylContact O-C 3.47Å; D648-C651 PolarHBondContact O-N 3.05Å; D648-C651 VanDerWaalsContact O-N 3.07Å; K649-C651 PolarHBondContact O-N 2.98Å |
| 652 | G | 90.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | -114.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D648 K649 L650 Y654 E655 | D648-G652 PolarHBondContact O-N 3.15Å; K649-G652 CarbonylContact O-C 3.54Å; K649-G652 PolarHBondContact O-N 2.87Å; L650-G652 VanDerWaalsContact C-N 3.33Å; G652-Y654 VanDerWaalsContact C-N 3.27Å; G652-Y654 PolarHBondContact O-N 3.04Å; G652-Y654 VanDerWaalsContact O-N 3.15Å; G652-E655 WeakPolarHBondContact O-CB 3.44Å; G652-E655 PolarHBondContact O-N 3.45Å |
| 653 | P | 91.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.8 | -170 | 22.6 | -35 | 0 | 0 | 0 | 115.4 | K649 F657 F707 | K649-P653 HydrophobicContact CB-CG 4.08Å; K649-P653 HydrophobicContact CG-CG 4.04Å; P653-F657 VanDerWaalsContact O-CD2 3.25Å; P653-F657 WeakPolarHBondContact O-CD2 3.4Å; P653-F657 VanDerWaalsContact O-CE2 3.29Å; P653-F657 WeakPolarHBondContact O-CE2 3.35Å; P653-F707 HydrophobicContact CB-CD2 4.25Å; P653-F707 HydrophobicContact CB-CE2 3.64Å; P653-F707 HydrophobicContact CB-CZ 4.21Å |
| 654 | Y | 93.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12 | -177.7 | -66 | -8.1 | 0 | 0 | 0 | 114.2 | F646 K649 G652 K656 F657 V703 F707 | F646-Y654 HydrophobicContact CD1-CD2 4.12Å; F646-Y654 AromaticContact CD1-CE2 3.89Å; F646-Y654 HydrophobicContact CD1-CE2 3.89Å; F646-Y654 HydrophobicContact CE1-CD2 4.29Å; F646-Y654 AromaticContact CE1-CE2 3.77Å; F646-Y654 HydrophobicContact CE1-CE2 3.77Å; K649-Y654 HydrophobicContact CB-CD1 4.28Å; K649-Y654 HydrophobicContact CB-CD2 3.42Å; K649-Y654 VanDerWaalsContact CB-CD2 3.42Å; K649-Y654 HydrophobicContact CB-CE1 4.44Å; K649-Y654 HydrophobicContact CB-CE2 3.6Å; K649-Y654 HydrophobicContact CB-CG 3.77Å; K649-Y654 HydrophobicContact CD-CD2 4.37Å; K649-Y654 HydrophobicContact CD-CE1 4.18Å; K649-Y654 HydrophobicContact CD-CE2 3.67Å; K649-Y654 WeakPolarHBondContact CD-OH 3.41Å; K649-Y654 HydrophobicContact CG-CE2 4.27Å; K649-Y654 WeakPolarHBondContact O-CA 3.3Å; K649-Y654 WeakPolarHBondContact O-CB 3.17Å; K649-Y654 PolarHBondContact O-N 2.75Å; G652-Y654 VanDerWaalsContact C-N 3.27Å; G652-Y654 PolarHBondContact O-N 3.04Å; G652-Y654 VanDerWaalsContact O-N 3.15Å; Y654-K656 PolarHBondContact O-N 2.92Å; Y654-F657 PolarHBondContact O-N 3.48Å; Y654-V703 HydrophobicContact CD2-CG1 4.2Å; Y654-V703 HydrophobicContact CG-CG1 3.98Å; Y654-F707 HydrophobicContact CD1-CB 3.91Å; Y654-F707 AromaticContact CD1-CD2 3.96Å; Y654-F707 HydrophobicContact CD1-CD2 3.96Å; Y654-F707 AromaticContact CD1-CG 3.85Å; Y654-F707 HydrophobicContact CD1-CG 3.85Å; Y654-F707 HydrophobicContact CE1-CB 3.94Å; Y654-F707 AromaticContact CE1-CD1 3.99Å; Y654-F707 HydrophobicContact CE1-CD1 3.99Å; Y654-F707 HydrophobicContact CE1-CD2 4.24Å; Y654-F707 AromaticContact CE1-CG 3.77Å; Y654-F707 HydrophobicContact CE1-CG 3.77Å |
| 655 | E | 91.4 | Very high | 92.5 | Very high | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -47.1 | -40.5 | -177.1 | -177 | -164.4 | -142.6 | 0 | 0 | 112.6 | G652 F657 | G652-E655 WeakPolarHBondContact O-CB 3.44Å; G652-E655 PolarHBondContact O-N 3.45Å; E655-F657 VanDerWaalsContact C-N 3.35Å; E655-F657 PolarHBondContact O-N 3.2Å |
| 656 | K | 92.3 | Very high | 92.6 | Very high | 137 Ų | 137 | 66.7 Ų | 66.7 | 60% | 0.596 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -83.8 | -5.6 | -174.8 | -62.9 | 167.6 | -171.9 | 165.9 | 0 | 114.3 | Y654 L775 D776 | Y654-K656 PolarHBondContact O-N 2.92Å; K656-L775 HydrophobicContact CB-CD1 4.29Å; K656-L775 CarbonylContact O-C 3.6Å; K656-L775 WeakPolarHBondContact O-CB 3.32Å; K656-D776 PolarHBondContact O-N 3.39Å |
| 657 | F | 93.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -110.1 | 10.7 | -170 | -62.6 | -82.7 | 0 | 0 | 0 | 113.4 | P653 Y654 E655 V703 R706 F707 A710 L775 | P653-F657 VanDerWaalsContact O-CD2 3.25Å; P653-F657 WeakPolarHBondContact O-CD2 3.4Å; P653-F657 VanDerWaalsContact O-CE2 3.29Å; P653-F657 WeakPolarHBondContact O-CE2 3.35Å; Y654-F657 PolarHBondContact O-N 3.48Å; E655-F657 VanDerWaalsContact C-N 3.35Å; E655-F657 PolarHBondContact O-N 3.2Å; F657-V703 HydrophobicContact CB-CG1 3.89Å; F657-R706 HydrophobicContact CB-CB 4.14Å; F657-R706 HydrophobicContact CD1-CB 4.01Å; F657-R706 WeakPolarHBondContact O-CD 3.37Å; F657-R706 PolarHBondContact O-NH1 3.38Å; F657-F707 HydrophobicContact CD2-CB 4.25Å; F657-F707 AromaticContact CD2-CD2 3.96Å; F657-F707 HydrophobicContact CD2-CD2 3.96Å; F657-F707 HydrophobicContact CE2-CB 4.49Å; F657-F707 AromaticContact CE2-CD2 3.63Å; F657-F707 HydrophobicContact CE2-CD2 3.63Å; F657-F707 HydrophobicContact CE2-CE2 4.38Å; F657-F707 HydrophobicContact CG-CB 4.24Å; F657-F707 HydrophobicContact CZ-CD2 4.17Å; F657-A710 HydrophobicContact CE1-CB 3.49Å; F657-A710 VanDerWaalsContact CE1-CB 3.49Å; F657-A710 HydrophobicContact CZ-CB 3.87Å; F657-L775 HydrophobicContact CD1-CB 3.92Å; F657-L775 WeakPolarHBondContact CD1-O 3.31Å; F657-L775 HydrophobicContact CE1-CB 3.87Å; F657-L775 HydrophobicContact CE1-CD1 4.22Å; F657-L775 HydrophobicContact CE1-CD2 4.06Å; F657-L775 HydrophobicContact CE1-CG 4.26Å; F657-L775 HydrophobicContact CZ-CD1 4.19Å |
| 658 | I | 93.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -142.3 | 142.3 | 179.4 | -173.4 | 170.8 | 0 | 0 | 0 | 108.4 | L650 E662 H663 F666 V703 | L650-I658 HydrophobicContact CD2-CD1 4.24Å; L650-I658 HydrophobicContact CD2-CG2 4.02Å; I658-E662 HydrophobicContact CD1-CB 3.81Å; I658-E662 HydrophobicContact CG1-CB 3.52Å; I658-H663 HydrophobicContact CD1-CB 4.38Å; I658-H663 HydrophobicContact CG1-CB 4.4Å; I658-H663 HydrophobicContact CG2-CB 3.99Å; I658-F666 HydrophobicContact CD1-CB 4.34Å; I658-F666 HydrophobicContact CD1-CD1 4.2Å; I658-V703 HydrophobicContact CB-CG1 4.2Å; I658-V703 HydrophobicContact CB-CG2 3.99Å; I658-V703 HydrophobicContact CD1-CG2 3.91Å; I658-V703 HydrophobicContact CG1-CG2 4.2Å |
| 659 | C | 92.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | trans | -76.6 | 153.4 | 177.8 | 74 | 0 | 0 | 0 | 0 | 110.5 | Q661 E662 H663 D776 | C659-Q661 VanDerWaalsContact C-N 3.26Å; C659-Q661 PolarHBondContact O-N 2.99Å; C659-Q661 VanDerWaalsContact O-N 3.13Å; C659-E662 PolarHBondContact O-N 3.08Å; C659-E662 WeakPolarHBondContact SG-CG 3.22Å; C659-E662 PolarHBondContact SG-OE2 2.92Å; C659-H663 PolarHBondContact O-N 2.92Å; C659-D776 HydrophobicContact CB-CB 4.43Å; C659-D776 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 660 | Q | 89.8 | Confident | 92.9 | Very high | 144 Ų | 144 | 66 Ų | 66 | 67% | 0.673 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.7 | -40.9 | -174.9 | -176.6 | -178.6 | -15.1 | 0 | 0 | 113.3 | E662 H663 E664 | Q660-E662 PolarHBondContact O-N 3.25Å; Q660-H663 WeakPolarHBondContact O-CB 3.35Å; Q660-H663 PolarHBondContact O-N 2.79Å; Q660-E664 HydrophobicContact CG-CG 4.43Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.32Å; Q660-E664 PolarHBondContact NE2-OE1 2.85Å; Q660-E664 WeakPolarHBondContact O-CG 3.18Å; Q660-E664 PolarHBondContact O-N 2.89Å |
| 661 | Q | 91.6 | Very high | 93.1 | Very high | 167 Ų | 167 | 68.8 Ų | 68.8 | 78% | 0.78 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.3 | -34.7 | 179.8 | -172 | 179.1 | 8.1 | 0 | 0 | 112.9 | C659 K665 | C659-Q661 VanDerWaalsContact C-N 3.26Å; C659-Q661 PolarHBondContact O-N 2.99Å; C659-Q661 VanDerWaalsContact O-N 3.13Å; Q661-K665 WeakPolarHBondContact O-CB 3.38Å; Q661-K665 PolarHBondContact O-N 2.76Å |
| 662 | E | 91.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.5 | -33.4 | 174.1 | -72.9 | 175.5 | 144.1 | 0 | 0 | 111.5 | I658 C659 Q660 K665 F666 | I658-E662 HydrophobicContact CD1-CB 3.81Å; I658-E662 HydrophobicContact CG1-CB 3.52Å; C659-E662 PolarHBondContact O-N 3.08Å; C659-E662 WeakPolarHBondContact SG-CG 3.22Å; C659-E662 PolarHBondContact SG-OE2 2.92Å; Q660-E662 PolarHBondContact O-N 3.25Å; E662-K665 PolarHBondContact O-N 2.91Å; E662-F666 VanDerWaalsContact O-CB 3.31Å; E662-F666 WeakPolarHBondContact O-CB 3.38Å; E662-F666 PolarHBondContact O-N 3.32Å |
| 663 | H | 92.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -53.5 | 176 | -174.7 | -86.8 | 0 | 0 | 0 | 111.8 | L650 I658 C659 Q660 K665 F666 L667 | L650-H663 PolarHBondContact O-NE2 2.87Å; I658-H663 HydrophobicContact CD1-CB 4.38Å; I658-H663 HydrophobicContact CG1-CB 4.4Å; I658-H663 HydrophobicContact CG2-CB 3.99Å; C659-H663 PolarHBondContact O-N 2.92Å; Q660-H663 WeakPolarHBondContact O-CB 3.35Å; Q660-H663 PolarHBondContact O-N 2.79Å; H663-K665 PolarHBondContact O-N 3.09Å; H663-F666 PolarHBondContact O-N 3.48Å; H663-F666 VanDerWaalsContact O-N 3.13Å; H663-L667 VanDerWaalsContact CE1-CD1 3.41Å; H663-L667 WeakPolarHBondContact CE1-CD1 3.28Å; H663-L667 PolarHBondContact O-N 3.49Å |
| 664 | E | 93.3 | Very high | 94 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -35.7 | 174.8 | -71.1 | 175.5 | -161.2 | 0 | 0 | 112.2 | Q660 R668 | Q660-E664 HydrophobicContact CG-CG 4.43Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.32Å; Q660-E664 PolarHBondContact NE2-OE1 2.85Å; Q660-E664 WeakPolarHBondContact O-CG 3.18Å; Q660-E664 PolarHBondContact O-N 2.89Å; E664-R668 WeakPolarHBondContact O-CB 3.5Å; E664-R668 PolarHBondContact O-N 3.32Å |
| 665 | K | 94.8 | Very high | 94.1 | Very high | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.6 | -42.8 | 175.2 | -175.6 | -171.8 | 171.8 | -156.6 | 0 | 112.1 | Q661 E662 H663 R668 L669 M699 | Q661-K665 WeakPolarHBondContact O-CB 3.38Å; Q661-K665 PolarHBondContact O-N 2.76Å; E662-K665 PolarHBondContact O-N 2.91Å; H663-K665 PolarHBondContact O-N 3.09Å; K665-R668 PolarHBondContact O-N 3.31Å; K665-L669 PolarHBondContact O-N 3.16Å; K665-M699 HydrophobicContact CB-CE 4.41Å; K665-M699 HydrophobicContact CD-CE 4.02Å; K665-M699 HydrophobicContact CG-CE 4.18Å |
| 666 | F | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.6 | -41.8 | -177.1 | -165.6 | -168.4 | 0 | 0 | 0 | 111.2 | F646 L650 I658 E662 H663 R668 L669 L670 L696 M699 | F646-F666 HydrophobicContact CB-CE1 4.24Å; F646-F666 HydrophobicContact CB-CZ 3.96Å; F646-F666 AromaticContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CE1 3.73Å; F646-F666 AromaticContact CD1-CZ 3.86Å; F646-F666 HydrophobicContact CD1-CZ 3.86Å; F646-F666 HydrophobicContact CD2-CZ 4.04Å; F646-F666 HydrophobicContact CE1-CE1 4.28Å; F646-F666 HydrophobicContact CE1-CZ 4.38Å; F646-F666 AromaticContact CG-CE1 3.99Å; F646-F666 HydrophobicContact CG-CE1 3.99Å; F646-F666 AromaticContact CG-CZ 3.68Å; F646-F666 HydrophobicContact CG-CZ 3.68Å; L650-F666 HydrophobicContact CD1-CB 4.36Å; L650-F666 HydrophobicContact CD1-CD1 3.54Å; L650-F666 HydrophobicContact CD1-CE1 3.93Å; L650-F666 HydrophobicContact CD1-CG 4.01Å; L650-F666 HydrophobicContact CD2-CD1 4.07Å; L650-F666 HydrophobicContact CD2-CE1 4.49Å; L650-F666 HydrophobicContact CG-CD1 4.36Å; I658-F666 HydrophobicContact CD1-CB 4.34Å; I658-F666 HydrophobicContact CD1-CD1 4.2Å; E662-F666 VanDerWaalsContact O-CB 3.31Å; E662-F666 WeakPolarHBondContact O-CB 3.38Å; E662-F666 PolarHBondContact O-N 3.32Å; H663-F666 PolarHBondContact O-N 3.48Å; H663-F666 VanDerWaalsContact O-N 3.13Å; F666-R668 PolarHBondContact O-N 3.08Å; F666-L669 HydrophobicContact CD2-CD2 4.35Å; F666-L669 PolarHBondContact O-N 3.49Å; F666-L670 HydrophobicContact CD2-CD1 4.01Å; F666-L670 HydrophobicContact CD2-CG 3.91Å; F666-L670 HydrophobicContact CE2-CD1 4.07Å; F666-L670 HydrophobicContact CE2-CD2 3.99Å; F666-L670 HydrophobicContact CE2-CG 3.87Å; F666-L670 HydrophobicContact CG-CD1 4.33Å; F666-L670 HydrophobicContact CZ-CD1 4.44Å; F666-L670 WeakPolarHBondContact O-CB 3.45Å; F666-L670 VanDerWaalsContact O-CG 3.26Å; F666-L670 WeakPolarHBondContact O-CG 3.47Å; F666-L670 PolarHBondContact O-N 2.82Å; F666-L696 HydrophobicContact CE2-CD2 4.24Å; F666-M699 HydrophobicContact CB-CE 3.69Å; F666-M699 HydrophobicContact CD1-CB 4.14Å; F666-M699 HydrophobicContact CD2-CB 3.73Å; F666-M699 HydrophobicContact CD2-CE 4.49Å; F666-M699 HydrophobicContact CD2-CG 4.34Å; F666-M699 HydrophobicContact CE1-CB 4.19Å; F666-M699 HydrophobicContact CE2-CB 3.76Å; F666-M699 HydrophobicContact CG-CB 3.95Å; F666-M699 HydrophobicContact CG-CE 4.14Å; F666-M699 HydrophobicContact CZ-CB 4.01Å |
| 667 | L | 94.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -38.4 | 171.8 | -73.5 | -178.7 | 0 | 0 | 0 | 112.1 | L650 H663 L670 T671 | L650-L667 HydrophobicContact CB-CD2 4.15Å; L650-L667 HydrophobicContact CD1-CD2 3.94Å; L650-L667 HydrophobicContact CD1-CG 4.44Å; H663-L667 VanDerWaalsContact CE1-CD1 3.41Å; H663-L667 WeakPolarHBondContact CE1-CD1 3.28Å; H663-L667 PolarHBondContact O-N 3.49Å; L667-L670 HydrophobicContact CD2-CD1 4.38Å; L667-T671 PolarHBondContact O-N 3.01Å; L667-T671 VanDerWaalsContact O-N 3.13Å; L667-T671 PolarHBondContact O-OG1 2.91Å |
| 668 | R | 95.8 | Very high | 94.5 | Very high | 154 Ų | 154 | 65.5 Ų | 65.5 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.5 | -49.3 | 174.2 | -165.1 | -170.4 | -54.2 | -174.5 | 1.7 | 112.2 | E664 K665 F666 L670 T671 E672 | E664-R668 WeakPolarHBondContact O-CB 3.5Å; E664-R668 PolarHBondContact O-N 3.32Å; K665-R668 PolarHBondContact O-N 3.31Å; F666-R668 PolarHBondContact O-N 3.08Å; R668-L670 PolarHBondContact O-N 2.76Å; R668-T671 PolarHBondContact O-N 2.78Å; R668-T671 VanDerWaalsContact O-N 3.11Å; R668-E672 WeakPolarHBondContact CD-OE1 3.27Å; R668-E672 HydrophobicContact CG-CG 4.25Å; R668-E672 VanDerWaalsContact CG-OE1 3.27Å; R668-E672 WeakPolarHBondContact CG-OE1 3.39Å; R668-E672 WeakPolarHBondContact O-CB 3.13Å; R668-E672 WeakPolarHBondContact O-CG 3.32Å; R668-E672 PolarHBondContact O-N 3.46Å |
| 669 | L | 96.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -35.7 | 177.4 | 175.8 | 65.6 | 0 | 0 | 0 | 112.5 | K665 F666 T673 E695 L696 M699 | K665-L669 PolarHBondContact O-N 3.16Å; F666-L669 HydrophobicContact CD2-CD2 4.35Å; F666-L669 PolarHBondContact O-N 3.49Å; L669-T673 VanDerWaalsContact O-CB 3.29Å; L669-T673 WeakPolarHBondContact O-CB 3.36Å; L669-T673 PolarHBondContact O-N 3.27Å; L669-T673 PolarHBondContact O-OG1 2.69Å; L669-E695 HydrophobicContact CD1-CG 4.19Å; L669-E695 HydrophobicContact CD2-CG 4.2Å; L669-L696 HydrophobicContact CD2-CD2 4.13Å; L669-L696 HydrophobicContact CG-CD2 3.91Å; L669-M699 HydrophobicContact CD2-CG 3.91Å |
| 670 | L | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 174.9 | -73.2 | 163.4 | 0 | 0 | 0 | 111.3 | V643 F646 L650 F666 L667 R668 T673 E674 L696 | V643-L670 HydrophobicContact CB-CD2 4.38Å; V643-L670 HydrophobicContact CG1-CD2 4.49Å; V643-L670 HydrophobicContact CG2-CD2 4.24Å; F646-L670 HydrophobicContact CB-CD1 3.92Å; F646-L670 HydrophobicContact CB-CD2 3.95Å; L650-L670 HydrophobicContact CD1-CD1 3.53Å; F666-L670 HydrophobicContact CD2-CD1 4.01Å; F666-L670 HydrophobicContact CD2-CG 3.91Å; F666-L670 HydrophobicContact CE2-CD1 4.07Å; F666-L670 HydrophobicContact CE2-CD2 3.99Å; F666-L670 HydrophobicContact CE2-CG 3.87Å; F666-L670 HydrophobicContact CG-CD1 4.33Å; F666-L670 HydrophobicContact CZ-CD1 4.44Å; F666-L670 WeakPolarHBondContact O-CB 3.45Å; F666-L670 VanDerWaalsContact O-CG 3.26Å; F666-L670 WeakPolarHBondContact O-CG 3.47Å; F666-L670 PolarHBondContact O-N 2.82Å; L667-L670 HydrophobicContact CD2-CD1 4.38Å; R668-L670 PolarHBondContact O-N 2.76Å; L670-T673 PolarHBondContact O-N 3.05Å; L670-E674 PolarHBondContact O-N 2.92Å; L670-L696 HydrophobicContact CD2-CD1 4.37Å; L670-L696 HydrophobicContact CD2-CD2 3.9Å; L670-L696 HydrophobicContact CG-CD2 4.45Å |
| 671 | T | 96 | Very high | 94.4 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.8 | -47.2 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | R647 L667 R668 T673 E674 D675 | R647-T671 PolarHBondContact NH2-OG1 3.33Å; L667-T671 PolarHBondContact O-N 3.01Å; L667-T671 VanDerWaalsContact O-N 3.13Å; L667-T671 PolarHBondContact O-OG1 2.91Å; R668-T671 PolarHBondContact O-N 2.78Å; R668-T671 VanDerWaalsContact O-N 3.11Å; T671-T673 PolarHBondContact O-N 3.23Å; T671-T673 VanDerWaalsContact O-N 3.08Å; T671-E674 PolarHBondContact O-N 3.43Å; T671-D675 WeakPolarHBondContact O-CB 3.49Å; T671-D675 VanDerWaalsContact O-CG 3.25Å; T671-D675 PolarHBondContact O-N 3.18Å |
| 672 | E | 96.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 68.9 Ų | 68.9 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.3 | -25.9 | 174.4 | -70.9 | 168.4 | -179.6 | 0 | 0 | 112.6 | R668 W676 | R668-E672 WeakPolarHBondContact CD-OE1 3.27Å; R668-E672 HydrophobicContact CG-CG 4.25Å; R668-E672 VanDerWaalsContact CG-OE1 3.27Å; R668-E672 WeakPolarHBondContact CG-OE1 3.39Å; R668-E672 WeakPolarHBondContact O-CB 3.13Å; R668-E672 WeakPolarHBondContact O-CG 3.32Å; R668-E672 PolarHBondContact O-N 3.46Å; E672-W676 VanDerWaalsContact O-CB 3.3Å; E672-W676 WeakPolarHBondContact O-CB 3.49Å; E672-W676 PolarHBondContact O-N 3.41Å |
| 673 | T | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -87.3 | -31.8 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 113 | V639 V643 L669 L670 T671 L677 K692 L696 | V639-T673 HydrophobicContact CG1-CG2 3.64Å; V643-T673 HydrophobicContact CG2-CG2 4.08Å; L669-T673 VanDerWaalsContact O-CB 3.29Å; L669-T673 WeakPolarHBondContact O-CB 3.36Å; L669-T673 PolarHBondContact O-N 3.27Å; L669-T673 PolarHBondContact O-OG1 2.69Å; L670-T673 PolarHBondContact O-N 3.05Å; T671-T673 PolarHBondContact O-N 3.23Å; T671-T673 VanDerWaalsContact O-N 3.08Å; T673-L677 WeakPolarHBondContact O-CG 3.35Å; T673-L677 PolarHBondContact O-N 3.19Å; T673-K692 HydrophobicContact CG2-CD 4.01Å; T673-L696 HydrophobicContact CG2-CD1 4.08Å; T673-L696 HydrophobicContact CG2-CG 4.5Å |
| 674 | E | 95.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 71.2 Ų | 71.2 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -49 | 170.9 | -170.8 | 177.5 | -134.5 | 0 | 0 | 111.3 | V643 Y644 R647 L670 T671 W676 L677 Y678 | V643-E674 HydrophobicContact CG1-CB 4.2Å; Y644-E674 VanDerWaalsContact CE1-OE1 3.23Å; Y644-E674 WeakPolarHBondContact CE1-OE1 3.45Å; Y644-E674 PolarHBondContact OH-OE1 2.95Å; R647-E674 IonicContact CZ-OE1 3.97Å; R647-E674 IonicContact CZ-OE2 3.15Å; R647-E674 IonicContact NH1-OE1 2.93Å; R647-E674 PolarHBondContact NH1-OE1 3Å; R647-E674 IonicContact NH1-OE2 2.71Å; R647-E674 PolarHBondContact NH1-OE2 3.2Å; R647-E674 IonicContact NH2-OE2 3.18Å; R647-E674 PolarHBondContact NH2-OE2 3.15Å; L670-E674 PolarHBondContact O-N 2.92Å; T671-E674 PolarHBondContact O-N 3.43Å; E674-W676 VanDerWaalsContact C-N 3.27Å; E674-W676 PolarHBondContact O-N 3.42Å; E674-L677 WeakPolarHBondContact O-CB 3.45Å; E674-L677 PolarHBondContact O-N 2.98Å; E674-Y678 HydrophobicContact CG-CD2 4.08Å; E674-Y678 HydrophobicContact CG-CE2 3.78Å; E674-Y678 VanDerWaalsContact O-CD2 3.29Å; E674-Y678 WeakPolarHBondContact O-CD2 3.42Å; E674-Y678 PolarHBondContact O-N 3.49Å |
| 675 | D | 96.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.8 | -46.6 | 175.1 | -63.8 | -27.5 | 0 | 0 | 0 | 109.7 | T671 L677 Y678 E679 | T671-D675 WeakPolarHBondContact O-CB 3.49Å; T671-D675 VanDerWaalsContact O-CG 3.25Å; T671-D675 PolarHBondContact O-N 3.18Å; D675-L677 PolarHBondContact O-N 3.45Å; D675-Y678 PolarHBondContact O-N 3.15Å; D675-E679 WeakPolarHBondContact O-CB 3.38Å; D675-E679 PolarHBondContact O-N 3.13Å |
| 676 | W | 96.9 | Very high | 94.6 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175 | 179.2 | 84.1 | 0 | 0 | 0 | 113.1 | E672 E674 Y678 E679 G681 Q684 A688 Y689 K692 | E672-W676 VanDerWaalsContact O-CB 3.3Å; E672-W676 WeakPolarHBondContact O-CB 3.49Å; E672-W676 PolarHBondContact O-N 3.41Å; E674-W676 VanDerWaalsContact C-N 3.27Å; E674-W676 PolarHBondContact O-N 3.42Å; W676-Y678 PolarHBondContact O-N 2.85Å; W676-E679 CarbonylContact O-C 3.58Å; W676-E679 PolarHBondContact O-N 3.35Å; W676-G681 WeakPolarHBondContact O-CA 3.42Å; W676-G681 PolarHBondContact O-N 3Å; W676-Q684 HydrophobicContact CH2-CB 4.44Å; W676-Q684 HydrophobicContact CH2-CG 4.38Å; W676-Q684 HydrophobicContact CZ2-CB 4.4Å; W676-Q684 HydrophobicContact CZ2-CG 3.92Å; W676-A688 HydrophobicContact CH2-CB 4.19Å; W676-A688 HydrophobicContact CZ2-CB 4.26Å; W676-Y689 AromaticContact CH2-CD1 3.72Å; W676-Y689 HydrophobicContact CH2-CD1 3.72Å; W676-Y689 AromaticContact CH2-CE1 3.72Å; W676-Y689 HydrophobicContact CH2-CE1 3.72Å; W676-Y689 AromaticContact CZ3-CD1 3.72Å; W676-Y689 HydrophobicContact CZ3-CD1 3.72Å; W676-Y689 AromaticContact CZ3-CE1 3.78Å; W676-Y689 HydrophobicContact CZ3-CE1 3.78Å; W676-K692 HydrophobicContact CE3-CG 4.2Å; W676-K692 HydrophobicContact CH2-CG 4.18Å; W676-K692 HydrophobicContact CZ3-CB 4.49Å; W676-K692 HydrophobicContact CZ3-CG 3.95Å |
| 677 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -26.8 | -179.4 | -83.4 | 171 | 0 | 0 | 0 | 114.3 | K636 V639 E640 T673 E674 D675 Y689 | K636-L677 HydrophobicContact CG-CD2 3.81Å; K636-L677 PolarHBondContact NZ-O 3.41Å; V639-L677 HydrophobicContact CB-CD1 4.23Å; V639-L677 HydrophobicContact CB-CD2 4.3Å; V639-L677 HydrophobicContact CG1-CD1 3.92Å; V639-L677 HydrophobicContact CG1-CD2 4.37Å; V639-L677 HydrophobicContact CG1-CG 4.36Å; E640-L677 HydrophobicContact CB-CD1 4.11Å; T673-L677 WeakPolarHBondContact O-CG 3.35Å; T673-L677 PolarHBondContact O-N 3.19Å; E674-L677 WeakPolarHBondContact O-CB 3.45Å; E674-L677 PolarHBondContact O-N 2.98Å; D675-L677 PolarHBondContact O-N 3.45Å; L677-Y689 HydrophobicContact CD2-CD1 4.18Å; L677-Y689 HydrophobicContact CD2-CE1 4.03Å |
| 678 | Y | 93 | Very high | 94.8 | Very high | 126 Ų | 126 | 71.1 Ų | 71.1 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -102.3 | -8.8 | 178.2 | -61.6 | -61.9 | 0 | 0 | 0 | 114 | E640 Y644 E674 D675 W676 | E640-Y678 PolarHBondContact OE1-OH 3.38Å; Y644-Y678 PolarHBondContact OH-OH 3.39Å; E674-Y678 HydrophobicContact CG-CD2 4.08Å; E674-Y678 HydrophobicContact CG-CE2 3.78Å; E674-Y678 VanDerWaalsContact O-CD2 3.29Å; E674-Y678 WeakPolarHBondContact O-CD2 3.42Å; E674-Y678 PolarHBondContact O-N 3.49Å; D675-Y678 PolarHBondContact O-N 3.15Å; W676-Y678 PolarHBondContact O-N 2.85Å |
| 679 | E | 93.3 | Very high | 94.9 | Very high | 150 Ų | 150 | 63.8 Ų | 63.8 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -112.1 | 170.6 | -63.8 | -168.9 | 167.4 | 0 | 0 | 111.4 | D675 W676 G681 E682 | D675-E679 WeakPolarHBondContact O-CB 3.38Å; D675-E679 PolarHBondContact O-N 3.13Å; W676-E679 CarbonylContact O-C 3.58Å; W676-E679 PolarHBondContact O-N 3.35Å; E679-G681 PolarHBondContact O-N 3.1Å; E679-G681 VanDerWaalsContact O-N 3.08Å; E679-E682 PolarHBondContact O-N 2.97Å |
| 680 | E | 91.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 66.1 Ų | 66.1 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.1 | -174.1 | -59.8 | -172.3 | 153.5 | 0 | 0 | 114.1 | Q684 | E680-Q684 VanDerWaalsContact O-CG 3.29Å; E680-Q684 WeakPolarHBondContact O-CG 3.43Å; E680-Q684 PolarHBondContact O-NE2 3.03Å |
| 681 | G | 89.4 | Confident | 95 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | W676 E679 D683 Y689 | W676-G681 WeakPolarHBondContact O-CA 3.42Å; W676-G681 PolarHBondContact O-N 3Å; E679-G681 PolarHBondContact O-N 3.1Å; E679-G681 VanDerWaalsContact O-N 3.08Å; G681-D683 VanDerWaalsContact C-N 3.28Å; G681-D683 PolarHBondContact O-N 2.91Å; G681-Y689 VanDerWaalsContact O-CE1 3.31Å; G681-Y689 WeakPolarHBondContact O-CE1 3.45Å; G681-Y689 PolarHBondContact O-OH 3.23Å |
| 682 | E | 90.6 | Very high | 95 | Very high | 133 Ų | 133 | 69.4 Ų | 69.4 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -46.3 | -179.1 | -171.1 | -176.2 | -164.2 | 0 | 0 | 111.1 | K636 E679 Y689 | K636-E682 PolarHBondContact NZ-O 3.1Å; E679-E682 PolarHBondContact O-N 2.97Å; E682-Y689 PolarHBondContact O-OH 2.86Å |
| 683 | D | 91.9 | Very high | 95 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 71.7 | -175.3 | -167.5 | 21.1 | 0 | 0 | 0 | 112.9 | K44 R632 G681 | K44-D683 WeakPolarHBondContact CE-OD2 3.49Å; K44-D683 IonicContact NZ-OD1 2.72Å; K44-D683 PolarHBondContact NZ-OD1 3.47Å; K44-D683 IonicContact NZ-OD2 2.72Å; K44-D683 PolarHBondContact NZ-OD2 2.82Å; R632-D683 IonicContact CZ-OD1 2.7Å; R632-D683 IonicContact NH1-OD1 3.64Å; R632-D683 PolarHBondContact NH1-OD1 3.03Å; R632-D683 IonicContact NH2-OD1 2.97Å; G681-D683 VanDerWaalsContact C-N 3.28Å; G681-D683 PolarHBondContact O-N 2.91Å |
| 684 | Q | 95.2 | Very high | 95 | Very high | 77 Ų | 77 | 73 Ų | 73 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | trans | -107.6 | 161.5 | 178.6 | -70.8 | -65.6 | -20.9 | 0 | 0 | 112.7 | R632 W676 E680 A688 Y689 | R632-Q684 WeakPolarHBondContact CD-O 3.4Å; R632-Q684 PolarHBondContact NH1-O 3.41Å; W676-Q684 HydrophobicContact CH2-CB 4.44Å; W676-Q684 HydrophobicContact CH2-CG 4.38Å; W676-Q684 HydrophobicContact CZ2-CB 4.4Å; W676-Q684 HydrophobicContact CZ2-CG 3.92Å; E680-Q684 VanDerWaalsContact O-CG 3.29Å; E680-Q684 WeakPolarHBondContact O-CG 3.43Å; E680-Q684 PolarHBondContact O-NE2 3.03Å; Q684-A688 HydrophobicContact CB-CB 4.02Å; Q684-Y689 HydrophobicContact CB-CE1 4.32Å; Q684-Y689 HydrophobicContact CB-CE2 4.32Å; Q684-Y689 PolarHBondContact N-OH 2.84Å; Q684-Y689 VanDerWaalsContact O-CE2 3.25Å; Q684-Y689 WeakPolarHBondContact O-CE2 3.33Å | ||
| 685 | A | 94.9 | Very high | 95 | Very high | 66 Ų | 66 | 75.5 Ų | 75.5 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | trans | -64.4 | 146.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q687 A688 | A685-Q687 PolarHBondContact O-N 2.82Å; A685-A688 WeakPolarHBondContact O-CB 3.25Å; A685-A688 PolarHBondContact O-N 3.17Å | ||
| 686 | K | 95.8 | Very high | 95 | Very high | 76 Ų | 76 | 71.3 Ų | 71.3 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -46.7 | -37.3 | -176.2 | -174.1 | -175.3 | 178.7 | -167.3 | 0 | 114.1 | E631 R632 A635 A688 Y689 I690 | E631-K686 HydrophobicContact CB-CD 4.11Å; E631-K686 WeakPolarHBondContact O-CE 3.49Å; E631-K686 IonicContact OE2-NZ 3.83Å; E631-K686 PolarHBondContact OE2-NZ 2.88Å; R632-K686 HydrophobicContact CB-CB 4.4Å; R632-K686 HydrophobicContact CG-CB 4.35Å; A635-K686 HydrophobicContact CB-CG 4Å; K686-A688 PolarHBondContact O-N 2.97Å; K686-Y689 PolarHBondContact O-N 2.75Å; K686-I690 HydrophobicContact CG-CD1 4.14Å; K686-I690 WeakPolarHBondContact O-CG1 3.32Å; K686-I690 PolarHBondContact O-N 3.4Å |
| 687 | Q | 96.8 | Very high | 94.9 | Very high | 107 Ų | 107 | 71.4 Ų | 71.4 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | -179.5 | -168.2 | 59.9 | 44.8 | 0 | 0 | 112.8 | A685 Y689 I690 D691 | A685-Q687 PolarHBondContact O-N 2.82Å; Q687-Y689 VanDerWaalsContact C-N 3.29Å; Q687-Y689 PolarHBondContact O-N 3.21Å; Q687-I690 CarbonylContact O-C 3.58Å; Q687-I690 WeakPolarHBondContact O-CA 3.34Å; Q687-I690 WeakPolarHBondContact O-CB 3.43Å; Q687-I690 PolarHBondContact O-N 3.45Å; Q687-D691 PolarHBondContact NE2-OD1 2.76Å; Q687-D691 PolarHBondContact O-N 2.89Å |
| 688 | A | 96.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 79.1 Ų | 79.1 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W676 Q684 A685 K686 K692 | W676-A688 HydrophobicContact CH2-CB 4.19Å; W676-A688 HydrophobicContact CZ2-CB 4.26Å; Q684-A688 HydrophobicContact CB-CB 4.02Å; A685-A688 WeakPolarHBondContact O-CB 3.25Å; A685-A688 PolarHBondContact O-N 3.17Å; K686-A688 PolarHBondContact O-N 2.97Å; A688-K692 WeakPolarHBondContact O-CB 3.43Å; A688-K692 PolarHBondContact O-N 3.45Å |
| 689 | Y | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 172.9 | -57.3 | -55.1 | 0 | 0 | 0 | 112.1 | R632 A635 K636 V639 W676 L677 G681 E682 Q684 K686 Q687 L693 | R632-Y689 HydrophobicContact CG-CE2 4.16Å; A635-Y689 HydrophobicContact CB-CD2 4.49Å; K636-Y689 HydrophobicContact CB-CD1 4.08Å; K636-Y689 HydrophobicContact CB-CD2 4.01Å; K636-Y689 HydrophobicContact CB-CE1 3.95Å; K636-Y689 HydrophobicContact CB-CE2 3.86Å; K636-Y689 HydrophobicContact CB-CG 4.13Å; K636-Y689 HydrophobicContact CD-CE1 4.15Å; K636-Y689 HydrophobicContact CG-CD1 4.12Å; K636-Y689 HydrophobicContact CG-CE1 3.68Å; K636-Y689 HydrophobicContact CG-CE2 4.38Å; V639-Y689 HydrophobicContact CG2-CD1 4.5Å; V639-Y689 WeakPolarHBondContact CG2-O 3.38Å; W676-Y689 AromaticContact CH2-CD1 3.72Å; W676-Y689 HydrophobicContact CH2-CD1 3.72Å; W676-Y689 AromaticContact CH2-CE1 3.72Å; W676-Y689 HydrophobicContact CH2-CE1 3.72Å; W676-Y689 AromaticContact CZ3-CD1 3.72Å; W676-Y689 HydrophobicContact CZ3-CD1 3.72Å; W676-Y689 AromaticContact CZ3-CE1 3.78Å; W676-Y689 HydrophobicContact CZ3-CE1 3.78Å; L677-Y689 HydrophobicContact CD2-CD1 4.18Å; L677-Y689 HydrophobicContact CD2-CE1 4.03Å; G681-Y689 VanDerWaalsContact O-CE1 3.31Å; G681-Y689 WeakPolarHBondContact O-CE1 3.45Å; G681-Y689 PolarHBondContact O-OH 3.23Å; E682-Y689 PolarHBondContact O-OH 2.86Å; Q684-Y689 HydrophobicContact CB-CE1 4.32Å; Q684-Y689 HydrophobicContact CB-CE2 4.32Å; Q684-Y689 PolarHBondContact N-OH 2.84Å; Q684-Y689 VanDerWaalsContact O-CE2 3.25Å; Q684-Y689 WeakPolarHBondContact O-CE2 3.33Å; K686-Y689 PolarHBondContact O-N 2.75Å; Q687-Y689 VanDerWaalsContact C-N 3.29Å; Q687-Y689 PolarHBondContact O-N 3.21Å; Y689-L693 WeakPolarHBondContact O-CB 3.46Å; Y689-L693 PolarHBondContact O-N 2.82Å |
| 690 | I | 97 | Very high | 94.8 | Very high | 66 Ų | 66 | 67.7 Ų | 67.7 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 174.8 | -65.7 | 168.7 | 0 | 0 | 0 | 110.7 | K686 Q687 K692 L693 E694 | K686-I690 HydrophobicContact CG-CD1 4.14Å; K686-I690 WeakPolarHBondContact O-CG1 3.32Å; K686-I690 PolarHBondContact O-N 3.4Å; Q687-I690 CarbonylContact O-C 3.58Å; Q687-I690 WeakPolarHBondContact O-CA 3.34Å; Q687-I690 WeakPolarHBondContact O-CB 3.43Å; Q687-I690 PolarHBondContact O-N 3.45Å; I690-K692 VanDerWaalsContact C-N 3.33Å; I690-K692 PolarHBondContact O-N 2.95Å; I690-L693 PolarHBondContact O-N 3.09Å; I690-E694 PolarHBondContact O-N 3.28Å |
| 691 | D | 96.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 179.2 | -60.7 | -21.2 | 0 | 0 | 0 | 110.9 | Q687 E694 E695 | Q687-D691 PolarHBondContact NE2-OD1 2.76Å; Q687-D691 PolarHBondContact O-N 2.89Å; D691-E694 PolarHBondContact O-N 3.47Å; D691-E695 PolarHBondContact O-N 2.98Å |
| 692 | K | 96.2 | Very high | 95.1 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 173.2 | -83.4 | -73 | 172.6 | -168.9 | 0 | 113.2 | V639 T673 W676 A688 I690 E694 E695 L696 | V639-K692 HydrophobicContact CG1-CB 4.32Å; V639-K692 HydrophobicContact CG2-CB 4.43Å; T673-K692 HydrophobicContact CG2-CD 4.01Å; W676-K692 HydrophobicContact CE3-CG 4.2Å; W676-K692 HydrophobicContact CH2-CG 4.18Å; W676-K692 HydrophobicContact CZ3-CB 4.49Å; W676-K692 HydrophobicContact CZ3-CG 3.95Å; A688-K692 WeakPolarHBondContact O-CB 3.43Å; A688-K692 PolarHBondContact O-N 3.45Å; I690-K692 VanDerWaalsContact C-N 3.33Å; I690-K692 PolarHBondContact O-N 2.95Å; K692-E694 VanDerWaalsContact C-N 3.34Å; K692-E695 WeakPolarHBondContact CE-OE2 3.32Å; K692-E695 IonicContact NZ-OE2 3.06Å; K692-E695 PolarHBondContact NZ-OE2 3.07Å; K692-E695 PolarHBondContact O-N 3.27Å; K692-L696 WeakPolarHBondContact O-CG 3.5Å; K692-L696 PolarHBondContact O-N 2.81Å |
| 693 | L | 96.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 60.6 Ų | 60.6 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.8 | -174 | 59.1 | 0 | 0 | 0 | 111.4 | A638 V639 C642 Y689 I690 M697 | A638-L693 HydrophobicContact CB-CD2 4.19Å; V639-L693 HydrophobicContact CG2-CB 4.17Å; C642-L693 HydrophobicContact CB-CD1 3.62Å; Y689-L693 WeakPolarHBondContact O-CB 3.46Å; Y689-L693 PolarHBondContact O-N 2.82Å; I690-L693 PolarHBondContact O-N 3.09Å; L693-M697 HydrophobicContact CD1-CE 3.94Å; L693-M697 HydrophobicContact CD1-CG 4.15Å; L693-M697 HydrophobicContact CG-CG 4.34Å; L693-M697 VanDerWaalsContact O-CB 3.23Å; L693-M697 WeakPolarHBondContact O-CB 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.4Å; L693-M697 PolarHBondContact O-N 3.05Å |
| 694 | E | 96.4 | Very high | 95.3 | Very high | 133 Ų | 133 | 58.8 Ų | 58.8 | 62% | 0.621 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 174.2 | -168.9 | 178 | 159.9 | 0 | 0 | 111.7 | I690 D691 K692 L696 M697 K698 | I690-E694 PolarHBondContact O-N 3.28Å; D691-E694 PolarHBondContact O-N 3.47Å; K692-E694 VanDerWaalsContact C-N 3.34Å; E694-L696 PolarHBondContact O-N 3.19Å; E694-M697 PolarHBondContact O-N 2.93Å; E694-K698 VanDerWaalsContact O-CB 3.24Å; E694-K698 WeakPolarHBondContact O-CB 3.43Å; E694-K698 PolarHBondContact O-N 2.99Å |
| 695 | E | 96.1 | Very high | 95.3 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.7 | -176 | 171.7 | -138.2 | 0 | 0 | 112.2 | L669 D691 K692 | L669-E695 HydrophobicContact CD1-CG 4.19Å; L669-E695 HydrophobicContact CD2-CG 4.2Å; D691-E695 PolarHBondContact O-N 2.98Å; K692-E695 WeakPolarHBondContact CE-OE2 3.32Å; K692-E695 IonicContact NZ-OE2 3.06Å; K692-E695 PolarHBondContact NZ-OE2 3.07Å; K692-E695 PolarHBondContact O-N 3.27Å |
| 696 | L | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 174.6 | -65.5 | -177.7 | 0 | 0 | 0 | 111.8 | V639 C642 V643 F666 L669 L670 T673 K692 E694 K698 M699 G700 | V639-L696 HydrophobicContact CG1-CD1 4.13Å; C642-L696 HydrophobicContact CB-CD1 4.31Å; V643-L696 HydrophobicContact CG2-CD1 3.68Å; F666-L696 HydrophobicContact CE2-CD2 4.24Å; L669-L696 HydrophobicContact CD2-CD2 4.13Å; L669-L696 HydrophobicContact CG-CD2 3.91Å; L670-L696 HydrophobicContact CD2-CD1 4.37Å; L670-L696 HydrophobicContact CD2-CD2 3.9Å; L670-L696 HydrophobicContact CG-CD2 4.45Å; T673-L696 HydrophobicContact CG2-CD1 4.08Å; T673-L696 HydrophobicContact CG2-CG 4.5Å; K692-L696 WeakPolarHBondContact O-CG 3.5Å; K692-L696 PolarHBondContact O-N 2.81Å; E694-L696 PolarHBondContact O-N 3.19Å; L696-K698 PolarHBondContact O-N 3.18Å; L696-M699 PolarHBondContact O-N 3.25Å; L696-M699 VanDerWaalsContact O-N 3.1Å; L696-G700 PolarHBondContact O-N 3.07Å |
| 697 | M | 95 | Very high | 95.1 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 23% | 0.232 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -27.3 | -177.4 | -73.8 | -68.6 | 176.7 | 0 | 0 | 112.8 | C642 F646 L693 E694 M699 G700 N701 | C642-M697 HydrophobicContact CB-CE 4.41Å; F646-M697 HydrophobicContact CE2-CE 4.18Å; F646-M697 HydrophobicContact CE2-SD 3.96Å; F646-M697 HydrophobicContact CZ-SD 4.28Å; L693-M697 HydrophobicContact CD1-CE 3.94Å; L693-M697 HydrophobicContact CD1-CG 4.15Å; L693-M697 HydrophobicContact CG-CG 4.34Å; L693-M697 VanDerWaalsContact O-CB 3.23Å; L693-M697 WeakPolarHBondContact O-CB 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.4Å; L693-M697 PolarHBondContact O-N 3.05Å; E694-M697 PolarHBondContact O-N 2.93Å; M697-M699 VanDerWaalsContact C-N 3.32Å; M697-M699 PolarHBondContact O-N 3.11Å; M697-G700 PolarHBondContact O-N 3.43Å; M697-N701 WeakPolarHBondContact O-CB 3.42Å; M697-N701 VanDerWaalsContact O-CG 3.25Å; M697-N701 PolarHBondContact O-N 2.91Å; M697-N701 PolarHBondContact O-ND2 2.81Å; M697-N701 VanDerWaalsContact O-ND2 3.15Å |
| 698 | K | 95.3 | Very high | 95 | Very high | 164 Ų | 164 | 53.7 Ų | 53.7 | 71% | 0.713 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.9 | -33.3 | 173.9 | -175 | 174.4 | -176.5 | 172.7 | 0 | 113.1 | E694 L696 | E694-K698 VanDerWaalsContact O-CB 3.24Å; E694-K698 WeakPolarHBondContact O-CB 3.43Å; E694-K698 PolarHBondContact O-N 2.99Å; L696-K698 PolarHBondContact O-N 3.18Å |
| 699 | M | 91.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -83.6 | -40 | 172 | -67.4 | -80.3 | -64.3 | 0 | 0 | 111.5 | K665 F666 L669 L696 M697 | K665-M699 HydrophobicContact CB-CE 4.41Å; K665-M699 HydrophobicContact CD-CE 4.02Å; K665-M699 HydrophobicContact CG-CE 4.18Å; F666-M699 HydrophobicContact CB-CE 3.69Å; F666-M699 HydrophobicContact CD1-CB 4.14Å; F666-M699 HydrophobicContact CD2-CB 3.73Å; F666-M699 HydrophobicContact CD2-CE 4.49Å; F666-M699 HydrophobicContact CD2-CG 4.34Å; F666-M699 HydrophobicContact CE1-CB 4.19Å; F666-M699 HydrophobicContact CE2-CB 3.76Å; F666-M699 HydrophobicContact CG-CB 3.95Å; F666-M699 HydrophobicContact CG-CE 4.14Å; F666-M699 HydrophobicContact CZ-CB 4.01Å; L669-M699 HydrophobicContact CD2-CG 3.91Å; L696-M699 PolarHBondContact O-N 3.25Å; L696-M699 VanDerWaalsContact O-N 3.1Å; M697-M699 VanDerWaalsContact C-N 3.32Å; M697-M699 PolarHBondContact O-N 3.11Å |
| 700 | G | 92.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.9 | -34.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F646 L696 M697 V703 K704 | F646-G700 VanDerWaalsContact CE1-CA 3.42Å; L696-G700 PolarHBondContact O-N 3.07Å; M697-G700 PolarHBondContact O-N 3.43Å; G700-V703 PolarHBondContact O-N 3.27Å; G700-K704 WeakPolarHBondContact O-CB 3.48Å; G700-K704 PolarHBondContact O-N 3.31Å |
| 701 | N | 93.7 | Very high | 94.3 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | -177.3 | -79.7 | -33.9 | 0 | 0 | 0 | 114 | M697 V703 K704 V705 | M697-N701 WeakPolarHBondContact O-CB 3.42Å; M697-N701 VanDerWaalsContact O-CG 3.25Å; M697-N701 PolarHBondContact O-N 2.91Å; M697-N701 PolarHBondContact O-ND2 2.81Å; M697-N701 VanDerWaalsContact O-ND2 3.15Å; N701-V703 VanDerWaalsContact C-N 3.27Å; N701-V703 PolarHBondContact O-N 2.9Å; N701-K704 PolarHBondContact O-N 2.85Å; N701-V705 WeakPolarHBondContact O-CB 3.38Å; N701-V705 VanDerWaalsContact O-CG2 3.31Å; N701-V705 WeakPolarHBondContact O-CG2 3.31Å; N701-V705 PolarHBondContact O-N 3.13Å |
| 702 | P | 94.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 57 Ų | 57 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.4 | -42.1 | 173.9 | -27 | 35.4 | 0 | 0 | 0 | 112.9 | V705 R706 | P702-V705 PolarHBondContact O-N 2.83Å; P702-R706 WeakPolarHBondContact O-CB 3.29Å; P702-R706 VanDerWaalsContact O-CG 3.22Å; P702-R706 WeakPolarHBondContact O-CG 3.31Å; P702-R706 PolarHBondContact O-N 3.03Å |
| 703 | V | 93.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 179.8 | -168.1 | 0 | 0 | 0 | 0 | 111 | Y654 F657 I658 G700 N701 V705 R706 F707 | Y654-V703 HydrophobicContact CD2-CG1 4.2Å; Y654-V703 HydrophobicContact CG-CG1 3.98Å; F657-V703 HydrophobicContact CB-CG1 3.89Å; I658-V703 HydrophobicContact CB-CG1 4.2Å; I658-V703 HydrophobicContact CB-CG2 3.99Å; I658-V703 HydrophobicContact CD1-CG2 3.91Å; I658-V703 HydrophobicContact CG1-CG2 4.2Å; G700-V703 PolarHBondContact O-N 3.27Å; N701-V703 VanDerWaalsContact C-N 3.27Å; N701-V703 PolarHBondContact O-N 2.9Å; V703-V705 VanDerWaalsContact C-N 3.32Å; V703-V705 PolarHBondContact O-N 3.01Å; V703-R706 PolarHBondContact O-N 2.79Å; V703-F707 PolarHBondContact O-N 2.84Å |
| 704 | K | 93.4 | Very high | 93.9 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 22% | 0.217 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.2 | -166.2 | 155.8 | -177 | 163.6 | 0 | 111.4 | E645 F646 G700 N701 Q708 | E645-K704 VanDerWaalsContact CD-NZ 3.26Å; E645-K704 IonicContact OE1-NZ 3.92Å; E645-K704 PolarHBondContact OE1-NZ 3.3Å; E645-K704 IonicContact OE2-NZ 3.75Å; E645-K704 PolarHBondContact OE2-NZ 2.83Å; F646-K704 HydrophobicContact CZ-CD 4.31Å; G700-K704 WeakPolarHBondContact O-CB 3.48Å; G700-K704 PolarHBondContact O-N 3.31Å; N701-K704 PolarHBondContact O-N 2.85Å; K704-Q708 VanDerWaalsContact O-CG 3.28Å; K704-Q708 WeakPolarHBondContact O-CG 3.2Å; K704-Q708 PolarHBondContact O-N 3.28Å; K704-Q708 VanDerWaalsContact O-N 3.08Å |
| 705 | V | 93.5 | Very high | 93.8 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 28% | 0.279 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.1 | -44 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 112 | N701 P702 V703 F707 Q708 E709 | N701-V705 WeakPolarHBondContact O-CB 3.38Å; N701-V705 VanDerWaalsContact O-CG2 3.31Å; N701-V705 WeakPolarHBondContact O-CG2 3.31Å; N701-V705 PolarHBondContact O-N 3.13Å; P702-V705 PolarHBondContact O-N 2.83Å; V703-V705 VanDerWaalsContact C-N 3.32Å; V703-V705 PolarHBondContact O-N 3.01Å; V705-F707 VanDerWaalsContact C-N 3.32Å; V705-F707 PolarHBondContact O-N 2.93Å; V705-Q708 PolarHBondContact O-N 3.38Å; V705-E709 HydrophobicContact CG1-CG 4.14Å; V705-E709 VanDerWaalsContact O-CB 3.28Å; V705-E709 WeakPolarHBondContact O-CB 3.34Å; V705-E709 WeakPolarHBondContact O-CG 3.45Å; V705-E709 PolarHBondContact O-N 2.8Å |
| 706 | R | 94.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 177.2 | -73.1 | 166.7 | -165.8 | 161.2 | 1.2 | 112.3 | F657 P702 V703 A710 D776 D778 | F657-R706 HydrophobicContact CB-CB 4.14Å; F657-R706 HydrophobicContact CD1-CB 4.01Å; F657-R706 WeakPolarHBondContact O-CD 3.37Å; F657-R706 PolarHBondContact O-NH1 3.38Å; P702-R706 WeakPolarHBondContact O-CB 3.29Å; P702-R706 VanDerWaalsContact O-CG 3.22Å; P702-R706 WeakPolarHBondContact O-CG 3.31Å; P702-R706 PolarHBondContact O-N 3.03Å; V703-R706 PolarHBondContact O-N 2.79Å; R706-A710 PolarHBondContact O-N 2.8Å; R706-A710 VanDerWaalsContact O-N 3.15Å; R706-D776 PolarHBondContact NE-O 2.8Å; R706-D776 PolarHBondContact NH1-O 2.96Å; R706-D778 IonicContact CZ-OD1 3.7Å; R706-D778 IonicContact NE-OD1 3.9Å; R706-D778 PolarHBondContact NE-OD1 3.36Å; R706-D778 IonicContact NH2-OD1 3.59Å; R706-D778 PolarHBondContact NH2-OD1 2.73Å |
| 707 | F | 93.8 | Very high | 93.5 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -52.9 | 173 | 176.6 | -90.4 | 0 | 0 | 0 | 111.5 | P653 Y654 F657 V703 V705 E709 A710 E711 | P653-F707 HydrophobicContact CB-CD2 4.25Å; P653-F707 HydrophobicContact CB-CE2 3.64Å; P653-F707 HydrophobicContact CB-CZ 4.21Å; Y654-F707 HydrophobicContact CD1-CB 3.91Å; Y654-F707 AromaticContact CD1-CD2 3.96Å; Y654-F707 HydrophobicContact CD1-CD2 3.96Å; Y654-F707 AromaticContact CD1-CG 3.85Å; Y654-F707 HydrophobicContact CD1-CG 3.85Å; Y654-F707 HydrophobicContact CE1-CB 3.94Å; Y654-F707 AromaticContact CE1-CD1 3.99Å; Y654-F707 HydrophobicContact CE1-CD1 3.99Å; Y654-F707 HydrophobicContact CE1-CD2 4.24Å; Y654-F707 AromaticContact CE1-CG 3.77Å; Y654-F707 HydrophobicContact CE1-CG 3.77Å; F657-F707 HydrophobicContact CD2-CB 4.25Å; F657-F707 AromaticContact CD2-CD2 3.96Å; F657-F707 HydrophobicContact CD2-CD2 3.96Å; F657-F707 HydrophobicContact CE2-CB 4.49Å; F657-F707 AromaticContact CE2-CD2 3.63Å; F657-F707 HydrophobicContact CE2-CD2 3.63Å; F657-F707 HydrophobicContact CE2-CE2 4.38Å; F657-F707 HydrophobicContact CG-CB 4.24Å; F657-F707 HydrophobicContact CZ-CD2 4.17Å; V703-F707 PolarHBondContact O-N 2.84Å; V705-F707 VanDerWaalsContact C-N 3.32Å; V705-F707 PolarHBondContact O-N 2.93Å; F707-E709 VanDerWaalsContact C-N 3.35Å; F707-E709 PolarHBondContact O-N 3.26Å; F707-A710 WeakPolarHBondContact O-CB 3.4Å; F707-A710 PolarHBondContact O-N 2.95Å; F707-E711 HydrophobicContact CE1-CG 4.08Å; F707-E711 VanDerWaalsContact CE1-OE2 3.31Å; F707-E711 WeakPolarHBondContact CE1-OE2 3.45Å; F707-E711 HydrophobicContact CZ-CG 4.01Å; F707-E711 PolarHBondContact O-N 2.84Å; F707-E711 VanDerWaalsContact O-N 3.13Å |
| 708 | Q | 93.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 178.5 | -72.6 | 170.9 | -26.9 | 0 | 0 | 112.4 | K704 V705 A710 E711 E712 | K704-Q708 VanDerWaalsContact O-CG 3.28Å; K704-Q708 WeakPolarHBondContact O-CG 3.2Å; K704-Q708 PolarHBondContact O-N 3.28Å; K704-Q708 VanDerWaalsContact O-N 3.08Å; V705-Q708 PolarHBondContact O-N 3.38Å; Q708-A710 PolarHBondContact O-N 3.05Å; Q708-E711 PolarHBondContact O-N 3.31Å; Q708-E711 VanDerWaalsContact O-N 3.17Å; Q708-E712 PolarHBondContact O-N 3.09Å |
| 709 | E | 94.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.8 | -1.7 | 175.7 | -70.4 | -74.6 | -170.3 | 0 | 0 | 114 | V705 F707 R713 P779 R782 T783 | V705-E709 HydrophobicContact CG1-CG 4.14Å; V705-E709 VanDerWaalsContact O-CB 3.28Å; V705-E709 WeakPolarHBondContact O-CB 3.34Å; V705-E709 WeakPolarHBondContact O-CG 3.45Å; V705-E709 PolarHBondContact O-N 2.8Å; F707-E709 VanDerWaalsContact C-N 3.35Å; F707-E709 PolarHBondContact O-N 3.26Å; E709-R713 WeakPolarHBondContact O-CB 3.48Å; E709-R713 PolarHBondContact O-NE 2.71Å; E709-R713 PolarHBondContact O-NH2 3.31Å; E709-P779 HydrophobicContact CB-CG 3.96Å; E709-P779 HydrophobicContact CG-CG 4.17Å; E709-R782 WeakPolarHBondContact OE1-CA 3.5Å; E709-R782 WeakPolarHBondContact OE1-CB 3.43Å; E709-T783 PolarHBondContact OE1-N 2.94Å; E709-T783 VanDerWaalsContact OE2-CB 3.28Å; E709-T783 WeakPolarHBondContact OE2-CB 3.41Å; E709-T783 PolarHBondContact OE2-N 3.38Å; E709-T783 PolarHBondContact OE2-OG1 2.86Å |
| 710 | A | 91.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -98.5 | -30.5 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | F657 R706 F707 Q708 P714 | F657-A710 HydrophobicContact CE1-CB 3.49Å; F657-A710 VanDerWaalsContact CE1-CB 3.49Å; F657-A710 HydrophobicContact CZ-CB 3.87Å; R706-A710 PolarHBondContact O-N 2.8Å; R706-A710 VanDerWaalsContact O-N 3.15Å; F707-A710 WeakPolarHBondContact O-CB 3.4Å; F707-A710 PolarHBondContact O-N 2.95Å; Q708-A710 PolarHBondContact O-N 3.05Å; A710-P714 WeakPolarHBondContact O-CD 3.41Å; A710-P714 WeakPolarHBondContact O-CG 3.44Å |
| 711 | E | 92.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 53 Ų | 53 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.2 | -40.7 | 177.6 | -68.6 | -150.9 | 115.3 | 0 | 0 | 114.6 | F707 Q708 K715 | F707-E711 HydrophobicContact CE1-CG 4.08Å; F707-E711 VanDerWaalsContact CE1-OE2 3.31Å; F707-E711 WeakPolarHBondContact CE1-OE2 3.45Å; F707-E711 HydrophobicContact CZ-CG 4.01Å; F707-E711 PolarHBondContact O-N 2.84Å; F707-E711 VanDerWaalsContact O-N 3.13Å; Q708-E711 PolarHBondContact O-N 3.31Å; Q708-E711 VanDerWaalsContact O-N 3.17Å; E711-K715 WeakPolarHBondContact O-CD 3.39Å; E711-K715 WeakPolarHBondContact O-CE 3.26Å; E711-K715 PolarHBondContact O-NZ 2.91Å |
| 712 | E | 93.5 | Very high | 93.3 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -81.6 | -43.2 | -178.4 | -76.6 | -160.7 | -149.6 | 0 | 0 | 112.4 | Q708 K715 V716 T783 R787 | Q708-E712 PolarHBondContact O-N 3.09Å; E712-K715 VanDerWaalsContact O-CB 3.29Å; E712-K715 WeakPolarHBondContact O-CB 3.48Å; E712-K715 PolarHBondContact O-N 2.92Å; E712-V716 PolarHBondContact O-N 3.14Å; E712-T783 HydrophobicContact CB-CG2 4.23Å; E712-R787 IonicContact OE2-NH2 2.85Å; E712-R787 PolarHBondContact OE2-NH2 2.87Å |
| 713 | R | 94.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | -166.6 | -168.5 | 163.1 | 49.7 | 130.5 | 6.4 | 115.4 | E709 K715 V716 L717 Q770 P779 V781 T783 I786 | E709-R713 WeakPolarHBondContact O-CB 3.48Å; E709-R713 PolarHBondContact O-NE 2.71Å; E709-R713 PolarHBondContact O-NH2 3.31Å; R713-K715 VanDerWaalsContact C-N 3.27Å; R713-K715 PolarHBondContact O-N 3.43Å; R713-V716 PolarHBondContact O-N 3Å; R713-L717 HydrophobicContact CG-CD1 4.26Å; R713-L717 HydrophobicContact CG-CG 4.48Å; R713-L717 WeakPolarHBondContact O-CB 3.34Å; R713-L717 WeakPolarHBondContact O-CG 3.14Å; R713-L717 PolarHBondContact O-N 3.48Å; R713-Q770 VanDerWaalsContact NH2-CD 3.27Å; R713-P779 VanDerWaalsContact NH1-CB 3.26Å; R713-V781 WeakPolarHBondContact CD-O 3.41Å; R713-V781 PolarHBondContact NH1-O 2.89Å; R713-T783 WeakPolarHBondContact CA-OG1 3.1Å; R713-T783 WeakPolarHBondContact CB-OG1 3.5Å; R713-I786 HydrophobicContact CG-CD1 3.5Å |
| 714 | P | 92.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 173.7 | -23.9 | 35.3 | 0 | 0 | 0 | 112.4 | A710 L717 E718 | A710-P714 WeakPolarHBondContact O-CD 3.41Å; A710-P714 WeakPolarHBondContact O-CG 3.44Å; P714-L717 PolarHBondContact O-N 3.34Å; P714-E718 WeakPolarHBondContact O-CB 3.29Å; P714-E718 PolarHBondContact O-N 3.42Å |
| 715 | K | 93.9 | Very high | 93.1 | Very high | 126 Ų | 126 | 59.3 Ų | 59.3 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | -179.2 | -53.7 | 164.1 | -178.3 | 144.3 | 0 | 111.1 | E711 E712 R713 E718 E719 | E711-K715 WeakPolarHBondContact O-CD 3.39Å; E711-K715 WeakPolarHBondContact O-CE 3.26Å; E711-K715 PolarHBondContact O-NZ 2.91Å; E712-K715 VanDerWaalsContact O-CB 3.29Å; E712-K715 WeakPolarHBondContact O-CB 3.48Å; E712-K715 PolarHBondContact O-N 2.92Å; R713-K715 VanDerWaalsContact C-N 3.27Å; R713-K715 PolarHBondContact O-N 3.43Å; K715-E718 WeakPolarHBondContact O-CB 3.24Å; K715-E718 PolarHBondContact O-N 3.07Å; K715-E719 PolarHBondContact O-N 3.43Å |
| 716 | V | 92.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.6 | -28.9 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | E712 R713 E718 L720 T783 I786 R787 | E712-V716 PolarHBondContact O-N 3.14Å; R713-V716 PolarHBondContact O-N 3Å; V716-E718 VanDerWaalsContact C-N 3.35Å; V716-L720 PolarHBondContact O-N 3.06Å; V716-T783 HydrophobicContact CB-CG2 4.15Å; V716-T783 HydrophobicContact CG1-CG2 4.36Å; V716-T783 HydrophobicContact CG2-CG2 3.72Å; V716-I786 HydrophobicContact CG1-CB 3.99Å; V716-I786 HydrophobicContact CG1-CG2 3.77Å; V716-R787 HydrophobicContact CG1-CG 3.68Å |
| 717 | L | 92.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 165.7 | -75 | 172 | 0 | 0 | 0 | 111.6 | R713 P714 L720 G721 M763 M767 I786 | R713-L717 HydrophobicContact CG-CD1 4.26Å; R713-L717 HydrophobicContact CG-CG 4.48Å; R713-L717 WeakPolarHBondContact O-CB 3.34Å; R713-L717 WeakPolarHBondContact O-CG 3.14Å; R713-L717 PolarHBondContact O-N 3.48Å; P714-L717 PolarHBondContact O-N 3.34Å; L717-L720 PolarHBondContact O-N 3.3Å; L717-G721 PolarHBondContact O-N 3.49Å; L717-M763 HydrophobicContact CB-CE 4.32Å; L717-M763 HydrophobicContact CD2-CE 4.48Å; L717-M763 HydrophobicContact CD2-CG 4.37Å; L717-M763 WeakPolarHBondContact O-CE 3.17Å; L717-M767 HydrophobicContact CD1-CG 4.31Å; L717-I786 HydrophobicContact CD2-CD1 3.76Å; L717-I786 HydrophobicContact CD2-CG1 4.09Å; L717-I786 HydrophobicContact CD2-CG2 4.1Å; L717-I786 HydrophobicContact CG-CD1 3.8Å |
| 718 | E | 93.1 | Very high | 92.7 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 173.2 | -162.5 | -169.6 | 149.8 | 0 | 0 | 111.5 | P714 K715 V716 L720 G721 Q722 | P714-E718 WeakPolarHBondContact O-CB 3.29Å; P714-E718 PolarHBondContact O-N 3.42Å; K715-E718 WeakPolarHBondContact O-CB 3.24Å; K715-E718 PolarHBondContact O-N 3.07Å; V716-E718 VanDerWaalsContact C-N 3.35Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 3.18Å; E718-G721 CarbonylContact O-C 3.58Å; E718-G721 WeakPolarHBondContact O-CA 3.38Å; E718-G721 PolarHBondContact O-N 3.4Å; E718-Q722 WeakPolarHBondContact O-CG 3.49Å; E718-Q722 PolarHBondContact O-N 2.93Å; E718-Q722 PolarHBondContact OE1-NE2 2.96Å |
| 719 | E | 93 | Very high | 92.6 | Very high | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.6 | -48.2 | 173.4 | -172.9 | -169.5 | 160 | 0 | 0 | 111.7 | K715 G721 Q722 R723 | K715-E719 PolarHBondContact O-N 3.43Å; E719-G721 PolarHBondContact O-N 3.45Å; E719-Q722 PolarHBondContact O-N 3.45Å; E719-R723 WeakPolarHBondContact O-CB 3.38Å; E719-R723 PolarHBondContact O-N 3.21Å |
| 720 | L | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.8 | 178.8 | 60.1 | 0 | 0 | 0 | 111.9 | V716 L717 E718 R723 L724 V759 W762 M763 I786 V790 L793 | V716-L720 PolarHBondContact O-N 3.06Å; L717-L720 PolarHBondContact O-N 3.3Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 3.18Å; L720-R723 PolarHBondContact O-N 2.71Å; L720-L724 HydrophobicContact CD1-CD1 4.29Å; L720-L724 HydrophobicContact CD1-CG 4.25Å; L720-L724 HydrophobicContact CG-CD1 4.05Å; L720-L724 HydrophobicContact CG-CG 4.47Å; L720-L724 WeakPolarHBondContact O-CB 3.41Å; L720-L724 WeakPolarHBondContact O-CG 3.47Å; L720-L724 PolarHBondContact O-N 2.54Å; L720-V759 HydrophobicContact CD1-CG1 3.89Å; L720-V759 HydrophobicContact CD2-CG1 4.33Å; L720-W762 HydrophobicContact CD2-CE3 4.33Å; L720-W762 HydrophobicContact CD2-CZ3 3.81Å; L720-M763 HydrophobicContact CB-SD 4.48Å; L720-M763 HydrophobicContact CD2-CB 4.33Å; L720-M763 HydrophobicContact CD2-CG 4.31Å; L720-M763 HydrophobicContact CD2-SD 4.01Å; L720-M763 HydrophobicContact CG-SD 4.01Å; L720-I786 HydrophobicContact CB-CG2 4.2Å; L720-I786 HydrophobicContact CD2-CG2 3.92Å; L720-V790 HydrophobicContact CB-CG2 3.74Å; L720-V790 HydrophobicContact CD1-CG2 3.75Å; L720-V790 HydrophobicContact CG-CG2 4.27Å; L720-L793 HydrophobicContact CD1-CD2 4.02Å |
| 721 | G | 92.8 | Very high | 92 | Very high | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L717 E718 E719 R723 L724 Q725 | L717-G721 PolarHBondContact O-N 3.49Å; E718-G721 CarbonylContact O-C 3.58Å; E718-G721 WeakPolarHBondContact O-CA 3.38Å; E718-G721 PolarHBondContact O-N 3.4Å; E719-G721 PolarHBondContact O-N 3.45Å; G721-R723 VanDerWaalsContact C-N 3.35Å; G721-R723 PolarHBondContact O-N 3.23Å; G721-L724 PolarHBondContact O-N 3.1Å; G721-Q725 WeakPolarHBondContact O-CB 3.16Å; G721-Q725 VanDerWaalsContact O-CG 3.32Å; G721-Q725 WeakPolarHBondContact O-CG 3.25Å; G721-Q725 PolarHBondContact O-N 3.13Å |
| 722 | Q | 93.4 | Very high | 91.7 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.9 | -67.6 | 178.3 | 19.1 | 0 | 0 | 111.2 | E718 E719 Q725 H726 | E718-Q722 WeakPolarHBondContact O-CG 3.49Å; E718-Q722 PolarHBondContact O-N 2.93Å; E718-Q722 PolarHBondContact OE1-NE2 2.96Å; E719-Q722 PolarHBondContact O-N 3.45Å; Q722-Q725 PolarHBondContact O-N 3.46Å; Q722-H726 WeakPolarHBondContact O-CB 3.49Å; Q722-H726 PolarHBondContact O-N 3.26Å |
| 723 | R | 91.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 177.3 | -156.4 | 77.7 | -174.1 | 113.9 | -12.6 | 112.4 | E719 L720 G721 H726 Y727 L793 N794 E798 | E719-R723 WeakPolarHBondContact O-CB 3.38Å; E719-R723 PolarHBondContact O-N 3.21Å; L720-R723 PolarHBondContact O-N 2.71Å; G721-R723 VanDerWaalsContact C-N 3.35Å; G721-R723 PolarHBondContact O-N 3.23Å; R723-H726 PolarHBondContact NH1-CD2 2.58Å; R723-H726 PolarHBondContact NH1-NE2 3.26Å; R723-H726 WeakPolarHBondContact O-CB 3.35Å; R723-H726 PolarHBondContact O-N 3.27Å; R723-Y727 HydrophobicContact CG-CD2 4.25Å; R723-Y727 HydrophobicContact CG-CE2 3.6Å; R723-Y727 PolarHBondContact NE-OH 3.3Å; R723-Y727 PolarHBondContact NH2-OH 3.27Å; R723-Y727 WeakPolarHBondContact O-CD2 3.5Å; R723-Y727 PolarHBondContact O-N 2.91Å; R723-L793 HydrophobicContact CB-CD2 4.44Å; R723-L793 HydrophobicContact CG-CD2 4.33Å; R723-N794 WeakPolarHBondContact CD-OD1 3.45Å; R723-N794 VanDerWaalsContact CG-OD1 3.29Å; R723-N794 WeakPolarHBondContact CG-OD1 3.38Å; R723-N794 PolarHBondContact NE-OD1 3.26Å; R723-E798 IonicContact CZ-OE1 2.97Å; R723-E798 IonicContact NE-OE1 3.37Å; R723-E798 IonicContact NH2-OE1 2.79Å; R723-E798 PolarHBondContact NH2-OE1 2.78Å |
| 724 | L | 93.2 | Very high | 91 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 172.7 | -76.4 | 168.4 | 0 | 0 | 0 | 111.6 | L720 G721 H726 Y727 A728 V756 V759 M760 M763 L793 | L720-L724 HydrophobicContact CD1-CD1 4.29Å; L720-L724 HydrophobicContact CD1-CG 4.25Å; L720-L724 HydrophobicContact CG-CD1 4.05Å; L720-L724 HydrophobicContact CG-CG 4.47Å; L720-L724 WeakPolarHBondContact O-CB 3.41Å; L720-L724 WeakPolarHBondContact O-CG 3.47Å; L720-L724 PolarHBondContact O-N 2.54Å; G721-L724 PolarHBondContact O-N 3.1Å; L724-H726 VanDerWaalsContact C-N 3.32Å; L724-H726 PolarHBondContact O-N 3.03Å; L724-Y727 PolarHBondContact O-N 3.31Å; L724-A728 WeakPolarHBondContact O-CB 3.46Å; L724-A728 PolarHBondContact O-N 2.94Å; L724-V756 HydrophobicContact CD2-CB 4.41Å; L724-V756 HydrophobicContact CD2-CG1 4.07Å; L724-V756 WeakPolarHBondContact CD2-O 3.34Å; L724-V759 HydrophobicContact CD1-CG1 4.41Å; L724-V759 HydrophobicContact CD2-CB 4.1Å; L724-V759 HydrophobicContact CD2-CG1 4.08Å; L724-M760 HydrophobicContact CB-CE 4.49Å; L724-M760 HydrophobicContact CD1-CB 4.2Å; L724-M760 HydrophobicContact CD2-CB 4.4Å; L724-M763 HydrophobicContact CD1-SD 3.74Å; L724-L793 HydrophobicContact CD2-CD1 4.11Å; L724-L793 HydrophobicContact CD2-CD2 3.64Å; L724-L793 HydrophobicContact CG-CD2 3.92Å |
| 725 | Q | 92.1 | Very high | 90.5 | Very high | 143 Ų | 143 | 57.6 Ų | 57.6 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60 | -40.4 | 176.1 | -74.9 | 177.6 | 12.3 | 0 | 0 | 112.2 | G721 Q722 K729 | G721-Q725 WeakPolarHBondContact O-CB 3.16Å; G721-Q725 VanDerWaalsContact O-CG 3.32Å; G721-Q725 WeakPolarHBondContact O-CG 3.25Å; G721-Q725 PolarHBondContact O-N 3.13Å; Q722-Q725 PolarHBondContact O-N 3.46Å; Q725-K729 WeakPolarHBondContact O-CB 3.44Å; Q725-K729 PolarHBondContact O-N 3.02Å |
| 726 | H | 92.4 | Very high | 90.1 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 177 | 177.3 | 105.2 | 0 | 0 | 0 | 112.3 | Q722 R723 L724 K729 I730 | Q722-H726 WeakPolarHBondContact O-CB 3.49Å; Q722-H726 PolarHBondContact O-N 3.26Å; R723-H726 PolarHBondContact NH1-CD2 2.58Å; R723-H726 PolarHBondContact NH1-NE2 3.26Å; R723-H726 WeakPolarHBondContact O-CB 3.35Å; R723-H726 PolarHBondContact O-N 3.27Å; L724-H726 VanDerWaalsContact C-N 3.32Å; L724-H726 PolarHBondContact O-N 3.03Å; H726-K729 PolarHBondContact O-N 2.91Å; H726-I730 WeakPolarHBondContact O-CG1 3.44Å; H726-I730 PolarHBondContact O-N 3.24Å; H726-I730 VanDerWaalsContact O-N 3.08Å |
| 727 | Y | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.3 | -38.2 | 178.1 | -62.5 | -54.2 | 0 | 0 | 0 | 112.9 | R723 L724 K729 I730 A731 V756 L793 N794 C797 E798 V801 | R723-Y727 HydrophobicContact CG-CD2 4.25Å; R723-Y727 HydrophobicContact CG-CE2 3.6Å; R723-Y727 PolarHBondContact NE-OH 3.3Å; R723-Y727 PolarHBondContact NH2-OH 3.27Å; R723-Y727 WeakPolarHBondContact O-CD2 3.5Å; R723-Y727 PolarHBondContact O-N 2.91Å; L724-Y727 PolarHBondContact O-N 3.31Å; Y727-K729 PolarHBondContact O-N 3.37Å; Y727-I730 PolarHBondContact O-N 2.94Å; Y727-I730 VanDerWaalsContact O-N 3.15Å; Y727-A731 PolarHBondContact O-N 3.09Å; Y727-V756 VanDerWaalsContact CB-CG2 3.46Å; Y727-V756 HydrophobicContact CD2-CG2 4.44Å; Y727-V756 HydrophobicContact CG-CG2 4.36Å; Y727-L793 HydrophobicContact CD2-CD1 4.33Å; Y727-L793 HydrophobicContact CD2-CD2 3.95Å; Y727-L793 HydrophobicContact CD2-CG 3.93Å; Y727-L793 HydrophobicContact CE2-CD2 3.98Å; Y727-L793 HydrophobicContact CE2-CG 3.8Å; Y727-N794 PolarHBondContact OH-OD1 3.08Å; Y727-C797 HydrophobicContact CD1-CB 3.61Å; Y727-C797 HydrophobicContact CD2-CB 3.91Å; Y727-C797 HydrophobicContact CE1-CB 3.4Å; Y727-C797 VanDerWaalsContact CE1-CB 3.4Å; Y727-C797 HydrophobicContact CE2-CB 3.71Å; Y727-C797 HydrophobicContact CG-CB 3.87Å; Y727-C797 VanDerWaalsContact CZ-CB 3.45Å; Y727-E798 WeakPolarHBondContact OH-CG 3.11Å; Y727-V801 HydrophobicContact CD1-CG1 4.23Å; Y727-V801 HydrophobicContact CD1-CG2 4.31Å; Y727-V801 HydrophobicContact CE1-CG2 4.01Å |
| 728 | A | 89.8 | Confident | 89 | Confident | 33 Ų | 33 | 65 Ų | 65 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L724 A732 V756 | L724-A728 WeakPolarHBondContact O-CB 3.46Å; L724-A728 PolarHBondContact O-N 2.94Å; A728-A732 PolarHBondContact O-N 3.18Å; A728-A732 VanDerWaalsContact O-N 3.07Å; A728-V756 HydrophobicContact CB-CG1 4.08Å |
| 729 | K | 90.8 | Very high | 88.1 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65 | -50 | 171.5 | -174.4 | -177.5 | 173.1 | -174.5 | 0 | 111.4 | Q725 H726 Y727 A731 A732 D733 | Q725-K729 WeakPolarHBondContact O-CB 3.44Å; Q725-K729 PolarHBondContact O-N 3.02Å; H726-K729 PolarHBondContact O-N 2.91Å; Y727-K729 PolarHBondContact O-N 3.37Å; K729-A731 VanDerWaalsContact C-N 3.26Å; K729-A731 PolarHBondContact O-N 3.4Å; K729-A732 CarbonylContact O-C 3.48Å; K729-A732 WeakPolarHBondContact O-CA 3.49Å; K729-A732 WeakPolarHBondContact O-CB 3.35Å; K729-A732 PolarHBondContact O-N 3.01Å; K729-D733 WeakPolarHBondContact CE-OD1 3.36Å; K729-D733 VanDerWaalsContact CE-OD2 3.27Å; K729-D733 WeakPolarHBondContact CE-OD2 3.39Å; K729-D733 VanDerWaalsContact O-CG 3.29Å; K729-D733 PolarHBondContact O-N 2.87Å |
| 730 | I | 87.5 | Confident | 87.2 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | -179.8 | -67.6 | 172.3 | 0 | 0 | 0 | 111.7 | H726 Y727 D733 F734 Y741 M749 V801 | H726-I730 WeakPolarHBondContact O-CG1 3.44Å; H726-I730 PolarHBondContact O-N 3.24Å; H726-I730 VanDerWaalsContact O-N 3.08Å; Y727-I730 PolarHBondContact O-N 2.94Å; Y727-I730 VanDerWaalsContact O-N 3.15Å; I730-D733 PolarHBondContact O-N 3.27Å; I730-F734 WeakPolarHBondContact O-CB 3.49Å; I730-F734 PolarHBondContact O-N 2.87Å; I730-Y741 HydrophobicContact CD1-CE1 4.43Å; I730-Y741 HydrophobicContact CG1-CE1 4.4Å; I730-Y741 HydrophobicContact CG1-CE2 4.27Å; I730-Y741 HydrophobicContact CG2-CD1 3.79Å; I730-Y741 HydrophobicContact CG2-CD2 4.25Å; I730-Y741 HydrophobicContact CG2-CE1 3.62Å; I730-Y741 HydrophobicContact CG2-CE2 4.1Å; I730-Y741 HydrophobicContact CG2-CG 4.11Å; I730-M749 HydrophobicContact CG2-CE 4.25Å; I730-V801 HydrophobicContact CB-CG1 4.39Å; I730-V801 HydrophobicContact CD1-CB 4.03Å; I730-V801 HydrophobicContact CD1-CG1 4.24Å; I730-V801 HydrophobicContact CD1-CG2 4.1Å; I730-V801 HydrophobicContact CG2-CB 4.05Å; I730-V801 HydrophobicContact CG2-CG1 3.72Å |
| 731 | A | 85.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y727 K729 R735 M749 E753 | Y727-A731 PolarHBondContact O-N 3.09Å; K729-A731 VanDerWaalsContact C-N 3.26Å; K729-A731 PolarHBondContact O-N 3.4Å; A731-R735 VanDerWaalsContact O-CG 3.3Å; A731-R735 WeakPolarHBondContact O-CG 3.44Å; A731-R735 PolarHBondContact O-N 3.13Å; A731-R735 PolarHBondContact O-NE 3.48Å; A731-M749 HydrophobicContact CB-SD 4.33Å; A731-E753 HydrophobicContact CB-CG 3.71Å |
| 732 | A | 85.9 | Confident | 85.8 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A728 K729 F734 R735 S736 | A728-A732 PolarHBondContact O-N 3.18Å; A728-A732 VanDerWaalsContact O-N 3.07Å; K729-A732 CarbonylContact O-C 3.48Å; K729-A732 WeakPolarHBondContact O-CA 3.49Å; K729-A732 WeakPolarHBondContact O-CB 3.35Å; K729-A732 PolarHBondContact O-N 3.01Å; A732-F734 VanDerWaalsContact C-N 3.34Å; A732-F734 PolarHBondContact O-N 2.85Å; A732-R735 PolarHBondContact O-N 3.17Å; A732-S736 PolarHBondContact O-N 2.8Å |
| 733 | D | 87.1 | Confident | 85.1 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.6 | -63 | -13.7 | 0 | 0 | 0 | 109.7 | K729 I730 S736 K737 D738 Y741 | K729-D733 WeakPolarHBondContact CE-OD1 3.36Å; K729-D733 VanDerWaalsContact CE-OD2 3.27Å; K729-D733 WeakPolarHBondContact CE-OD2 3.39Å; K729-D733 VanDerWaalsContact O-CG 3.29Å; K729-D733 PolarHBondContact O-N 2.87Å; I730-D733 PolarHBondContact O-N 3.27Å; D733-S736 CarbonylContact O-C 3.55Å; D733-S736 PolarHBondContact O-N 3.2Å; D733-S736 PolarHBondContact O-OG 3.09Å; D733-K737 PolarHBondContact O-N 2.87Å; D733-D738 HydrophobicContact CB-CB 4.03Å; D733-D738 WeakPolarHBondContact O-CB 3.23Å; D733-D738 PolarHBondContact O-N 2.9Å; D733-Y741 HydrophobicContact CB-CD2 4.12Å; D733-Y741 HydrophobicContact CB-CE2 4.38Å |
| 734 | F | 85.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 171.7 | 180 | -96.4 | 0 | 0 | 0 | 112.9 | I730 A732 S736 K737 Y741 I744 E746 M749 | I730-F734 WeakPolarHBondContact O-CB 3.49Å; I730-F734 PolarHBondContact O-N 2.87Å; A732-F734 VanDerWaalsContact C-N 3.34Å; A732-F734 PolarHBondContact O-N 2.85Å; F734-S736 PolarHBondContact O-N 2.81Å; F734-K737 WeakPolarHBondContact O-CA 3.48Å; F734-K737 PolarHBondContact O-N 3.18Å; F734-Y741 WeakPolarHBondContact CD2-O 3.4Å; F734-Y741 WeakPolarHBondContact CE2-O 3.32Å; F734-I744 HydrophobicContact CE2-CB 4.21Å; F734-I744 WeakPolarHBondContact CE2-O 3.49Å; F734-E746 HydrophobicContact CE1-CG 4.49Å; F734-M749 HydrophobicContact CB-CE 4.06Å; F734-M749 HydrophobicContact CB-CG 4.31Å; F734-M749 HydrophobicContact CD1-CB 4.14Å; F734-M749 HydrophobicContact CD1-CG 3.62Å; F734-M749 HydrophobicContact CD2-CE 3.92Å; F734-M749 HydrophobicContact CD2-CG 4.4Å; F734-M749 HydrophobicContact CE1-CB 3.94Å; F734-M749 HydrophobicContact CE1-CG 3.95Å; F734-M749 HydrophobicContact CG-CE 3.99Å; F734-M749 HydrophobicContact CG-CG 3.87Å; F734-M749 HydrophobicContact CZ-CB 4.15Å; F734-M749 HydrophobicContact CZ-CG 4.48Å |
| 735 | R | 82.6 | Confident | 84 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.3 | -28.7 | 176.5 | -72.4 | 178 | -60.5 | -138.7 | 4.4 | 113.1 | A731 A732 K737 E753 | A731-R735 VanDerWaalsContact O-CG 3.3Å; A731-R735 WeakPolarHBondContact O-CG 3.44Å; A731-R735 PolarHBondContact O-N 3.13Å; A731-R735 PolarHBondContact O-NE 3.48Å; A732-R735 PolarHBondContact O-N 3.17Å; R735-K737 PolarHBondContact O-N 3.06Å; R735-E753 WeakPolarHBondContact CD-OE1 3.36Å; R735-E753 IonicContact CZ-OE1 2.69Å; R735-E753 IonicContact NE-OE1 3.35Å; R735-E753 VanDerWaalsContact NH1-CD 3.35Å; R735-E753 IonicContact NH1-OE1 2.69Å; R735-E753 PolarHBondContact NH1-OE1 2.82Å; R735-E753 IonicContact NH1-OE2 3.57Å |
| 736 | S | 84.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.9 | 172.6 | 80.4 | 0 | 0 | 0 | 0 | 114.1 | A732 D733 F734 | A732-S736 PolarHBondContact O-N 2.8Å; D733-S736 CarbonylContact O-C 3.55Å; D733-S736 PolarHBondContact O-N 3.2Å; D733-S736 PolarHBondContact O-OG 3.09Å; F734-S736 PolarHBondContact O-N 2.81Å |
| 737 | K | 81.4 | Confident | 83.1 | Confident | 162 Ų | 162 | 69 Ų | 69 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 42.3 | -174 | -55.4 | -174.5 | 178.8 | -175.7 | 0 | 114.9 | D733 F734 R735 E739 N742 | D733-K737 PolarHBondContact O-N 2.87Å; F734-K737 WeakPolarHBondContact O-CA 3.48Å; F734-K737 PolarHBondContact O-N 3.18Å; R735-K737 PolarHBondContact O-N 3.06Å; K737-E739 PolarHBondContact O-N 2.89Å; K737-N742 WeakPolarHBondContact CA-OD1 3.48Å; K737-N742 WeakPolarHBondContact CB-OD1 3.35Å; K737-N742 PolarHBondContact O-ND2 3.42Å; K737-N742 PolarHBondContact O-OD1 3.47Å |
| 738 | D | 80.6 | Confident | 82.8 | Confident | 64 Ų | 64 | 71.6 Ų | 71.6 | 34% | 0.342 | 36% | 0.359 | S | S | . | . | trans | -58.7 | 128.7 | 171.6 | -171.9 | -63.1 | 0 | 0 | 0 | 111 | D733 K740 Y741 N742 | D733-D738 HydrophobicContact CB-CB 4.03Å; D733-D738 WeakPolarHBondContact O-CB 3.23Å; D733-D738 PolarHBondContact O-N 2.9Å; D738-K740 PolarHBondContact O-N 2.93Å; D738-K740 WeakPolarHBondContact OD1-CA 3.23Å; D738-K740 WeakPolarHBondContact OD1-CB 3.21Å; D738-K740 PolarHBondContact OD1-N 3.49Å; D738-Y741 HydrophobicContact CB-CD2 4.49Å; D738-Y741 PolarHBondContact O-N 3.41Å; D738-N742 PolarHBondContact O-N 3.32Å; D738-N742 VanDerWaalsContact O-N 3.13Å; D738-N742 PolarHBondContact O-ND2 3.32Å; D738-N742 PolarHBondContact O-OD1 3.42Å | ||
| 739 | E | 74.4 | Confident | 82.6 | Confident | 154 Ų | 154 | 70.1 Ų | 70.1 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.4 | -178.4 | -71.4 | -163.5 | 172.9 | 0 | 0 | 113.6 | K737 Y741 K805 | K737-E739 PolarHBondContact O-N 2.89Å; E739-Y741 VanDerWaalsContact C-N 3.28Å; E739-Y741 PolarHBondContact O-N 2.88Å; E739-K805 WeakPolarHBondContact O-CE 3.37Å; E739-K805 PolarHBondContact O-NZ 3.45Å |
| 740 | K | 75.6 | Confident | 82.4 | Confident | 129 Ų | 129 | 69.2 Ų | 69.2 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.2 | -179.1 | -170.5 | -179.2 | 172.8 | -159.3 | 0 | 113 | D738 H743 | D738-K740 PolarHBondContact O-N 2.93Å; D738-K740 WeakPolarHBondContact OD1-CA 3.23Å; D738-K740 WeakPolarHBondContact OD1-CB 3.21Å; D738-K740 PolarHBondContact OD1-N 3.49Å; K740-H743 PolarHBondContact O-CE1 3.41Å |
| 741 | Y | 79.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 7% | 0.071 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -12.9 | -171.5 | -61.4 | -67.3 | 0 | 0 | 0 | 114.5 | I730 D733 F734 D738 E739 H743 I744 | I730-Y741 HydrophobicContact CD1-CE1 4.43Å; I730-Y741 HydrophobicContact CG1-CE1 4.4Å; I730-Y741 HydrophobicContact CG1-CE2 4.27Å; I730-Y741 HydrophobicContact CG2-CD1 3.79Å; I730-Y741 HydrophobicContact CG2-CD2 4.25Å; I730-Y741 HydrophobicContact CG2-CE1 3.62Å; I730-Y741 HydrophobicContact CG2-CE2 4.1Å; I730-Y741 HydrophobicContact CG2-CG 4.11Å; D733-Y741 HydrophobicContact CB-CD2 4.12Å; D733-Y741 HydrophobicContact CB-CE2 4.38Å; F734-Y741 WeakPolarHBondContact CD2-O 3.4Å; F734-Y741 WeakPolarHBondContact CE2-O 3.32Å; D738-Y741 HydrophobicContact CB-CD2 4.49Å; D738-Y741 PolarHBondContact O-N 3.41Å; E739-Y741 VanDerWaalsContact C-N 3.28Å; E739-Y741 PolarHBondContact O-N 2.88Å; Y741-H743 PolarHBondContact O-N 2.97Å; Y741-I744 HydrophobicContact CD1-CD1 3.85Å; Y741-I744 PolarHBondContact O-N 3.25Å |
| 742 | N | 76.2 | Confident | 82.5 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -13.7 | -179.4 | -79.8 | -23.6 | 0 | 0 | 0 | 117.2 | K737 D738 | K737-N742 WeakPolarHBondContact CA-OD1 3.48Å; K737-N742 WeakPolarHBondContact CB-OD1 3.35Å; K737-N742 PolarHBondContact O-ND2 3.42Å; K737-N742 PolarHBondContact O-OD1 3.47Å; D738-N742 PolarHBondContact O-N 3.32Å; D738-N742 VanDerWaalsContact O-N 3.13Å; D738-N742 PolarHBondContact O-ND2 3.32Å; D738-N742 PolarHBondContact O-OD1 3.42Å |
| 743 | H | 77.6 | Confident | 82.6 | Confident | 51 Ų | 51 | 74 Ų | 74 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.2 | -179.7 | 65.9 | -79.5 | 0 | 0 | 0 | 114.1 | K740 Y741 Q803 K805 | K740-H743 PolarHBondContact O-CE1 3.41Å; Y741-H743 PolarHBondContact O-N 2.97Å; H743-Q803 PolarHBondContact NE2-O 3.12Å; H743-K805 HydrophobicContact CB-CG 4.4Å; H743-K805 WeakPolarHBondContact ND1-CG 3.14Å |
| 744 | I | 80.9 | Confident | 82.7 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -78.7 | 139.9 | 176.8 | -59.4 | 170.5 | 0 | 0 | 0 | 109 | F734 Y741 E748 M749 V800 Q803 | F734-I744 HydrophobicContact CE2-CB 4.21Å; F734-I744 WeakPolarHBondContact CE2-O 3.49Å; Y741-I744 HydrophobicContact CD1-CD1 3.85Å; Y741-I744 PolarHBondContact O-N 3.25Å; I744-E748 HydrophobicContact CG2-CB 4.41Å; I744-M749 HydrophobicContact CB-CE 4.28Å; I744-M749 HydrophobicContact CD1-CE 3.68Å; I744-M749 HydrophobicContact CG2-CE 4.06Å; I744-V800 WeakPolarHBondContact CD1-O 3.33Å; I744-V800 HydrophobicContact CG2-CG1 3.69Å; I744-Q803 HydrophobicContact CG1-CB 4.46Å |
| 745 | D | 82.9 | Confident | 83 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | trans | -65 | 139.5 | 178.3 | -179.1 | -95.7 | 0 | 0 | 0 | 112.5 | S747 E748 M749 | D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 2.97Å; D745-S747 WeakPolarHBondContact OD1-CA 3.25Å; D745-S747 WeakPolarHBondContact OD1-CB 3.33Å; D745-S747 PolarHBondContact OD1-N 3Å; D745-S747 PolarHBondContact OD1-OG 3.15Å; D745-E748 HydrophobicContact CB-CB 4.37Å; D745-E748 HydrophobicContact CB-CG 4.08Å; D745-E748 PolarHBondContact O-N 3Å; D745-E748 VanDerWaalsContact O-N 3.16Å; D745-E748 PolarHBondContact OD1-N 3.34Å; D745-M749 PolarHBondContact O-N 3.37Å | ||
| 746 | E | 82.1 | Confident | 83.4 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.7 | -29.4 | -176 | -159.8 | -167.7 | 131.5 | 0 | 0 | 112.5 | F734 K750 | F734-E746 HydrophobicContact CE1-CG 4.49Å; E746-K750 WeakPolarHBondContact O-CB 3.29Å; E746-K750 WeakPolarHBondContact O-CD 3.26Å; E746-K750 VanDerWaalsContact O-CG 3.23Å; E746-K750 WeakPolarHBondContact O-CG 3.36Å; E746-K750 PolarHBondContact O-N 2.81Å; E746-K750 VanDerWaalsContact O-N 3.11Å; E746-K750 WeakPolarHBondContact OE1-CE 3.48Å; E746-K750 IonicContact OE1-NZ 2.72Å; E746-K750 PolarHBondContact OE1-NZ 3.01Å |
| 747 | S | 82.7 | Confident | 83.8 | Confident | 66 Ų | 66 | 71 Ų | 71 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.2 | -33.7 | 175.7 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | D745 K750 K751 | D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 2.97Å; D745-S747 WeakPolarHBondContact OD1-CA 3.25Å; D745-S747 WeakPolarHBondContact OD1-CB 3.33Å; D745-S747 PolarHBondContact OD1-N 3Å; D745-S747 PolarHBondContact OD1-OG 3.15Å; S747-K750 PolarHBondContact O-N 2.98Å; S747-K751 PolarHBondContact O-N 2.85Å |
| 748 | E | 84.6 | Confident | 84.3 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 173 | -63.1 | -57.7 | 145.9 | 0 | 0 | 111.2 | I744 D745 K750 K751 V752 V800 | I744-E748 HydrophobicContact CG2-CB 4.41Å; D745-E748 HydrophobicContact CB-CB 4.37Å; D745-E748 HydrophobicContact CB-CG 4.08Å; D745-E748 PolarHBondContact O-N 3Å; D745-E748 VanDerWaalsContact O-N 3.16Å; D745-E748 PolarHBondContact OD1-N 3.34Å; E748-K750 VanDerWaalsContact C-N 3.26Å; E748-K750 PolarHBondContact O-N 2.95Å; E748-K751 WeakPolarHBondContact O-CB 3.4Å; E748-K751 PolarHBondContact O-N 3.07Å; E748-K751 IonicContact OE1-NZ 2.92Å; E748-K751 PolarHBondContact OE1-NZ 2.95Å; E748-K751 WeakPolarHBondContact OE2-CD 3.45Å; E748-K751 WeakPolarHBondContact OE2-CE 3.36Å; E748-K751 IonicContact OE2-NZ 2.76Å; E748-K751 PolarHBondContact OE2-NZ 3.49Å; E748-V752 PolarHBondContact O-N 3.1Å; E748-V800 HydrophobicContact CB-CG1 3.82Å; E748-V800 HydrophobicContact CB-CG2 4.25Å |
| 749 | M | 85.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 175.8 | -167.8 | 61.2 | 69.6 | 0 | 0 | 112.1 | I730 A731 F734 I744 D745 K751 V752 E753 | I730-M749 HydrophobicContact CG2-CE 4.25Å; A731-M749 HydrophobicContact CB-SD 4.33Å; F734-M749 HydrophobicContact CB-CE 4.06Å; F734-M749 HydrophobicContact CB-CG 4.31Å; F734-M749 HydrophobicContact CD1-CB 4.14Å; F734-M749 HydrophobicContact CD1-CG 3.62Å; F734-M749 HydrophobicContact CD2-CE 3.92Å; F734-M749 HydrophobicContact CD2-CG 4.4Å; F734-M749 HydrophobicContact CE1-CB 3.94Å; F734-M749 HydrophobicContact CE1-CG 3.95Å; F734-M749 HydrophobicContact CG-CE 3.99Å; F734-M749 HydrophobicContact CG-CG 3.87Å; F734-M749 HydrophobicContact CZ-CB 4.15Å; F734-M749 HydrophobicContact CZ-CG 4.48Å; I744-M749 HydrophobicContact CB-CE 4.28Å; I744-M749 HydrophobicContact CD1-CE 3.68Å; I744-M749 HydrophobicContact CG2-CE 4.06Å; D745-M749 PolarHBondContact O-N 3.37Å; M749-K751 VanDerWaalsContact C-N 3.28Å; M749-K751 PolarHBondContact O-N 3.39Å; M749-V752 WeakPolarHBondContact O-CB 3.43Å; M749-V752 PolarHBondContact O-N 3.24Å; M749-V752 VanDerWaalsContact O-N 3.12Å; M749-V752 HydrophobicContact SD-CB 4.06Å; M749-V752 HydrophobicContact SD-CG1 4.32Å; M749-V752 HydrophobicContact SD-CG2 4.31Å; M749-E753 PolarHBondContact O-N 2.7Å |
| 750 | K | 87.1 | Confident | 85.7 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.2 | -26.5 | 170.9 | -80.1 | 166.6 | 177.5 | 167 | 0 | 113.8 | E746 S747 E748 K754 | E746-K750 WeakPolarHBondContact O-CB 3.29Å; E746-K750 WeakPolarHBondContact O-CD 3.26Å; E746-K750 VanDerWaalsContact O-CG 3.23Å; E746-K750 WeakPolarHBondContact O-CG 3.36Å; E746-K750 PolarHBondContact O-N 2.81Å; E746-K750 VanDerWaalsContact O-N 3.11Å; E746-K750 WeakPolarHBondContact OE1-CE 3.48Å; E746-K750 IonicContact OE1-NZ 2.72Å; E746-K750 PolarHBondContact OE1-NZ 3.01Å; S747-K750 PolarHBondContact O-N 2.98Å; E748-K750 VanDerWaalsContact C-N 3.26Å; E748-K750 PolarHBondContact O-N 2.95Å; K750-K754 WeakPolarHBondContact O-CB 3.43Å; K750-K754 PolarHBondContact O-N 2.87Å |
| 751 | K | 87.6 | Confident | 86.6 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 169.9 | -60.2 | 174.1 | -160.5 | 168.7 | 0 | 111.3 | S747 E748 M749 K754 S755 | S747-K751 PolarHBondContact O-N 2.85Å; E748-K751 WeakPolarHBondContact O-CB 3.4Å; E748-K751 PolarHBondContact O-N 3.07Å; E748-K751 IonicContact OE1-NZ 2.92Å; E748-K751 PolarHBondContact OE1-NZ 2.95Å; E748-K751 WeakPolarHBondContact OE2-CD 3.45Å; E748-K751 WeakPolarHBondContact OE2-CE 3.36Å; E748-K751 IonicContact OE2-NZ 2.76Å; E748-K751 PolarHBondContact OE2-NZ 3.49Å; M749-K751 VanDerWaalsContact C-N 3.28Å; M749-K751 PolarHBondContact O-N 3.39Å; K751-K754 PolarHBondContact O-N 2.76Å; K751-S755 VanDerWaalsContact O-CB 3.31Å; K751-S755 WeakPolarHBondContact O-CB 3.44Å; K751-S755 PolarHBondContact O-N 2.77Å |
| 752 | V | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | E748 M749 K754 S755 V756 C797 V800 V801 | E748-V752 PolarHBondContact O-N 3.1Å; M749-V752 WeakPolarHBondContact O-CB 3.43Å; M749-V752 PolarHBondContact O-N 3.24Å; M749-V752 VanDerWaalsContact O-N 3.12Å; M749-V752 HydrophobicContact SD-CB 4.06Å; M749-V752 HydrophobicContact SD-CG1 4.32Å; M749-V752 HydrophobicContact SD-CG2 4.31Å; V752-K754 VanDerWaalsContact C-N 3.32Å; V752-K754 PolarHBondContact O-N 2.86Å; V752-S755 PolarHBondContact O-N 2.9Å; V752-V756 HydrophobicContact CG1-CG2 4.35Å; V752-V756 WeakPolarHBondContact O-CB 3.47Å; V752-V756 VanDerWaalsContact O-CG2 3.26Å; V752-V756 WeakPolarHBondContact O-CG2 3.45Å; V752-V756 PolarHBondContact O-N 2.92Å; V752-C797 HydrophobicContact CG1-CB 4.24Å; V752-C797 HydrophobicContact CG2-CB 4.5Å; V752-V800 HydrophobicContact CG2-CB 3.66Å; V752-V800 HydrophobicContact CG2-CG1 3.61Å; V752-V800 HydrophobicContact CG2-CG2 4.12Å; V752-V801 HydrophobicContact CG1-CG1 4.3Å; V752-V801 HydrophobicContact CG2-CG1 4.38Å |
| 753 | E | 87.9 | Confident | 88 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -45.8 | 175.9 | -71.7 | -171.6 | 164.8 | 0 | 0 | 112.1 | A731 R735 M749 N757 | A731-E753 HydrophobicContact CB-CG 3.71Å; R735-E753 WeakPolarHBondContact CD-OE1 3.36Å; R735-E753 IonicContact CZ-OE1 2.69Å; R735-E753 IonicContact NE-OE1 3.35Å; R735-E753 VanDerWaalsContact NH1-CD 3.35Å; R735-E753 IonicContact NH1-OE1 2.69Å; R735-E753 PolarHBondContact NH1-OE1 2.82Å; R735-E753 IonicContact NH1-OE2 3.57Å; M749-E753 PolarHBondContact O-N 2.7Å; E753-N757 WeakPolarHBondContact O-CB 3.25Å; E753-N757 PolarHBondContact O-N 2.7Å; E753-N757 PolarHBondContact O-ND2 2.82Å; E753-N757 VanDerWaalsContact O-ND2 3.15Å |
| 754 | K | 91.1 | Very high | 88.7 | Confident | 124 Ų | 124 | 62 Ų | 62 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 177.4 | -179.6 | 179.9 | 169.7 | -176.4 | 0 | 111.7 | K750 K751 V752 V756 N757 E758 | K750-K754 WeakPolarHBondContact O-CB 3.43Å; K750-K754 PolarHBondContact O-N 2.87Å; K751-K754 PolarHBondContact O-N 2.76Å; V752-K754 VanDerWaalsContact C-N 3.32Å; V752-K754 PolarHBondContact O-N 2.86Å; K754-V756 PolarHBondContact O-N 2.9Å; K754-N757 PolarHBondContact O-N 2.71Å; K754-E758 WeakPolarHBondContact CE-OE1 3.24Å; K754-E758 VanDerWaalsContact CE-OE2 3.25Å; K754-E758 WeakPolarHBondContact CE-OE2 3.21Å; K754-E758 HydrophobicContact CG-CG 4.36Å; K754-E758 IonicContact NZ-OE1 2.69Å; K754-E758 PolarHBondContact NZ-OE1 3.17Å; K754-E758 WeakPolarHBondContact O-CG 3.41Å; K754-E758 PolarHBondContact O-N 3.14Å |
| 755 | S | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | K751 V752 E758 V759 | K751-S755 VanDerWaalsContact O-CB 3.31Å; K751-S755 WeakPolarHBondContact O-CB 3.44Å; K751-S755 PolarHBondContact O-N 2.77Å; V752-S755 PolarHBondContact O-N 2.9Å; S755-E758 PolarHBondContact O-N 2.89Å; S755-V759 WeakPolarHBondContact O-CB 3.42Å; S755-V759 VanDerWaalsContact O-CG2 3.32Å; S755-V759 WeakPolarHBondContact O-CG2 3.23Å; S755-V759 PolarHBondContact O-N 3.42Å |
| 756 | V | 91.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 173.3 | 169.7 | 0 | 0 | 0 | 0 | 111 | L724 Y727 A728 V752 K754 M760 L793 | L724-V756 HydrophobicContact CD2-CB 4.41Å; L724-V756 HydrophobicContact CD2-CG1 4.07Å; L724-V756 WeakPolarHBondContact CD2-O 3.34Å; Y727-V756 VanDerWaalsContact CB-CG2 3.46Å; Y727-V756 HydrophobicContact CD2-CG2 4.44Å; Y727-V756 HydrophobicContact CG-CG2 4.36Å; A728-V756 HydrophobicContact CB-CG1 4.08Å; V752-V756 HydrophobicContact CG1-CG2 4.35Å; V752-V756 WeakPolarHBondContact O-CB 3.47Å; V752-V756 VanDerWaalsContact O-CG2 3.26Å; V752-V756 WeakPolarHBondContact O-CG2 3.45Å; V752-V756 PolarHBondContact O-N 2.92Å; K754-V756 PolarHBondContact O-N 2.9Å; V756-M760 HydrophobicContact CG1-CE 4.11Å; V756-M760 WeakPolarHBondContact O-CB 3.4Å; V756-M760 PolarHBondContact O-N 3.18Å; V756-L793 HydrophobicContact CG2-CD1 4.19Å |
| 757 | N | 91.8 | Very high | 90.1 | Very high | 101 Ų | 101 | 61.6 Ų | 61.6 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 178.2 | -70.1 | -25.3 | 0 | 0 | 0 | 112.1 | E753 K754 V759 M760 E761 | E753-N757 WeakPolarHBondContact O-CB 3.25Å; E753-N757 PolarHBondContact O-N 2.7Å; E753-N757 PolarHBondContact O-ND2 2.82Å; E753-N757 VanDerWaalsContact O-ND2 3.15Å; K754-N757 PolarHBondContact O-N 2.71Å; N757-V759 PolarHBondContact O-N 2.9Å; N757-M760 PolarHBondContact O-N 3.37Å; N757-E761 WeakPolarHBondContact O-CB 3.29Å; N757-E761 PolarHBondContact O-N 2.83Å |
| 758 | E | 92.8 | Very high | 90.5 | Very high | 104 Ų | 104 | 63 Ų | 63 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 179.6 | -73.4 | 176.3 | 147.1 | 0 | 0 | 112.1 | K754 S755 W762 | K754-E758 WeakPolarHBondContact CE-OE1 3.24Å; K754-E758 VanDerWaalsContact CE-OE2 3.25Å; K754-E758 WeakPolarHBondContact CE-OE2 3.21Å; K754-E758 HydrophobicContact CG-CG 4.36Å; K754-E758 IonicContact NZ-OE1 2.69Å; K754-E758 PolarHBondContact NZ-OE1 3.17Å; K754-E758 WeakPolarHBondContact O-CG 3.41Å; K754-E758 PolarHBondContact O-N 3.14Å; S755-E758 PolarHBondContact O-N 2.89Å; E758-W762 WeakPolarHBondContact O-CB 3.44Å; E758-W762 PolarHBondContact O-N 3.14Å |
| 759 | V | 92.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.3 | -31.1 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L720 L724 S755 N757 M763 L793 | L720-V759 HydrophobicContact CD1-CG1 3.89Å; L720-V759 HydrophobicContact CD2-CG1 4.33Å; L724-V759 HydrophobicContact CD1-CG1 4.41Å; L724-V759 HydrophobicContact CD2-CB 4.1Å; L724-V759 HydrophobicContact CD2-CG1 4.08Å; S755-V759 WeakPolarHBondContact O-CB 3.42Å; S755-V759 VanDerWaalsContact O-CG2 3.32Å; S755-V759 WeakPolarHBondContact O-CG2 3.23Å; S755-V759 PolarHBondContact O-N 3.42Å; N757-V759 PolarHBondContact O-N 2.9Å; V759-M763 VanDerWaalsContact O-CB 3.31Å; V759-M763 WeakPolarHBondContact O-CB 3.33Å; V759-M763 PolarHBondContact O-N 3.06Å; V759-L793 HydrophobicContact CB-CD1 4.29Å; V759-L793 HydrophobicContact CG2-CD1 4.23Å |
| 760 | M | 92 | Very high | 91 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 34% | 0.335 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 172.8 | -172.4 | -177.7 | -59.6 | 0 | 0 | 112.1 | L724 V756 N757 M763 N764 | L724-M760 HydrophobicContact CB-CE 4.49Å; L724-M760 HydrophobicContact CD1-CB 4.2Å; L724-M760 HydrophobicContact CD2-CB 4.4Å; V756-M760 HydrophobicContact CG1-CE 4.11Å; V756-M760 WeakPolarHBondContact O-CB 3.4Å; V756-M760 PolarHBondContact O-N 3.18Å; N757-M760 PolarHBondContact O-N 3.37Å; M760-M763 PolarHBondContact O-N 2.91Å; M760-N764 WeakPolarHBondContact O-CB 3.43Å; M760-N764 PolarHBondContact O-N 3.06Å; M760-N764 PolarHBondContact O-ND2 2.85Å |
| 761 | E | 93.3 | Very high | 91.1 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 173 | -178.8 | 170.5 | -169.2 | 0 | 0 | 111 | N757 N764 N765 | N757-E761 WeakPolarHBondContact O-CB 3.29Å; N757-E761 PolarHBondContact O-N 2.83Å; E761-N764 PolarHBondContact O-N 2.85Å; E761-N765 WeakPolarHBondContact CG-ND2 3.46Å; E761-N765 WeakPolarHBondContact O-CB 3.28Å; E761-N765 PolarHBondContact O-N 2.85Å; E761-N765 PolarHBondContact O-ND2 2.87Å; E761-N765 VanDerWaalsContact O-ND2 3.13Å |
| 762 | W | 94.6 | Very high | 91.3 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 171.9 | 176.5 | 86.3 | 0 | 0 | 0 | 112 | L720 E758 N764 N765 V766 V781 I786 K789 | L720-W762 HydrophobicContact CD2-CE3 4.33Å; L720-W762 HydrophobicContact CD2-CZ3 3.81Å; E758-W762 WeakPolarHBondContact O-CB 3.44Å; E758-W762 PolarHBondContact O-N 3.14Å; W762-N764 PolarHBondContact O-N 3.27Å; W762-N765 PolarHBondContact O-N 2.96Å; W762-V766 HydrophobicContact CD2-CG2 4.11Å; W762-V766 HydrophobicContact CG-CG2 4.45Å; W762-V766 HydrophobicContact CZ2-CG2 3.98Å; W762-V766 WeakPolarHBondContact O-CB 3.47Å; W762-V766 VanDerWaalsContact O-CG2 3.3Å; W762-V766 WeakPolarHBondContact O-CG2 3.37Å; W762-V766 PolarHBondContact O-N 2.98Å; W762-V781 HydrophobicContact CH2-CG2 4.03Å; W762-V781 HydrophobicContact CZ2-CG2 3.9Å; W762-I786 HydrophobicContact CH2-CG1 4Å; W762-K789 HydrophobicContact CD2-CD 4.46Å; W762-K789 HydrophobicContact CD2-CG 4.27Å; W762-K789 HydrophobicContact CE3-CB 4.46Å; W762-K789 HydrophobicContact CE3-CG 4.12Å; W762-K789 HydrophobicContact CH2-CB 4.18Å; W762-K789 HydrophobicContact CH2-CG 3.81Å; W762-K789 HydrophobicContact CZ2-CG 3.94Å; W762-K789 HydrophobicContact CZ3-CB 4Å; W762-K789 HydrophobicContact CZ3-CG 3.9Å |
| 763 | M | 91.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 179.6 | -179.3 | 178 | 173.8 | 0 | 0 | 111.6 | L717 L720 L724 V759 M760 V766 M767 | L717-M763 HydrophobicContact CB-CE 4.32Å; L717-M763 HydrophobicContact CD2-CE 4.48Å; L717-M763 HydrophobicContact CD2-CG 4.37Å; L717-M763 WeakPolarHBondContact O-CE 3.17Å; L720-M763 HydrophobicContact CB-SD 4.48Å; L720-M763 HydrophobicContact CD2-CB 4.33Å; L720-M763 HydrophobicContact CD2-CG 4.31Å; L720-M763 HydrophobicContact CD2-SD 4.01Å; L720-M763 HydrophobicContact CG-SD 4.01Å; L724-M763 HydrophobicContact CD1-SD 3.74Å; V759-M763 VanDerWaalsContact O-CB 3.31Å; V759-M763 WeakPolarHBondContact O-CB 3.33Å; V759-M763 PolarHBondContact O-N 3.06Å; M760-M763 PolarHBondContact O-N 2.91Å; M763-V766 PolarHBondContact O-N 3.11Å; M763-M767 HydrophobicContact CE-SD 3.8Å; M763-M767 HydrophobicContact CG-SD 4.06Å; M763-M767 WeakPolarHBondContact O-CB 3.31Å; M763-M767 WeakPolarHBondContact O-CG 3.42Å; M763-M767 PolarHBondContact O-N 3.18Å |
| 764 | N | 91.7 | Very high | 91.5 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.4 | -76.7 | -41.5 | 0 | 0 | 0 | 112.1 | M760 E761 W762 M767 N768 | M760-N764 WeakPolarHBondContact O-CB 3.43Å; M760-N764 PolarHBondContact O-N 3.06Å; M760-N764 PolarHBondContact O-ND2 2.85Å; E761-N764 PolarHBondContact O-N 2.85Å; W762-N764 PolarHBondContact O-N 3.27Å; N764-M767 PolarHBondContact O-N 2.91Å; N764-N768 VanDerWaalsContact O-CB 3.3Å; N764-N768 WeakPolarHBondContact O-CB 3.34Å; N764-N768 PolarHBondContact O-N 2.69Å; N764-N768 PolarHBondContact O-ND2 2.9Å |
| 765 | N | 92.8 | Very high | 91.4 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.4 | -78.6 | -37.5 | 0 | 0 | 0 | 111.7 | E761 W762 N768 A769 | E761-N765 WeakPolarHBondContact CG-ND2 3.46Å; E761-N765 WeakPolarHBondContact O-CB 3.28Å; E761-N765 PolarHBondContact O-N 2.85Å; E761-N765 PolarHBondContact O-ND2 2.87Å; E761-N765 VanDerWaalsContact O-ND2 3.13Å; W762-N765 PolarHBondContact O-N 2.96Å; N765-N768 PolarHBondContact O-N 2.85Å; N765-A769 VanDerWaalsContact O-CB 3.31Å; N765-A769 WeakPolarHBondContact O-CB 3.49Å; N765-A769 PolarHBondContact O-N 3.14Å |
| 766 | V | 92.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 72 Ų | 72 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 177.7 | 166 | 0 | 0 | 0 | 0 | 112.1 | W762 M763 A769 Q770 V781 | W762-V766 HydrophobicContact CD2-CG2 4.11Å; W762-V766 HydrophobicContact CG-CG2 4.45Å; W762-V766 HydrophobicContact CZ2-CG2 3.98Å; W762-V766 WeakPolarHBondContact O-CB 3.47Å; W762-V766 VanDerWaalsContact O-CG2 3.3Å; W762-V766 WeakPolarHBondContact O-CG2 3.37Å; W762-V766 PolarHBondContact O-N 2.98Å; M763-V766 PolarHBondContact O-N 3.11Å; V766-A769 PolarHBondContact O-N 3.32Å; V766-Q770 WeakPolarHBondContact O-CB 3.33Å; V766-Q770 PolarHBondContact O-N 2.89Å; V766-V781 HydrophobicContact CG1-CB 3.66Å; V766-V781 HydrophobicContact CG1-CG1 3.29Å; V766-V781 HydrophobicContact CG1-CG2 4.44Å |
| 767 | M | 90.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 75.3 Ų | 75.3 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 173.8 | -75.3 | 175.7 | 61.6 | 0 | 0 | 111.8 | L717 M763 N764 A769 Q770 A771 | L717-M767 HydrophobicContact CD1-CG 4.31Å; M763-M767 HydrophobicContact CE-SD 3.8Å; M763-M767 HydrophobicContact CG-SD 4.06Å; M763-M767 WeakPolarHBondContact O-CB 3.31Å; M763-M767 WeakPolarHBondContact O-CG 3.42Å; M763-M767 PolarHBondContact O-N 3.18Å; N764-M767 PolarHBondContact O-N 2.91Å; M767-A769 VanDerWaalsContact C-N 3.29Å; M767-A769 PolarHBondContact O-N 2.82Å; M767-Q770 PolarHBondContact O-N 2.84Å; M767-A771 WeakPolarHBondContact O-CB 3.48Å; M767-A771 PolarHBondContact O-N 2.6Å |
| 768 | N | 91.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 73.6 Ų | 73.6 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -28.4 | 178.1 | -78.9 | -53.4 | 0 | 0 | 0 | 113.5 | N764 N765 K772 | N764-N768 VanDerWaalsContact O-CB 3.3Å; N764-N768 WeakPolarHBondContact O-CB 3.34Å; N764-N768 PolarHBondContact O-N 2.69Å; N764-N768 PolarHBondContact O-ND2 2.9Å; N765-N768 PolarHBondContact O-N 2.85Å; N768-K772 WeakPolarHBondContact O-CD 3.45Å; N768-K772 VanDerWaalsContact O-CE 3.31Å; N768-K772 WeakPolarHBondContact O-CE 3.49Å; N768-K772 WeakPolarHBondContact O-CG 3.32Å |
| 769 | A | 90.8 | Very high | 91.1 | Very high | 36 Ų | 36 | 69.4 Ų | 69.4 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78 | -40.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N765 V766 M767 K772 V780 | N765-A769 VanDerWaalsContact O-CB 3.31Å; N765-A769 WeakPolarHBondContact O-CB 3.49Å; N765-A769 PolarHBondContact O-N 3.14Å; V766-A769 PolarHBondContact O-N 3.32Å; M767-A769 VanDerWaalsContact C-N 3.29Å; M767-A769 PolarHBondContact O-N 2.82Å; A769-K772 PolarHBondContact O-N 2.81Å; A769-V780 HydrophobicContact CB-CB 4.48Å; A769-V780 HydrophobicContact CB-CG1 3.83Å; A769-V780 HydrophobicContact CB-CG2 4.21Å |
| 770 | Q | 90.8 | Very high | 91 | Very high | 33 Ų | 33 | 72 Ų | 72 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 177 | -179.8 | 57.7 | 44.9 | 0 | 0 | 112.5 | R713 V766 M767 K772 R773 V780 | R713-Q770 VanDerWaalsContact NH2-CD 3.27Å; V766-Q770 WeakPolarHBondContact O-CB 3.33Å; V766-Q770 PolarHBondContact O-N 2.89Å; M767-Q770 PolarHBondContact O-N 2.84Å; Q770-K772 PolarHBondContact O-N 2.84Å; Q770-R773 PolarHBondContact O-N 2.75Å; Q770-V780 HydrophobicContact CB-CG2 4.47Å |
| 771 | A | 89.5 | Confident | 91 | Very high | 89 Ų | 89 | 69 Ų | 69 | 74% | 0.736 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M767 | M767-A771 WeakPolarHBondContact O-CB 3.48Å; M767-A771 PolarHBondContact O-N 2.6Å |
| 772 | K | 90.9 | Very high | 91 | Very high | 178 Ų | 178 | 67.3 Ų | 67.3 | 77% | 0.774 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -0.4 | 175.3 | -60.5 | 168.9 | -173.5 | 171.4 | 0 | 113.2 | N768 A769 Q770 | N768-K772 WeakPolarHBondContact O-CD 3.45Å; N768-K772 VanDerWaalsContact O-CE 3.31Å; N768-K772 WeakPolarHBondContact O-CE 3.49Å; N768-K772 WeakPolarHBondContact O-CG 3.32Å; A769-K772 PolarHBondContact O-N 2.81Å; Q770-K772 PolarHBondContact O-N 2.84Å |
| 773 | R | 89.4 | Confident | 90.9 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -98.1 | 135.5 | 173.7 | -67.1 | -63.4 | -172.3 | 167 | 4.8 | 110.2 | Q770 V780 | Q770-R773 PolarHBondContact O-N 2.75Å; R773-V780 HydrophobicContact CG-CG2 3.58Å |
| 774 | S | 89.6 | Confident | 90.9 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | trans | -72.8 | 161.2 | 163.2 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | D776 Q777 | S774-D776 VanDerWaalsContact C-N 3.28Å; S774-D776 WeakPolarHBondContact CB-OD1 3.28Å; S774-D776 PolarHBondContact O-N 2.93Å; S774-D776 PolarHBondContact OG-OD1 2.96Å; S774-Q777 PolarHBondContact O-N 2.95Å; S774-Q777 PolarHBondContact OG-NE2 2.84Å | ||
| 775 | L | 89.6 | Confident | 90.9 | Very high | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.5 | -173.7 | -65.3 | 177.2 | 0 | 0 | 0 | 113.4 | K656 F657 Q777 | K656-L775 HydrophobicContact CB-CD1 4.29Å; K656-L775 CarbonylContact O-C 3.6Å; K656-L775 WeakPolarHBondContact O-CB 3.32Å; F657-L775 HydrophobicContact CD1-CB 3.92Å; F657-L775 WeakPolarHBondContact CD1-O 3.31Å; F657-L775 HydrophobicContact CE1-CB 3.87Å; F657-L775 HydrophobicContact CE1-CD1 4.22Å; F657-L775 HydrophobicContact CE1-CD2 4.06Å; F657-L775 HydrophobicContact CE1-CG 4.26Å; F657-L775 HydrophobicContact CZ-CD1 4.19Å; L775-Q777 VanDerWaalsContact C-N 3.25Å; L775-Q777 PolarHBondContact O-N 2.86Å |
| 776 | D | 87.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.9 | 171.7 | 67.1 | -28.4 | 0 | 0 | 0 | 113.9 | K656 C659 R706 S774 | K656-D776 PolarHBondContact O-N 3.39Å; C659-D776 HydrophobicContact CB-CB 4.43Å; C659-D776 WeakPolarHBondContact CB-OD2 3.41Å; R706-D776 PolarHBondContact NE-O 2.8Å; R706-D776 PolarHBondContact NH1-O 2.96Å; S774-D776 VanDerWaalsContact C-N 3.28Å; S774-D776 WeakPolarHBondContact CB-OD1 3.28Å; S774-D776 PolarHBondContact O-N 2.93Å; S774-D776 PolarHBondContact OG-OD1 2.96Å |
| 777 | Q | 90 | Very high | 91 | Very high | 76 Ų | 76 | 70 Ų | 70 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -102.9 | 148.3 | 176.8 | -65.3 | -177.4 | 17.7 | 0 | 0 | 111.7 | S774 L775 | S774-Q777 PolarHBondContact O-N 2.95Å; S774-Q777 PolarHBondContact OG-NE2 2.84Å; L775-Q777 VanDerWaalsContact C-N 3.25Å; L775-Q777 PolarHBondContact O-N 2.86Å |
| 778 | D | 90.5 | Very high | 91.1 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 136.5 | 173.2 | -88.6 | 56.9 | 0 | 0 | 0 | 111.5 | R706 R782 | R706-D778 IonicContact CZ-OD1 3.7Å; R706-D778 IonicContact NE-OD1 3.9Å; R706-D778 PolarHBondContact NE-OD1 3.36Å; R706-D778 IonicContact NH2-OD1 3.59Å; R706-D778 PolarHBondContact NH2-OD1 2.73Å; D778-R782 IonicContact OD2-CZ 2.56Å; D778-R782 IonicContact OD2-NH2 2.71Å; D778-R782 PolarHBondContact OD2-NH2 2.89Å |
| 779 | P | 90.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.104 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.5 | -173.7 | 28.8 | -37.2 | 0 | 0 | 0 | 112.1 | E709 R713 V781 R782 | E709-P779 HydrophobicContact CB-CG 3.96Å; E709-P779 HydrophobicContact CG-CG 4.17Å; R713-P779 VanDerWaalsContact NH1-CB 3.26Å; P779-V781 WeakPolarHBondContact CB-O 3.42Å; P779-V781 PolarHBondContact O-N 3.11Å; P779-R782 HydrophobicContact CG-CG 3.92Å |
| 780 | V | 91.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -64.3 | -28.5 | -180 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | A769 Q770 R773 | A769-V780 HydrophobicContact CB-CB 4.48Å; A769-V780 HydrophobicContact CB-CG1 3.83Å; A769-V780 HydrophobicContact CB-CG2 4.21Å; Q770-V780 HydrophobicContact CB-CG2 4.47Å; R773-V780 HydrophobicContact CG-CG2 3.58Å |
| 781 | V | 91.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -138.5 | 141.7 | 170.5 | 75.7 | 0 | 0 | 0 | 0 | 108 | R713 W762 V766 P779 E785 I786 | R713-V781 WeakPolarHBondContact CD-O 3.41Å; R713-V781 PolarHBondContact NH1-O 2.89Å; W762-V781 HydrophobicContact CH2-CG2 4.03Å; W762-V781 HydrophobicContact CZ2-CG2 3.9Å; V766-V781 HydrophobicContact CG1-CB 3.66Å; V766-V781 HydrophobicContact CG1-CG1 3.29Å; V766-V781 HydrophobicContact CG1-CG2 4.44Å; P779-V781 WeakPolarHBondContact CB-O 3.42Å; P779-V781 PolarHBondContact O-N 3.11Å; V781-E785 HydrophobicContact CG2-CB 3.67Å; V781-E785 HydrophobicContact CG2-CG 4.4Å; V781-I786 HydrophobicContact CG1-CD1 3.65Å; V781-I786 HydrophobicContact CG1-CG1 3.84Å; V781-I786 HydrophobicContact CG2-CG1 3.92Å |
| 782 | R | 93.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 69.9 Ų | 69.9 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | trans | -95.3 | 154.8 | 173.3 | -71.4 | -177.3 | -179.6 | -161.5 | -0.4 | 111 | E709 D778 P779 H784 E785 I786 | E709-R782 WeakPolarHBondContact OE1-CA 3.5Å; E709-R782 WeakPolarHBondContact OE1-CB 3.43Å; D778-R782 IonicContact OD2-CZ 2.56Å; D778-R782 IonicContact OD2-NH2 2.71Å; D778-R782 PolarHBondContact OD2-NH2 2.89Å; P779-R782 HydrophobicContact CG-CG 3.92Å; R782-H784 WeakPolarHBondContact CB-ND1 3.38Å; R782-H784 PolarHBondContact O-N 2.87Å; R782-E785 WeakPolarHBondContact CB-OE2 3.36Å; R782-E785 PolarHBondContact N-OE2 3.4Å; R782-E785 WeakPolarHBondContact O-CB 3.4Å; R782-E785 PolarHBondContact O-N 2.85Å; R782-I786 PolarHBondContact O-N 2.83Å | ||
| 783 | T | 92.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -34.6 | -171.9 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | E709 E712 R713 V716 E785 I786 R787 | E709-T783 PolarHBondContact OE1-N 2.94Å; E709-T783 VanDerWaalsContact OE2-CB 3.28Å; E709-T783 WeakPolarHBondContact OE2-CB 3.41Å; E709-T783 PolarHBondContact OE2-N 3.38Å; E709-T783 PolarHBondContact OE2-OG1 2.86Å; E712-T783 HydrophobicContact CB-CG2 4.23Å; R713-T783 WeakPolarHBondContact CA-OG1 3.1Å; R713-T783 WeakPolarHBondContact CB-OG1 3.5Å; V716-T783 HydrophobicContact CB-CG2 4.15Å; V716-T783 HydrophobicContact CG1-CG2 4.36Å; V716-T783 HydrophobicContact CG2-CG2 3.72Å; T783-E785 VanDerWaalsContact C-N 3.34Å; T783-E785 PolarHBondContact O-N 3.05Å; T783-I786 PolarHBondContact O-N 2.92Å; T783-R787 WeakPolarHBondContact O-CG 3.36Å; T783-R787 PolarHBondContact O-N 2.85Å |
| 784 | H | 92.7 | Very high | 91.6 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.9 | -32.6 | 176.5 | 75.4 | -83.8 | 0 | 0 | 0 | 113.6 | R782 R787 A788 | R782-H784 WeakPolarHBondContact CB-ND1 3.38Å; R782-H784 PolarHBondContact O-N 2.87Å; H784-R787 PolarHBondContact O-N 2.83Å; H784-A788 PolarHBondContact O-N 2.8Å |
| 785 | E | 92.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.2 | -36.8 | 178 | -57 | 174.2 | 83.9 | 0 | 0 | 111.2 | V781 R782 T783 A788 K789 | V781-E785 HydrophobicContact CG2-CB 3.67Å; V781-E785 HydrophobicContact CG2-CG 4.4Å; R782-E785 WeakPolarHBondContact CB-OE2 3.36Å; R782-E785 PolarHBondContact N-OE2 3.4Å; R782-E785 WeakPolarHBondContact O-CB 3.4Å; R782-E785 PolarHBondContact O-N 2.85Å; T783-E785 VanDerWaalsContact C-N 3.34Å; T783-E785 PolarHBondContact O-N 3.05Å; E785-A788 WeakPolarHBondContact O-CB 3.5Å; E785-A788 PolarHBondContact O-N 3.39Å; E785-K789 PolarHBondContact O-N 2.8Å |
| 786 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 174.1 | -55.8 | 154.9 | 0 | 0 | 0 | 110 | R713 V716 L717 L720 W762 V781 R782 T783 A788 K789 V790 | R713-I786 HydrophobicContact CG-CD1 3.5Å; V716-I786 HydrophobicContact CG1-CB 3.99Å; V716-I786 HydrophobicContact CG1-CG2 3.77Å; L717-I786 HydrophobicContact CD2-CD1 3.76Å; L717-I786 HydrophobicContact CD2-CG1 4.09Å; L717-I786 HydrophobicContact CD2-CG2 4.1Å; L717-I786 HydrophobicContact CG-CD1 3.8Å; L720-I786 HydrophobicContact CB-CG2 4.2Å; L720-I786 HydrophobicContact CD2-CG2 3.92Å; W762-I786 HydrophobicContact CH2-CG1 4Å; V781-I786 HydrophobicContact CG1-CD1 3.65Å; V781-I786 HydrophobicContact CG1-CG1 3.84Å; V781-I786 HydrophobicContact CG2-CG1 3.92Å; R782-I786 PolarHBondContact O-N 2.83Å; T783-I786 PolarHBondContact O-N 2.92Å; I786-A788 PolarHBondContact O-N 2.68Å; I786-K789 CarbonylContact O-C 3.35Å; I786-K789 WeakPolarHBondContact O-CA 3.3Å; I786-K789 PolarHBondContact O-N 2.8Å; I786-V790 WeakPolarHBondContact O-CG2 3.44Å; I786-V790 PolarHBondContact O-N 2.89Å |
| 787 | R | 93.1 | Very high | 91.8 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 172.8 | -65.9 | -177.7 | -164.7 | -100 | 11 | 111.6 | E712 V716 T783 H784 V790 K791 | E712-R787 IonicContact OE2-NH2 2.85Å; E712-R787 PolarHBondContact OE2-NH2 2.87Å; V716-R787 HydrophobicContact CG1-CG 3.68Å; T783-R787 WeakPolarHBondContact O-CG 3.36Å; T783-R787 PolarHBondContact O-N 2.85Å; H784-R787 PolarHBondContact O-N 2.83Å; R787-V790 PolarHBondContact O-N 2.88Å; R787-K791 PolarHBondContact O-N 3.05Å |
| 788 | A | 93.5 | Very high | 91.7 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H784 E785 I786 K791 E792 | H784-A788 PolarHBondContact O-N 2.8Å; E785-A788 WeakPolarHBondContact O-CB 3.5Å; E785-A788 PolarHBondContact O-N 3.39Å; I786-A788 PolarHBondContact O-N 2.68Å; A788-K791 PolarHBondContact O-N 3.04Å; A788-E792 WeakPolarHBondContact O-CB 3.13Å; A788-E792 PolarHBondContact O-N 2.87Å |
| 789 | K | 92.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -35.7 | 174.6 | -79.9 | -73.2 | 172.3 | -159.4 | 0 | 113.9 | W762 E785 I786 K791 E792 L793 | W762-K789 HydrophobicContact CD2-CD 4.46Å; W762-K789 HydrophobicContact CD2-CG 4.27Å; W762-K789 HydrophobicContact CE3-CB 4.46Å; W762-K789 HydrophobicContact CE3-CG 4.12Å; W762-K789 HydrophobicContact CH2-CB 4.18Å; W762-K789 HydrophobicContact CH2-CG 3.81Å; W762-K789 HydrophobicContact CZ2-CG 3.94Å; W762-K789 HydrophobicContact CZ3-CB 4Å; W762-K789 HydrophobicContact CZ3-CG 3.9Å; E785-K789 PolarHBondContact O-N 2.8Å; I786-K789 CarbonylContact O-C 3.35Å; I786-K789 WeakPolarHBondContact O-CA 3.3Å; I786-K789 PolarHBondContact O-N 2.8Å; K789-K791 VanDerWaalsContact C-N 3.34Å; K789-E792 WeakPolarHBondContact CD-OE2 3.18Å; K789-E792 WeakPolarHBondContact CE-OE2 3.42Å; K789-E792 IonicContact NZ-OE1 3.69Å; K789-E792 PolarHBondContact NZ-OE1 3.35Å; K789-E792 IonicContact NZ-OE2 2.65Å; K789-E792 PolarHBondContact NZ-OE2 2.83Å; K789-E792 PolarHBondContact O-N 3.12Å; K789-L793 WeakPolarHBondContact O-CB 3.19Å; K789-L793 PolarHBondContact O-N 2.98Å |
| 790 | V | 91.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 169.6 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | L720 I786 R787 L793 N794 | L720-V790 HydrophobicContact CB-CG2 3.74Å; L720-V790 HydrophobicContact CD1-CG2 3.75Å; L720-V790 HydrophobicContact CG-CG2 4.27Å; I786-V790 WeakPolarHBondContact O-CG2 3.44Å; I786-V790 PolarHBondContact O-N 2.89Å; R787-V790 PolarHBondContact O-N 2.88Å; V790-L793 PolarHBondContact O-N 3.25Å; V790-N794 WeakPolarHBondContact O-CB 3.48Å; V790-N794 VanDerWaalsContact O-CG 3.26Å; V790-N794 PolarHBondContact O-N 2.64Å |
| 791 | K | 92.9 | Very high | 91 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 178 | -170.6 | 175.9 | -177.2 | 178 | 0 | 112.6 | R787 A788 K789 N794 N795 | R787-K791 PolarHBondContact O-N 3.05Å; A788-K791 PolarHBondContact O-N 3.04Å; K789-K791 VanDerWaalsContact C-N 3.34Å; K791-N794 PolarHBondContact O-N 3.47Å; K791-N795 WeakPolarHBondContact O-CB 3.45Å; K791-N795 PolarHBondContact O-N 3.12Å; K791-N795 PolarHBondContact O-ND2 2.83Å; K791-N795 PolarHBondContact O-OD1 2.9Å |
| 792 | E | 92.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.3 | -171.7 | -176.6 | 144.1 | 0 | 0 | 111.5 | A788 K789 N794 N795 V796 | A788-E792 WeakPolarHBondContact O-CB 3.13Å; A788-E792 PolarHBondContact O-N 2.87Å; K789-E792 WeakPolarHBondContact CD-OE2 3.18Å; K789-E792 WeakPolarHBondContact CE-OE2 3.42Å; K789-E792 IonicContact NZ-OE1 3.69Å; K789-E792 PolarHBondContact NZ-OE1 3.35Å; K789-E792 IonicContact NZ-OE2 2.65Å; K789-E792 PolarHBondContact NZ-OE2 2.83Å; K789-E792 PolarHBondContact O-N 3.12Å; E792-N794 PolarHBondContact O-N 2.75Å; E792-N795 PolarHBondContact O-N 3.05Å; E792-V796 WeakPolarHBondContact O-CG2 3.29Å; E792-V796 PolarHBondContact O-N 3.13Å |
| 793 | L | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.7 | -177.4 | 70.4 | 0 | 0 | 0 | 111.6 | L720 R723 L724 Y727 V756 V759 K789 V790 V796 C797 | L720-L793 HydrophobicContact CD1-CD2 4.02Å; R723-L793 HydrophobicContact CB-CD2 4.44Å; R723-L793 HydrophobicContact CG-CD2 4.33Å; L724-L793 HydrophobicContact CD2-CD1 4.11Å; L724-L793 HydrophobicContact CD2-CD2 3.64Å; L724-L793 HydrophobicContact CG-CD2 3.92Å; Y727-L793 HydrophobicContact CD2-CD1 4.33Å; Y727-L793 HydrophobicContact CD2-CD2 3.95Å; Y727-L793 HydrophobicContact CD2-CG 3.93Å; Y727-L793 HydrophobicContact CE2-CD2 3.98Å; Y727-L793 HydrophobicContact CE2-CG 3.8Å; V756-L793 HydrophobicContact CG2-CD1 4.19Å; V759-L793 HydrophobicContact CB-CD1 4.29Å; V759-L793 HydrophobicContact CG2-CD1 4.23Å; K789-L793 WeakPolarHBondContact O-CB 3.19Å; K789-L793 PolarHBondContact O-N 2.98Å; V790-L793 PolarHBondContact O-N 3.25Å; L793-V796 PolarHBondContact O-N 3.38Å; L793-C797 VanDerWaalsContact O-CB 3.28Å; L793-C797 WeakPolarHBondContact O-CB 3.44Å; L793-C797 PolarHBondContact O-N 3.39Å; L793-C797 PolarHBondContact O-SG 2.97Å |
| 794 | N | 92.1 | Very high | 89.2 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 177.5 | -71.9 | -12 | 0 | 0 | 0 | 112.4 | R723 Y727 V790 K791 E792 V796 C797 E798 | R723-N794 WeakPolarHBondContact CD-OD1 3.45Å; R723-N794 VanDerWaalsContact CG-OD1 3.29Å; R723-N794 WeakPolarHBondContact CG-OD1 3.38Å; R723-N794 PolarHBondContact NE-OD1 3.26Å; Y727-N794 PolarHBondContact OH-OD1 3.08Å; V790-N794 WeakPolarHBondContact O-CB 3.48Å; V790-N794 VanDerWaalsContact O-CG 3.26Å; V790-N794 PolarHBondContact O-N 2.64Å; K791-N794 PolarHBondContact O-N 3.47Å; E792-N794 PolarHBondContact O-N 2.75Å; N794-V796 PolarHBondContact O-N 2.89Å; N794-C797 PolarHBondContact O-N 3.22Å; N794-E798 HydrophobicContact CB-CG 4.11Å; N794-E798 WeakPolarHBondContact O-CB 3.26Å; N794-E798 WeakPolarHBondContact O-CG 3.32Å; N794-E798 PolarHBondContact O-N 3.25Å |
| 795 | N | 91.9 | Very high | 88.3 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.1 | -32.8 | 178.1 | -71.9 | -12.6 | 0 | 0 | 0 | 112.7 | K791 E792 P799 | K791-N795 WeakPolarHBondContact O-CB 3.45Å; K791-N795 PolarHBondContact O-N 3.12Å; K791-N795 PolarHBondContact O-ND2 2.83Å; K791-N795 PolarHBondContact O-OD1 2.9Å; E792-N795 PolarHBondContact O-N 3.05Å; N795-P799 WeakPolarHBondContact O-CD 3.04Å; N795-P799 WeakPolarHBondContact O-CG 3.41Å |
| 796 | V | 89.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 64 Ų | 64 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.1 | -41.3 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | E792 L793 N794 | E792-V796 WeakPolarHBondContact O-CG2 3.29Å; E792-V796 PolarHBondContact O-N 3.13Å; L793-V796 PolarHBondContact O-N 3.38Å; N794-V796 PolarHBondContact O-N 2.89Å |
| 797 | C | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -92.9 | -38.7 | -167.3 | -59 | 0 | 0 | 0 | 0 | 114.1 | Y727 V752 L793 N794 V800 V801 | Y727-C797 HydrophobicContact CD1-CB 3.61Å; Y727-C797 HydrophobicContact CD2-CB 3.91Å; Y727-C797 HydrophobicContact CE1-CB 3.4Å; Y727-C797 VanDerWaalsContact CE1-CB 3.4Å; Y727-C797 HydrophobicContact CE2-CB 3.71Å; Y727-C797 HydrophobicContact CG-CB 3.87Å; Y727-C797 VanDerWaalsContact CZ-CB 3.45Å; V752-C797 HydrophobicContact CG1-CB 4.24Å; V752-C797 HydrophobicContact CG2-CB 4.5Å; L793-C797 VanDerWaalsContact O-CB 3.28Å; L793-C797 WeakPolarHBondContact O-CB 3.44Å; L793-C797 PolarHBondContact O-N 3.39Å; L793-C797 PolarHBondContact O-SG 2.97Å; N794-C797 PolarHBondContact O-N 3.22Å; C797-V800 PolarHBondContact O-N 3.19Å; C797-V801 WeakPolarHBondContact O-CG2 3.36Å; C797-V801 PolarHBondContact O-N 2.95Å |
| 798 | E | 89.3 | Confident | 82.4 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | -177.8 | -62.7 | -174.8 | 172.5 | 0 | 0 | 113.9 | R723 Y727 N794 V800 N802 | R723-E798 IonicContact CZ-OE1 2.97Å; R723-E798 IonicContact NE-OE1 3.37Å; R723-E798 IonicContact NH2-OE1 2.79Å; R723-E798 PolarHBondContact NH2-OE1 2.78Å; Y727-E798 WeakPolarHBondContact OH-CG 3.11Å; N794-E798 HydrophobicContact CB-CG 4.11Å; N794-E798 WeakPolarHBondContact O-CB 3.26Å; N794-E798 WeakPolarHBondContact O-CG 3.32Å; N794-E798 PolarHBondContact O-N 3.25Å; E798-V800 PolarHBondContact O-N 3.31Å; E798-N802 WeakPolarHBondContact O-CB 3.39Å; E798-N802 PolarHBondContact O-N 2.98Å; E798-N802 PolarHBondContact O-ND2 3.47Å |
| 799 | P | 87.6 | Confident | 79.9 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.7 | -19.1 | 178.1 | -21.7 | 35.2 | 0 | 0 | 0 | 113.9 | N795 Q803 | N795-P799 WeakPolarHBondContact O-CD 3.04Å; N795-P799 WeakPolarHBondContact O-CG 3.41Å; P799-Q803 VanDerWaalsContact O-CG 3.28Å; P799-Q803 WeakPolarHBondContact O-CG 3.28Å |
| 800 | V | 84.6 | Confident | 77.2 | Confident | 8 Ų | 8 | 84.7 Ų | 84.7 | 5% | 0.048 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -90.3 | -53.2 | 177.6 | 179 | 0 | 0 | 0 | 0 | 110.6 | I744 E748 V752 C797 E798 N802 Q803 | I744-V800 WeakPolarHBondContact CD1-O 3.33Å; I744-V800 HydrophobicContact CG2-CG1 3.69Å; E748-V800 HydrophobicContact CB-CG1 3.82Å; E748-V800 HydrophobicContact CB-CG2 4.25Å; V752-V800 HydrophobicContact CG2-CB 3.66Å; V752-V800 HydrophobicContact CG2-CG1 3.61Å; V752-V800 HydrophobicContact CG2-CG2 4.12Å; C797-V800 PolarHBondContact O-N 3.19Å; E798-V800 PolarHBondContact O-N 3.31Å; V800-N802 PolarHBondContact O-N 2.86Å; V800-Q803 WeakPolarHBondContact O-CG 3.37Å; V800-Q803 PolarHBondContact O-N 3.46Å |
| 801 | V | 85 | Confident | 74.8 | Confident | 7 Ų | 7 | 90.3 Ų | 90.3 | 4% | 0.042 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71.8 | -16.2 | -173.6 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | Y727 I730 V752 C797 | Y727-V801 HydrophobicContact CD1-CG1 4.23Å; Y727-V801 HydrophobicContact CD1-CG2 4.31Å; Y727-V801 HydrophobicContact CE1-CG2 4.01Å; I730-V801 HydrophobicContact CB-CG1 4.39Å; I730-V801 HydrophobicContact CD1-CB 4.03Å; I730-V801 HydrophobicContact CD1-CG1 4.24Å; I730-V801 HydrophobicContact CD1-CG2 4.1Å; I730-V801 HydrophobicContact CG2-CB 4.05Å; I730-V801 HydrophobicContact CG2-CG1 3.72Å; V752-V801 HydrophobicContact CG1-CG1 4.3Å; V752-V801 HydrophobicContact CG2-CG1 4.38Å; C797-V801 WeakPolarHBondContact O-CG2 3.36Å; C797-V801 PolarHBondContact O-N 2.95Å |
| 802 | N | 85.5 | Confident | 72.1 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.7 | 177.5 | -60.8 | -54 | 0 | 0 | 0 | 113.8 | E798 V800 | E798-N802 WeakPolarHBondContact O-CB 3.39Å; E798-N802 PolarHBondContact O-N 2.98Å; E798-N802 PolarHBondContact O-ND2 3.47Å; V800-N802 PolarHBondContact O-N 2.86Å |
| 803 | Q | 80.8 | Confident | 69.4 | Low | 69 Ų | 69 | 97.6 Ų | 97.6 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.3 | 173.9 | -70.9 | -179.8 | 3.9 | 0 | 0 | 110.3 | H743 I744 P799 V800 | H743-Q803 PolarHBondContact NE2-O 3.12Å; I744-Q803 HydrophobicContact CG1-CB 4.46Å; P799-Q803 VanDerWaalsContact O-CG 3.28Å; P799-Q803 WeakPolarHBondContact O-CG 3.28Å; V800-Q803 WeakPolarHBondContact O-CG 3.37Å; V800-Q803 PolarHBondContact O-N 3.46Å |
| 804 | P | 73.6 | Confident | 66.5 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.7 | 178.2 | 30.5 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 805 | K | 72.4 | Confident | 63.7 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 135.3 | 173 | -75.7 | -179 | 174.9 | -171.7 | 0 | 111 | E739 H743 K807 | E739-K805 WeakPolarHBondContact O-CE 3.37Å; E739-K805 PolarHBondContact O-NZ 3.45Å; H743-K805 HydrophobicContact CB-CG 4.4Å; H743-K805 WeakPolarHBondContact ND1-CG 3.14Å; K805-K807 PolarHBondContact O-N 3.47Å |
| 806 | P | 61 | Low | 60.6 | Low | 100 Ų | 100 | 118 Ų | 118 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.5 | 170.3 | -25.4 | 34.5 | 0 | 0 | 0 | 111.6 | ||
| 807 | K | 48.4 | Very low | 58.4 | Low | 206 Ų | 206 | 120.3 Ų | 120.3 | 90% | 0.896 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -74 | 130.8 | 172.5 | -72.2 | -178.3 | 177.6 | 177.3 | 0 | 109.4 | K805 | K805-K807 PolarHBondContact O-N 3.47Š|
| 808 | I | 45.9 | Very low | 55.7 | Low | 160 Ų | 160 | 128.5 Ų | 128.5 | 82% | 0.821 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 120.3 | 176.1 | -57.6 | 173.9 | 0 | 0 | 0 | 108.6 | ||
| 809 | E | 40.8 | Very low | 53 | Low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 141 | 169.1 | -66.8 | -163.5 | 148.3 | 0 | 0 | 111.1 | ||
| 810 | S | 34.2 | Very low | 50.9 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 145.5 | -178.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 811 | P | 42 | Very low | 48.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.8 | -177.3 | -20.8 | 33.1 | 0 | 0 | 0 | 113.7 | ||
| 812 | K | 35.8 | Very low | 45.8 | Very low | 213 Ų | 213 | 141.9 Ų | 141.9 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129 | 171 | -71.4 | 177.9 | 177.6 | 174.4 | 0 | 110.6 | ||
| 813 | L | 35.7 | Very low | 43.2 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 126.3 | 169.9 | -99.6 | 161.6 | 0 | 0 | 0 | 110.2 | ||
| 814 | E | 32.9 | Very low | 40.7 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 136.4 | 167.8 | -67.9 | -167.5 | 139.6 | 0 | 0 | 111.2 | ||
| 815 | R | 32.9 | Very low | 38.6 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -148.2 | 125.7 | 161.3 | -87.7 | -165.7 | 173 | -170.5 | -1.4 | 111.1 | ||||
| 816 | T | 26.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -143.9 | 163.1 | 161.3 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 817 | P | 43.6 | Very low | 35 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | -130.1 | 153.9 | -50 | 36.4 | -24.5 | 0 | 0 | 0 | 112.3 | |||||
| 818 | N | 31.1 | Very low | 34.1 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -165.6 | 104.2 | 149.8 | -101.3 | -20.7 | 0 | 0 | 0 | 109.9 | ||||
| 819 | G | 32.3 | Very low | 33.2 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -94.8 | -162.7 | 156 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 820 | P | 44.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -105.8 | -175.5 | 13.1 | 5.5 | 19.8 | 0 | 0 | 0 | 111.3 | ||||
| 821 | N | 31 | Very low | 32.2 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | -166.5 | 167.4 | -5.1 | -100.7 | -5.4 | 0 | 0 | 0 | 104.8 | ||||
| 822 | L | 30.9 | Very low | 31.6 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | cis | -168.3 | 157.3 | -13.6 | -99.2 | 167.3 | 0 | 0 | 0 | 104.9 | ||||
| 823 | D | 30.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | cis | -150.7 | -170.2 | -2.2 | -152.7 | -2.7 | 0 | 0 | 0 | 111.9 | ||||
| 824 | K | 29.6 | Very low | 30.9 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -45.7 | 154 | 167.3 | -73.6 | 170.1 | 175.7 | -161.6 | 0 | 118 | ||||
| 825 | K | 29.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | 72.8 | 148.5 | 49.5 | -75.5 | -172 | 121.8 | -158.9 | 0 | 112.7 | ||||
| 826 | E | 30.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 54% | 0.537 | 76% | 0.755 | S | S | . | * | cis | -158.2 | 155.2 | 19.5 | -125 | 150 | 159.1 | 0 | 0 | 109.7 | ||||
| 827 | D | 27.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | 121.5 | 161.7 | 109.5 | -89.9 | -11.8 | 0 | 0 | 0 | 110.9 | |||||
| 828 | L | 28.7 | Very low | 29.9 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | cis | -161.6 | 173.9 | -31.2 | -112 | 173.2 | 0 | 0 | 0 | 110.4 | ||||
| 829 | E | 27.9 | Very low | 30.3 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 49.1 | 103.7 | 152.5 | -75.6 | 167.5 | -155.5 | 0 | 0 | 123.1 | ||||
| 830 | G | 25.7 | Very low | 30.3 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | 85.5 | 106.9 | 86.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 831 | K | 27.8 | Very low | 29.5 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | -177.7 | 163.4 | 127.5 | -104.3 | 169.2 | -177 | 174.3 | 0 | 114.1 | |||||
| 832 | D | 29.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 174.3 | -176.9 | -42.8 | -88.8 | 0 | 0 | 0 | 113.2 | ||||
| 833 | N | 27.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | -165.2 | -173.1 | 28 | -156.1 | -14.8 | 0 | 0 | 0 | 112.6 | ||||
| 834 | F | 27.6 | Very low | 29.1 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | 88.1 | 91.7 | 168.2 | -71.9 | -83.7 | 0 | 0 | 0 | 120.6 | ||||
| 835 | G | 28.3 | Very low | 29 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | 60.4 | 126.3 | 106 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 836 | A | 28 | Very low | 29 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 159.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 837 | E | 29.2 | Very low | 29.2 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -102.6 | -171.9 | -177.3 | -62.8 | -174.8 | 103.1 | 0 | 0 | 114.2 | ||||
| 838 | A | 30.2 | Very low | 29.2 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | 90.8 | 160.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 839 | P | 40.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -134.2 | 179.9 | -36.3 | 32.7 | -14.8 | 0 | 0 | 0 | 114 | ||||
| 840 | H | 30.4 | Very low | 29.3 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -70.8 | 147.4 | 161.1 | -79.1 | -87.3 | 0 | 0 | 0 | 112.5 | ||||
| 841 | Q | 29.2 | Very low | 29.4 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -162.6 | 141.4 | 139.3 | -114.8 | -175.6 | 14.5 | 0 | 0 | 114.9 | ||||
| 842 | N | 27.6 | Very low | 29.4 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 55.6 | 140.8 | 148.2 | -60.9 | -3 | 0 | 0 | 0 | 123 | ||||
| 843 | G | 28.4 | Very low | 29.4 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 178.3 | 79.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 844 | E | 27.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -74.8 | 151 | -177.6 | -62.1 | 176.7 | 127 | 0 | 0 | 112.7 | ||||
| 845 | C | 27.2 | Very low | 29.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -144.6 | 112.7 | 167.1 | -96.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 846 | H | 28.8 | Very low | 29.7 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 136.1 | 166.8 | -73 | -71.8 | 0 | 0 | 0 | 111.1 | ||||
| 847 | P | 34.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -100.5 | 138.4 | 144.4 | 34.2 | -27.3 | 0 | 0 | 0 | 109.8 | ||||
| 848 | N | 27.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -133.9 | 112.6 | 173.4 | -177.7 | 17.6 | 0 | 0 | 0 | 109.1 | ||||
| 849 | E | 29.5 | Very low | 30.1 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 64% | 0.64 | 83% | 0.831 | S | S | * | * | 174.5 | 140.9 | 125.3 | -94 | -155.8 | 142 | 0 | 0 | 113.4 | |||||
| 850 | K | 28.9 | Very low | 29.6 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | trans | 61.6 | 98.6 | 146.5 | -65.9 | 163.8 | -175.8 | 151.6 | 0 | 119.6 | ||||
| 851 | G | 26.7 | Very low | 29.5 | Very low | 86 Ų | 86 | 147.9 Ų | 147.9 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -163.9 | 108.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 852 | S | 28 | Very low | 29.5 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -105.6 | 140.6 | -175.1 | 57 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 853 | V | 30.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | trans | 178.4 | 147.3 | 137.5 | 141.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 854 | N | 29.7 | Very low | 29.8 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 73% | 0.733 | 84% | 0.837 | S | S | * | * | trans | -87.4 | 144.4 | 171.7 | -75.8 | 4.2 | 0 | 0 | 0 | 112.1 | ||||
| 855 | M | 30.2 | Very low | 29.9 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 79% | 0.788 | 84% | 0.837 | S | S | * | * | -171.6 | 119.9 | 128.3 | -98.9 | 167.7 | -77.3 | 0 | 0 | 105.2 | |||||
| 856 | D | 29.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | 64.1 | 118.7 | 76.4 | -62.3 | -41.7 | 0 | 0 | 0 | 112 | |||||
| 857 | L | 30.5 | Very low | 30.2 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | trans | -130.4 | 122.9 | 176.2 | -75.7 | 170.5 | 0 | 0 | 0 | 108.1 | ||||
| 858 | D | 36.6 | Very low | 29.8 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 100% | 1.299 | 84% | 0.835 | S | S | * | * | trans | -96.5 | 0 | 155 | -77.7 | -47.6 | 0 | 0 | 0 | 108.6 |
Retrieved 858 of 858 residues in 659.2 ms
(Link to these results)