| 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 | 71 | Confident | 92.3 | Very high | 113 Ų | 113 | 23.1 Ų | 23.1 | 56% | 0.557 | 13% | 0.125 | S | C | * | . | 0 | 128.1 | 0 | -171.2 | 177.2 | -78.7 | 0 | 0 | 108 | D139 S384 P385 A386 | M1-D139 WeakPolarHBondContact CE-OD2 3.31Å; M1-D139 HydrophobicContact CG-CB 4.48Å; M1-D139 VanDerWaalsContact CG-OD2 3.32Å; M1-D139 WeakPolarHBondContact CG-OD2 3.47Å; M1-S384 PolarHBondContact SD-OG 3.03Å; M1-P385 HydrophobicContact CE-CG 4.01Å; M1-P385 HydrophobicContact SD-CG 4.39Å; M1-A386 HydrophobicContact CB-CB 4.28Å | |||
| 2 | S | 84.7 | Confident | 92.7 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 12% | 0.119 | 13% | 0.129 | C | C | . | . | trans | -87.5 | 133.5 | 178 | -60.4 | 0 | 0 | 0 | 0 | 108.5 | P136 | S2-P136 PolarHBondContact OG-O 3.13Š| ||
| 3 | V | 90.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | trans | -98.7 | 112.5 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | V17 A18 I23 A377 C380 A381 F387 | V3-V17 WeakPolarHBondContact O-CA 3.39Å; V3-A18 HydrophobicContact CB-CB 3.72Å; V3-A18 HydrophobicContact CG1-CB 3.78Å; V3-A18 HydrophobicContact CG2-CB 4.41Å; V3-A18 PolarHBondContact O-N 3.12Å; V3-I23 HydrophobicContact CG1-CD1 4.48Å; V3-A377 WeakPolarHBondContact CG1-O 3.44Å; V3-C380 HydrophobicContact CG1-CB 3.92Å; V3-A381 HydrophobicContact CG1-CB 3.88Å; V3-A381 HydrophobicContact CG2-CB 4.36Å; V3-F387 HydrophobicContact CB-CE2 4.26Å; V3-F387 HydrophobicContact CG2-CD2 3.31Å; V3-F387 HydrophobicContact CG2-CE2 3.4Å; V3-F387 HydrophobicContact CG2-CG 4.06Å; V3-F387 HydrophobicContact CG2-CZ 4.19Å | ||
| 4 | V | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.1 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 110 | I6 I15 V17 S129 L133 V137 C140 V141 C380 | V4-I6 HydrophobicContact CG1-CD1 4.41Å; V4-I6 HydrophobicContact CG1-CG1 3.94Å; V4-I15 HydrophobicContact CG1-CG2 4.11Å; V4-V17 HydrophobicContact CG2-CG1 4.2Å; V4-S129 WeakPolarHBondContact CG1-OG 3.34Å; V4-L133 HydrophobicContact CG2-CD1 4Å; V4-V137 HydrophobicContact CB-CG1 4.18Å; V4-V137 HydrophobicContact CG2-CB 4.43Å; V4-V137 HydrophobicContact CG2-CG1 3.61Å; V4-V137 HydrophobicContact CG2-CG2 3.87Å; V4-C140 HydrophobicContact CB-CB 4.35Å; V4-C140 VanDerWaalsContact O-CA 3.29Å; V4-C140 WeakPolarHBondContact O-CA 3.48Å; V4-V141 PolarHBondContact O-N 3.17Å; V4-C380 PolarHBondContact N-SG 3.22Å |
| 5 | G | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I15 A16 C376 | G5-I15 WeakPolarHBondContact O-CA 3.42Å; G5-A16 PolarHBondContact N-O 3.01Å; G5-A16 PolarHBondContact O-N 2.94Å; G5-C376 VanDerWaalsContact CA-CB 3.45Å |
| 6 | I | 98.4 | Very high | 94 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.5 | -178.8 | -52 | 179.7 | 0 | 0 | 0 | 108.3 | V4 V8 L122 L125 C140 V141 V142 S143 L165 | V4-I6 HydrophobicContact CG1-CD1 4.41Å; V4-I6 HydrophobicContact CG1-CG1 3.94Å; I6-V8 HydrophobicContact CG2-CG2 3.67Å; I6-L122 HydrophobicContact CD1-CD2 4.31Å; I6-L122 HydrophobicContact CG2-CD2 4.43Å; I6-L125 HydrophobicContact CG2-CD1 3.62Å; I6-C140 HydrophobicContact CD1-CB 4.22Å; I6-V141 PolarHBondContact N-O 3.12Å; I6-V142 HydrophobicContact CB-CG2 4.41Å; I6-V142 WeakPolarHBondContact O-CA 3.46Å; I6-S143 PolarHBondContact O-N 3.4Å; I6-L165 HydrophobicContact CD1-CD1 4.17Å |
| 7 | D | 98.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 8% | 0.08 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 112.5 | 162.7 | 177.3 | 27.6 | 0 | 0 | 0 | 109.6 | G9 C13 Y14 S143 V372 A373 | D7-G9 PolarHBondContact O-N 3.37Å; D7-C13 CarbonylContact O-C 3.56Å; D7-C13 WeakPolarHBondContact O-CA 3.34Å; D7-C13 VanDerWaalsContact O-CB 3.27Å; D7-C13 WeakPolarHBondContact O-CB 3.26Å; D7-Y14 PolarHBondContact N-O 3.34Å; D7-Y14 PolarHBondContact O-N 3.09Å; D7-S143 VanDerWaalsContact CA-OG 3.26Å; D7-S143 WeakPolarHBondContact CA-OG 3.4Å; D7-S143 PolarHBondContact OD1-OG 3.13Å; D7-V372 HydrophobicContact CB-CB 4.04Å; D7-V372 HydrophobicContact CB-CG1 3.9Å; D7-A373 HydrophobicContact CB-CB 3.85Å |
| 8 | V | 95.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 18.6 Ų | 18.6 | 11% | 0.109 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 75.1 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | I6 K68 L121 L122 V142 S143 | I6-V8 HydrophobicContact CG2-CG2 3.67Å; V8-K68 WeakPolarHBondContact O-CD 3.44Å; V8-K68 WeakPolarHBondContact O-CE 3.1Å; V8-K68 PolarHBondContact O-NZ 3.16Å; V8-L121 HydrophobicContact CG1-CD2 4.33Å; V8-L122 HydrophobicContact CG2-CD2 3.97Å; V8-V142 HydrophobicContact CG2-CG1 3.72Å; V8-S143 PolarHBondContact N-OG 3.03Å |
| 9 | G | 93.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 16% | 0.155 | 11% | 0.114 | C | C | . | . | trans | -68.5 | 163.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D7 Q11 N12 | D7-G9 PolarHBondContact O-N 3.37Å; G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 2.94Å; G9-N12 CarbonylContact C-O 3.6Å; G9-N12 WeakPolarHBondContact CA-O 3.47Å; G9-N12 PolarHBondContact N-O 3.17Å | ||
| 10 | F | 93.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -65.9 | -30.8 | 179.7 | -83.5 | -85.7 | 0 | 0 | 0 | 114 | K68 K69 P145 H205 | F10-K68 HydrophobicContact CD1-CB 3.84Å; F10-K68 HydrophobicContact CD1-CD 4.15Å; F10-K68 HydrophobicContact CD1-CG 4.23Å; F10-K68 HydrophobicContact CD2-CD 4.19Å; F10-K68 HydrophobicContact CE1-CB 3.86Å; F10-K68 HydrophobicContact CE1-CD 4.12Å; F10-K68 HydrophobicContact CE1-CG 3.95Å; F10-K68 HydrophobicContact CE2-CD 4.18Å; F10-K68 HydrophobicContact CG-CD 4.18Å; F10-K68 HydrophobicContact CZ-CD 4.15Å; F10-K68 HydrophobicContact CZ-CG 4.25Å; F10-K69 HydrophobicContact CE1-CB 3.91Å; F10-P145 HydrophobicContact CE2-CG 4.22Å; F10-H205 HydrophobicContact CB-CB 4.27Å |
| 11 | Q | 94.9 | Very high | 91.5 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -113.8 | -43.7 | -177.3 | -171.9 | -176.2 | 23.5 | 0 | 0 | 111.8 | G9 A37 H205 E271 | G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 2.94Å; Q11-A37 PolarHBondContact O-N 2.91Å; Q11-H205 HydrophobicContact CB-CB 3.8Å; Q11-H205 PolarHBondContact OE1-ND1 3.14Å; Q11-E271 PolarHBondContact NE2-OE1 3.24Å; Q11-E271 PolarHBondContact NE2-OE2 2.78Å; Q11-E271 VanDerWaalsContact NE2-OE2 3.09Å |
| 12 | N | 96.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.4 | -180 | -56.6 | -47.7 | 0 | 0 | 0 | 109.4 | G9 Y14 C34 T35 | G9-N12 CarbonylContact C-O 3.6Å; G9-N12 WeakPolarHBondContact CA-O 3.47Å; G9-N12 PolarHBondContact N-O 3.17Å; N12-Y14 HydrophobicContact CB-CE2 4.25Å; N12-C34 HydrophobicContact CB-CB 4.17Å; N12-T35 CarbonylContact C-O 3.57Å |
| 13 | C | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.7 | 174.5 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | D7 C34 T35 L125 | D7-C13 CarbonylContact O-C 3.56Å; D7-C13 WeakPolarHBondContact O-CA 3.34Å; D7-C13 VanDerWaalsContact O-CB 3.27Å; D7-C13 WeakPolarHBondContact O-CB 3.26Å; C13-C34 WeakPolarHBondContact O-CA 3.47Å; C13-T35 PolarHBondContact N-O 3.48Å; C13-T35 PolarHBondContact O-N 3.49Å; C13-L125 HydrophobicContact CB-CD1 3.76Å; C13-L125 HydrophobicContact CB-CD2 3.86Å; C13-L125 HydrophobicContact CB-CG 4.48Å |
| 14 | Y | 98.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 12% | 0.122 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.8 | 176.5 | -62.4 | -92.4 | 0 | 0 | 0 | 109.8 | D7 N12 R33 C34 D369 | D7-Y14 PolarHBondContact N-O 3.34Å; D7-Y14 PolarHBondContact O-N 3.09Å; N12-Y14 HydrophobicContact CB-CE2 4.25Å; Y14-R33 VanDerWaalsContact CD1-O 3.27Å; Y14-R33 WeakPolarHBondContact CD1-O 3.39Å; Y14-C34 HydrophobicContact CD1-CB 3.99Å; Y14-C34 HydrophobicContact CE1-CB 3.39Å; Y14-C34 HydrophobicContact CE2-CB 4.43Å; Y14-D369 WeakPolarHBondContact CD2-O 3.32Å; Y14-D369 HydrophobicContact CE1-CB 3.96Å; Y14-D369 HydrophobicContact CE2-CB 4.35Å |
| 15 | I | 98.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.9 | 178.2 | -61.9 | 161.5 | 0 | 0 | 0 | 107.6 | V4 G5 V17 T25 V26 L125 T128 S129 | V4-I15 HydrophobicContact CG1-CG2 4.11Å; G5-I15 WeakPolarHBondContact O-CA 3.42Å; I15-V17 HydrophobicContact CG2-CG1 4.1Å; I15-T25 CarbonylContact O-C 3.47Å; I15-T25 VanDerWaalsContact O-CA 3.24Å; I15-T25 WeakPolarHBondContact O-CA 3.37Å; I15-V26 HydrophobicContact CB-CB 4.36Å; I15-V26 HydrophobicContact CG2-CB 4.22Å; I15-V26 HydrophobicContact CG2-CG2 4.37Å; I15-V26 PolarHBondContact O-N 2.9Å; I15-L125 HydrophobicContact CD1-CB 3.93Å; I15-L125 HydrophobicContact CD1-CD2 3.78Å; I15-L125 HydrophobicContact CD1-CG 4.45Å; I15-L125 VanDerWaalsContact CD1-O 3.3Å; I15-L125 WeakPolarHBondContact CD1-O 3.25Å; I15-L125 HydrophobicContact CG1-CB 4.31Å; I15-L125 HydrophobicContact CG1-CD2 4.12Å; I15-T128 HydrophobicContact CD1-CG2 3.76Å; I15-S129 VanDerWaalsContact CG2-OG 3.28Å; I15-S129 WeakPolarHBondContact CG2-OG 3.46Å |
| 16 | A | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G5 I23 E24 T25 A373 R374 A377 | G5-A16 PolarHBondContact N-O 3.01Å; G5-A16 PolarHBondContact O-N 2.94Å; A16-I23 HydrophobicContact CB-CG2 4.02Å; A16-E24 CarbonylContact C-O 3.53Å; A16-E24 WeakPolarHBondContact CA-O 3.47Å; A16-E24 WeakPolarHBondContact CB-O 3.47Å; A16-T25 HydrophobicContact CB-CG2 4.24Å; A16-A373 HydrophobicContact CB-CB 4.09Å; A16-A373 WeakPolarHBondContact CB-O 3.44Å; A16-R374 HydrophobicContact CB-CG 4.14Å; A16-A377 HydrophobicContact CB-CB 3.71Å; A16-A377 WeakPolarHBondContact O-CB 3.34Å |
| 17 | V | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.7 | -178.2 | -57.2 | 0 | 0 | 0 | 0 | 111 | V3 V4 I15 R19 I23 E24 V26 L133 | V3-V17 WeakPolarHBondContact O-CA 3.39Å; V4-V17 HydrophobicContact CG2-CG1 4.2Å; I15-V17 HydrophobicContact CG2-CG1 4.1Å; V17-R19 HydrophobicContact CG2-CG 4.32Å; V17-I23 WeakPolarHBondContact O-CA 3.39Å; V17-E24 HydrophobicContact CG2-CG 4.27Å; V17-E24 PolarHBondContact N-O 3.26Å; V17-E24 PolarHBondContact O-N 2.61Å; V17-E24 VanDerWaalsContact O-N 3.07Å; V17-V26 HydrophobicContact CB-CG2 4.19Å; V17-V26 HydrophobicContact CG1-CG2 3.7Å; V17-V26 HydrophobicContact CG2-CG2 3.48Å; V17-V26 VanDerWaalsContact CG2-CG2 3.48Å; V17-L133 HydrophobicContact CB-CD1 4.32Å; V17-L133 HydrophobicContact CB-CD2 4.01Å; V17-L133 HydrophobicContact CB-CG 4.33Å; V17-L133 HydrophobicContact CG1-CD1 4.1Å; V17-L133 HydrophobicContact CG1-CD2 4.47Å; V17-L133 HydrophobicContact CG1-CG 4.24Å; V17-L133 HydrophobicContact CG2-CD2 3.94Å; V17-L133 HydrophobicContact CG2-CG 4.49Å |
| 18 | A | 91.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 35 Ų | 35 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V3 G22 I23 F387 | V3-A18 HydrophobicContact CB-CB 3.72Å; V3-A18 HydrophobicContact CG1-CB 3.78Å; V3-A18 HydrophobicContact CG2-CB 4.41Å; V3-A18 PolarHBondContact O-N 3.12Å; A18-G22 WeakPolarHBondContact CA-O 3.17Å; A18-I23 HydrophobicContact CB-CD1 3.68Å; A18-F387 HydrophobicContact CB-CD1 4.48Å; A18-F387 HydrophobicContact CB-CE1 3.97Å; A18-F387 HydrophobicContact CB-CZ 4.18Å |
| 19 | R | 85.3 | Confident | 92.3 | Very high | 98 Ų | 98 | 39 Ų | 39 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 174.6 | 168.6 | -65.4 | -155.8 | -166.8 | -102.5 | 2.1 | 111.1 | V17 G21 G22 E24 A132 | V17-R19 HydrophobicContact CG2-CG 4.32Å; R19-G21 PolarHBondContact O-N 3.39Å; R19-G22 PolarHBondContact N-O 3.03Å; R19-G22 PolarHBondContact O-N 2.82Å; R19-E24 WeakPolarHBondContact CD-OE1 3.37Å; R19-E24 HydrophobicContact CG-CG 4.27Å; R19-E24 IonicContact CZ-OE1 2.7Å; R19-E24 IonicContact NE-OE1 3.58Å; R19-E24 PolarHBondContact NE-OE1 3.24Å; R19-E24 IonicContact NH2-OE1 3.29Å; R19-A132 VanDerWaalsContact CZ-O 3.3Å; R19-A132 PolarHBondContact NH1-O 3.43Å; R19-A132 PolarHBondContact NH2-O 3.39Å |
| 20 | S | 74.9 | Confident | 92.4 | Very high | 144 Ų | 144 | 43.8 Ų | 43.8 | 100% | 1.007 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -15.5 | -175.4 | -39.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 21 | G | 70.2 | Confident | 92.5 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 90% | 0.897 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 3.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | R19 | R19-G21 PolarHBondContact O-N 3.39Š|
| 22 | G | 86.4 | Confident | 92.6 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | -152 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A18 R19 | A18-G22 WeakPolarHBondContact CA-O 3.17Å; R19-G22 PolarHBondContact N-O 3.03Å; R19-G22 PolarHBondContact O-N 2.82Å |
| 23 | I | 92.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122 | -178.9 | -58.7 | -64.5 | 0 | 0 | 0 | 109.9 | V3 A16 V17 A18 R374 A377 L378 | V3-I23 HydrophobicContact CG1-CD1 4.48Å; A16-I23 HydrophobicContact CB-CG2 4.02Å; V17-I23 WeakPolarHBondContact O-CA 3.39Å; A18-I23 HydrophobicContact CB-CD1 3.68Å; I23-R374 HydrophobicContact CG2-CB 4.14Å; I23-R374 HydrophobicContact CG2-CG 4.22Å; I23-R374 PolarHBondContact O-NE 2.85Å; I23-R374 PolarHBondContact O-NH2 2.82Å; I23-A377 HydrophobicContact CD1-CB 4.07Å; I23-A377 HydrophobicContact CG2-CB 3.65Å; I23-L378 HydrophobicContact CG1-CD2 3.6Å; I23-L378 HydrophobicContact CG1-CG 3.93Å |
| 24 | E | 93.3 | Very high | 92.4 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.7 | 180 | 61.2 | 174.8 | -140.1 | 0 | 0 | 111.6 | A16 V17 R19 | A16-E24 CarbonylContact C-O 3.53Å; A16-E24 WeakPolarHBondContact CA-O 3.47Å; A16-E24 WeakPolarHBondContact CB-O 3.47Å; V17-E24 HydrophobicContact CG2-CG 4.27Å; V17-E24 PolarHBondContact N-O 3.26Å; V17-E24 PolarHBondContact O-N 2.61Å; V17-E24 VanDerWaalsContact O-N 3.07Å; R19-E24 WeakPolarHBondContact CD-OE1 3.37Å; R19-E24 HydrophobicContact CG-CG 4.27Å; R19-E24 IonicContact CZ-OE1 2.7Å; R19-E24 IonicContact NE-OE1 3.58Å; R19-E24 PolarHBondContact NE-OE1 3.24Å; R19-E24 IonicContact NH2-OE1 3.29Å |
| 25 | T | 95.8 | Very high | 92.4 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 148 | 171.8 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | I15 A16 E370 R374 | I15-T25 CarbonylContact O-C 3.47Å; I15-T25 VanDerWaalsContact O-CA 3.24Å; I15-T25 WeakPolarHBondContact O-CA 3.37Å; A16-T25 HydrophobicContact CB-CG2 4.24Å; T25-E370 HydrophobicContact CG2-CB 3.65Å; T25-E370 HydrophobicContact CG2-CG 3.71Å; T25-E370 VanDerWaalsContact OG1-CD 3.24Å; T25-E370 PolarHBondContact OG1-OE1 3.1Å; T25-R374 HydrophobicContact CG2-CG 4.06Å |
| 26 | V | 96 | Very high | 92.4 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | trans | -106.5 | 138 | -174.5 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | I15 V17 T128 A132 | I15-V26 HydrophobicContact CB-CB 4.36Å; I15-V26 HydrophobicContact CG2-CB 4.22Å; I15-V26 HydrophobicContact CG2-CG2 4.37Å; I15-V26 PolarHBondContact O-N 2.9Å; V17-V26 HydrophobicContact CB-CG2 4.19Å; V17-V26 HydrophobicContact CG1-CG2 3.7Å; V17-V26 HydrophobicContact CG2-CG2 3.48Å; V17-V26 VanDerWaalsContact CG2-CG2 3.48Å; V26-T128 HydrophobicContact CG1-CG2 4.15Å; V26-A132 HydrophobicContact CB-CB 4.34Å; V26-A132 HydrophobicContact CG1-CB 3.33Å; V26-A132 HydrophobicContact CG2-CB 4.01Å | ||
| 27 | A | 96.7 | Very high | 92.4 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | trans | -85 | 146.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D32 | A27-D32 CarbonylContact C-O 3.58Å; A27-D32 VanDerWaalsContact CA-O 3.24Å; A27-D32 WeakPolarHBondContact CA-O 3.41Å | ||
| 28 | N | 95.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | trans | -81.3 | -175.4 | 173.4 | 67.9 | 22.7 | 0 | 0 | 0 | 111.9 | Y30 S31 D32 C34 T35 N50 T128 | N28-Y30 PolarHBondContact O-N 2.75Å; N28-Y30 VanDerWaalsContact O-N 3.11Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.48Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.14Å; N28-Y30 PolarHBondContact OD1-N 3.06Å; N28-S31 PolarHBondContact O-N 3.41Å; N28-S31 PolarHBondContact OD1-N 3.37Å; N28-D32 VanDerWaalsContact CG-O 3.32Å; N28-D32 PolarHBondContact N-O 3.47Å; N28-D32 PolarHBondContact OD1-N 2.72Å; N28-D32 PolarHBondContact OD1-O 2.75Å; N28-C34 PolarHBondContact ND2-O 2.73Å; N28-T35 PolarHBondContact ND2-OG1 2.82Å; N28-N50 PolarHBondContact ND2-OD1 3.47Å; N28-T128 HydrophobicContact CB-CG2 4.09Å | ||
| 29 | E | 94.1 | Very high | 92.8 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.8 | -179.2 | 68.7 | -84.3 | -162 | 0 | 0 | 114.7 | K124 | E29-K124 WeakPolarHBondContact OE1-CE 3.48Å; E29-K124 IonicContact OE1-NZ 3.96Å; E29-K124 PolarHBondContact OE1-NZ 2.88Å; E29-K124 WeakPolarHBondContact OE2-CE 3.47Å; E29-K124 IonicContact OE2-NZ 2.84Å; E29-K124 PolarHBondContact OE2-NZ 2.71Å |
| 30 | Y | 94.5 | Very high | 93.4 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 45% | 0.451 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 7.1 | 173.5 | -63.6 | -97.5 | 0 | 0 | 0 | 112.3 | N28 D32 N50 | N28-Y30 PolarHBondContact O-N 2.75Å; N28-Y30 VanDerWaalsContact O-N 3.11Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.48Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.14Å; N28-Y30 PolarHBondContact OD1-N 3.06Å; Y30-D32 PolarHBondContact O-N 3.28Å; Y30-N50 HydrophobicContact CD1-CB 4.26Å; Y30-N50 HydrophobicContact CD2-CB 3.39Å; Y30-N50 HydrophobicContact CE1-CB 4.26Å; Y30-N50 HydrophobicContact CE2-CB 3.44Å; Y30-N50 VanDerWaalsContact CE2-CB 3.44Å; Y30-N50 HydrophobicContact CG-CB 3.85Å |
| 31 | S | 96.2 | Very high | 94.5 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 72% | 0.72 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 63.2 | 12.8 | -172 | -54.5 | 0 | 0 | 0 | 0 | 114.7 | N28 | N28-S31 PolarHBondContact O-N 3.41Å; N28-S31 PolarHBondContact OD1-N 3.37Å |
| 32 | D | 96.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | trans | -83.7 | 137.5 | 172.6 | -74.1 | -32.5 | 0 | 0 | 0 | 110.2 | A27 N28 Y30 C34 N50 | A27-D32 CarbonylContact C-O 3.58Å; A27-D32 VanDerWaalsContact CA-O 3.24Å; A27-D32 WeakPolarHBondContact CA-O 3.41Å; N28-D32 VanDerWaalsContact CG-O 3.32Å; N28-D32 PolarHBondContact N-O 3.47Å; N28-D32 PolarHBondContact OD1-N 2.72Å; N28-D32 PolarHBondContact OD1-O 2.75Å; Y30-D32 PolarHBondContact O-N 3.28Å; D32-C34 PolarHBondContact O-N 3.36Å; D32-N50 PolarHBondContact OD2-ND2 3.42Å | ||
| 33 | R | 95.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 40.8 Ų | 40.8 | 54% | 0.543 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -74.4 | -6.7 | 173.1 | -65.8 | -168.9 | 179.9 | 178.2 | -0.6 | 114.1 | Y14 E370 | Y14-R33 VanDerWaalsContact CD1-O 3.27Å; Y14-R33 WeakPolarHBondContact CD1-O 3.39Å; R33-E370 WeakPolarHBondContact CD-OE1 3.22Å; R33-E370 IonicContact CZ-OE1 3.53Å; R33-E370 IonicContact NE-OE1 3.42Å; R33-E370 IonicContact NH1-OE1 2.73Å; R33-E370 PolarHBondContact NH1-OE1 3.18Å; R33-E370 IonicContact NH1-OE2 3.56Å |
| 34 | C | 95.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.2 | 179.6 | 72.1 | 0 | 0 | 0 | 0 | 110.7 | N12 C13 Y14 N28 D32 | N12-C34 HydrophobicContact CB-CB 4.17Å; C13-C34 WeakPolarHBondContact O-CA 3.47Å; Y14-C34 HydrophobicContact CD1-CB 3.99Å; Y14-C34 HydrophobicContact CE1-CB 3.39Å; Y14-C34 HydrophobicContact CE2-CB 4.43Å; N28-C34 PolarHBondContact ND2-O 2.73Å; D32-C34 PolarHBondContact O-N 3.36Å |
| 35 | T | 98.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.7 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | N12 C13 N28 A37 L125 | N12-T35 CarbonylContact C-O 3.57Å; C13-T35 PolarHBondContact N-O 3.48Å; C13-T35 PolarHBondContact O-N 3.49Å; N28-T35 PolarHBondContact ND2-OG1 2.82Å; T35-A37 PolarHBondContact O-N 3.49Å; T35-L125 HydrophobicContact CG2-CD2 4Å |
| 36 | P | 97.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 137.1 | 177.2 | -27.5 | 35.3 | 0 | 0 | 0 | 112.6 | C38 G49 N50 K53 | P36-C38 HydrophobicContact CB-CB 4.34Å; P36-C38 PolarHBondContact O-N 3.03Å; P36-G49 WeakPolarHBondContact O-CA 3.26Å; P36-N50 WeakPolarHBondContact CD-OD1 3.28Å; P36-K53 HydrophobicContact CB-CB 4.09Å; P36-K53 HydrophobicContact CB-CD 3.93Å; P36-K53 HydrophobicContact CG-CB 4.06Å; P36-K53 HydrophobicContact CG-CD 3.53Å; P36-K53 HydrophobicContact CG-CG 4.41Å |
| 37 | A | 97.4 | Very high | 96 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -77.8 | 65.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q11 T35 L121 | Q11-A37 PolarHBondContact O-N 2.91Å; T35-A37 PolarHBondContact O-N 3.49Å; A37-L121 HydrophobicContact CB-CD2 3.91Å |
| 38 | C | 97.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.1 | -171.6 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | P36 G49 A52 T63 V64 | P36-C38 HydrophobicContact CB-CB 4.34Å; P36-C38 PolarHBondContact O-N 3.03Å; C38-G49 PolarHBondContact O-N 2.96Å; C38-A52 HydrophobicContact CB-CB 4.02Å; C38-A52 WeakPolarHBondContact O-CB 3.5Å; C38-T63 WeakPolarHBondContact SG-CG2 3.42Å; C38-V64 WeakPolarHBondContact CA-O 3.26Å; C38-V64 PolarHBondContact SG-O 2.91Å |
| 39 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.5 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | L41 I48 T63 V64 I117 M120 L121 | V39-L41 HydrophobicContact CG1-CD2 3.63Å; V39-L41 HydrophobicContact CG1-CG 4.48Å; V39-I48 HydrophobicContact CG1-CG1 4.45Å; V39-I48 HydrophobicContact CG2-CG2 4.19Å; V39-T63 CarbonylContact O-C 3.59Å; V39-V64 PolarHBondContact N-O 3.22Å; V39-V64 PolarHBondContact O-N 3.38Å; V39-I117 HydrophobicContact CB-CG2 4.29Å; V39-I117 HydrophobicContact CG2-CG2 4.09Å; V39-M120 HydrophobicContact CG1-CB 4.32Å; V39-M120 HydrophobicContact CG1-SD 3.72Å; V39-M120 HydrophobicContact CG2-CB 4.23Å; V39-L121 HydrophobicContact CG2-CB 4.39Å |
| 40 | S | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.5 | 176.7 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | M47 N59 N62 T63 | S40-M47 PolarHBondContact N-O 3.01Å; S40-M47 PolarHBondContact O-N 3.37Å; S40-N59 PolarHBondContact OG-ND2 2.94Å; S40-N62 WeakPolarHBondContact CA-O 3.35Å; S40-T63 WeakPolarHBondContact CB-OG1 3.39Å; S40-T63 PolarHBondContact OG-OG1 2.91Å |
| 41 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.3 | 176.8 | -57.4 | -154.3 | 0 | 0 | 0 | 109.4 | V39 R46 N59 N62 V103 Y105 F112 M120 | V39-L41 HydrophobicContact CG1-CD2 3.63Å; V39-L41 HydrophobicContact CG1-CG 4.48Å; L41-R46 HydrophobicContact CD2-CB 3.83Å; L41-R46 HydrophobicContact CD2-CG 3.87Å; L41-N59 PolarHBondContact O-ND2 3.13Å; L41-N62 PolarHBondContact N-O 2.85Å; L41-N62 VanDerWaalsContact O-CB 3.23Å; L41-N62 WeakPolarHBondContact O-CB 3.4Å; L41-V103 HydrophobicContact CB-CG2 4.45Å; L41-V103 HydrophobicContact CD1-CG2 3.75Å; L41-V103 HydrophobicContact CG-CG2 4.29Å; L41-Y105 HydrophobicContact CB-CD2 3.86Å; L41-Y105 HydrophobicContact CB-CG 4.23Å; L41-Y105 HydrophobicContact CD1-CD1 4.45Å; L41-Y105 HydrophobicContact CD1-CD2 4.13Å; L41-Y105 HydrophobicContact CD1-CG 3.87Å; L41-Y105 HydrophobicContact CG-CD2 4.43Å; L41-F112 HydrophobicContact CD1-CD2 3.99Å; L41-F112 HydrophobicContact CD1-CE2 3.33Å; L41-F112 HydrophobicContact CD1-CZ 3.69Å; L41-M120 HydrophobicContact CD2-SD 4.05Å |
| 42 | A | 93.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | trans | -123.1 | -173.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N45 M47 Y105 L106 | A42-N45 WeakPolarHBondContact CB-O 3.47Å; A42-N45 PolarHBondContact N-O 3.32Å; A42-N45 VanDerWaalsContact N-O 3.15Å; A42-M47 HydrophobicContact CB-CE 3.84Å; A42-Y105 WeakPolarHBondContact O-CD2 3.19Å; A42-L106 PolarHBondContact O-N 3.37Å | ||
| 43 | S | 92.5 | Very high | 96.4 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 41% | 0.413 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -74.8 | -27.3 | -178.4 | 51.9 | 0 | 0 | 0 | 0 | 114 | L106 D107 | S43-L106 WeakPolarHBondContact O-CA 3.35Å; S43-L106 WeakPolarHBondContact O-CD2 3.37Å; S43-D107 VanDerWaalsContact CB-OD1 3.25Å; S43-D107 WeakPolarHBondContact CB-OD1 3.48Å |
| 44 | K | 91.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 26.5 Ų | 26.5 | 41% | 0.413 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -106.6 | -40.4 | -177.6 | -65.2 | -176.3 | 177.5 | 176.5 | 0 | 113.1 | L106 Q613 V617 D671 | K44-L106 WeakPolarHBondContact O-CD2 3.44Å; K44-Q613 PolarHBondContact O-NE2 2.94Å; K44-V617 HydrophobicContact CB-CG1 4.49Å; K44-V617 HydrophobicContact CB-CG2 4.32Å; K44-D671 IonicContact NZ-OD1 2.62Å; K44-D671 PolarHBondContact NZ-OD1 3.22Å; K44-D671 IonicContact NZ-OD2 3.01Å; K44-D671 PolarHBondContact NZ-OD2 3.46Å |
| 45 | N | 94.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 28 Ų | 28 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | trans | -155.8 | 179.3 | -173 | 67.8 | -41.4 | 0 | 0 | 0 | 111.5 | A42 D614 V617 | A42-N45 WeakPolarHBondContact CB-O 3.47Å; A42-N45 PolarHBondContact N-O 3.32Å; A42-N45 VanDerWaalsContact N-O 3.15Å; N45-D614 WeakPolarHBondContact CB-OD1 3.38Å; N45-V617 HydrophobicContact CB-CB 4.04Å; N45-V617 HydrophobicContact CB-CG1 4.05Å; N45-V617 HydrophobicContact CB-CG2 4.09Å | ||
| 46 | R | 96.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.4 | 171.5 | -36.7 | -171.8 | -50.1 | 179.5 | 10.8 | 110.1 | L41 Y105 M120 E607 M610 D614 | L41-R46 HydrophobicContact CD2-CB 3.83Å; L41-R46 HydrophobicContact CD2-CG 3.87Å; R46-Y105 HydrophobicContact CG-CE2 3.66Å; R46-M120 PolarHBondContact NH1-SD 3.41Å; R46-E607 IonicContact CZ-OE1 3.01Å; R46-E607 IonicContact CZ-OE2 2.71Å; R46-E607 IonicContact NH1-OE1 3.91Å; R46-E607 PolarHBondContact NH1-OE1 3.01Å; R46-E607 IonicContact NH1-OE2 3.09Å; R46-E607 PolarHBondContact NH1-OE2 3.4Å; R46-E607 IonicContact NH2-OE1 3.59Å; R46-E607 PolarHBondContact NH2-OE1 3.01Å; R46-E607 IonicContact NH2-OE2 3.81Å; R46-M610 PolarHBondContact NH1-SD 3.08Å; R46-D614 WeakPolarHBondContact CG-OD1 3.4Å; R46-D614 IonicContact CZ-OD2 3.47Å; R46-D614 PolarHBondContact N-OD1 3.34Å; R46-D614 IonicContact NE-OD2 2.96Å; R46-D614 PolarHBondContact NE-OD2 3.03Å; R46-D614 VanDerWaalsContact NE-OD2 3.09Å |
| 47 | M | 97.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 30.2 Ų | 30.2 | 20% | 0.202 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.6 | 168.4 | -69 | 170.5 | -85.1 | 0 | 0 | 108.3 | S40 A42 A51 A52 Q55 | S40-M47 PolarHBondContact N-O 3.01Å; S40-M47 PolarHBondContact O-N 3.37Å; A42-M47 HydrophobicContact CB-CE 3.84Å; M47-A51 HydrophobicContact CB-CB 3.99Å; M47-A51 HydrophobicContact CG-CB 4.29Å; M47-A52 WeakPolarHBondContact O-CB 3.48Å; M47-Q55 HydrophobicContact CE-CG 3.83Å; M47-Q55 HydrophobicContact SD-CG 3.79Å |
| 48 | I | 98.1 | Very high | 96 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.8 | -173.5 | -51.7 | 171.3 | 0 | 0 | 0 | 108.8 | V39 M120 L121 K124 | V39-I48 HydrophobicContact CG1-CG1 4.45Å; V39-I48 HydrophobicContact CG2-CG2 4.19Å; I48-M120 HydrophobicContact CD1-CB 4.01Å; I48-M120 WeakPolarHBondContact CD1-O 3.22Å; I48-L121 HydrophobicContact CG2-CD1 4.09Å; I48-K124 HydrophobicContact CB-CB 3.94Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.33Å; I48-K124 HydrophobicContact CG2-CB 3.47Å; I48-K124 VanDerWaalsContact CG2-CB 3.47Å; I48-K124 HydrophobicContact CG2-CG 3.81Å |
| 49 | G | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -132.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P36 C38 A51 A52 K53 | P36-G49 WeakPolarHBondContact O-CA 3.26Å; C38-G49 PolarHBondContact O-N 2.96Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 3.05Å; G49-A52 WeakPolarHBondContact O-CB 3.18Å; G49-A52 PolarHBondContact O-N 2.95Å; G49-K53 PolarHBondContact O-N 2.81Å |
| 50 | N | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | -178.2 | -71.1 | 58.6 | 0 | 0 | 0 | 112.4 | N28 Y30 D32 P36 K53 S54 | N28-N50 PolarHBondContact ND2-OD1 3.47Å; Y30-N50 HydrophobicContact CD1-CB 4.26Å; Y30-N50 HydrophobicContact CD2-CB 3.39Å; Y30-N50 HydrophobicContact CE1-CB 4.26Å; Y30-N50 HydrophobicContact CE2-CB 3.44Å; Y30-N50 VanDerWaalsContact CE2-CB 3.44Å; Y30-N50 HydrophobicContact CG-CB 3.85Å; D32-N50 PolarHBondContact OD2-ND2 3.42Å; P36-N50 WeakPolarHBondContact CD-OD1 3.28Å; N50-K53 PolarHBondContact O-N 3.19Å; N50-S54 PolarHBondContact O-N 2.87Å; N50-S54 VanDerWaalsContact O-N 3.12Å; N50-S54 PolarHBondContact O-OG 2.93Å |
| 51 | A | 96 | Very high | 95.7 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M47 G49 S54 | M47-A51 HydrophobicContact CB-CB 3.99Å; M47-A51 HydrophobicContact CG-CB 4.29Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 3.05Å; A51-S54 PolarHBondContact O-N 2.86Å |
| 52 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C38 M47 G49 S54 Q55 V56 | C38-A52 HydrophobicContact CB-CB 4.02Å; C38-A52 WeakPolarHBondContact O-CB 3.5Å; M47-A52 WeakPolarHBondContact O-CB 3.48Å; G49-A52 WeakPolarHBondContact O-CB 3.18Å; G49-A52 PolarHBondContact O-N 2.95Å; A52-S54 PolarHBondContact O-N 2.85Å; A52-Q55 WeakPolarHBondContact O-CA 3.42Å; A52-Q55 WeakPolarHBondContact O-CB 3.16Å; A52-Q55 PolarHBondContact O-N 2.82Å; A52-V56 PolarHBondContact O-N 2.82Å |
| 53 | K | 96.2 | Very high | 95.9 | Very high | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.5 | -36.8 | 179.1 | -175.2 | 175.1 | 178.6 | 179.8 | 0 | 112 | P36 G49 N50 Q55 V56 | P36-K53 HydrophobicContact CB-CB 4.09Å; P36-K53 HydrophobicContact CB-CD 3.93Å; P36-K53 HydrophobicContact CG-CB 4.06Å; P36-K53 HydrophobicContact CG-CD 3.53Å; P36-K53 HydrophobicContact CG-CG 4.41Å; G49-K53 PolarHBondContact O-N 2.81Å; N50-K53 PolarHBondContact O-N 3.19Å; K53-Q55 PolarHBondContact O-N 3.36Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 VanDerWaalsContact O-CG2 3.27Å; K53-V56 WeakPolarHBondContact O-CG2 3.48Å; K53-V56 PolarHBondContact O-N 3.42Å |
| 54 | S | 95.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 62% | 0.615 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -66.3 | -20.8 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | N50 A51 A52 | N50-S54 PolarHBondContact O-N 2.87Å; N50-S54 VanDerWaalsContact O-N 3.12Å; N50-S54 PolarHBondContact O-OG 2.93Å; A51-S54 PolarHBondContact O-N 2.86Å; A52-S54 PolarHBondContact O-N 2.85Å |
| 55 | Q | 95.5 | Very high | 96.2 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.7 | -179.9 | -58.6 | -59.7 | -33.3 | 0 | 0 | 114.1 | M47 A52 K53 I57 T58 N59 T63 | M47-Q55 HydrophobicContact CE-CG 3.83Å; M47-Q55 HydrophobicContact SD-CG 3.79Å; A52-Q55 WeakPolarHBondContact O-CA 3.42Å; A52-Q55 WeakPolarHBondContact O-CB 3.16Å; A52-Q55 PolarHBondContact O-N 2.82Å; K53-Q55 PolarHBondContact O-N 3.36Å; Q55-I57 PolarHBondContact O-N 2.86Å; Q55-I57 VanDerWaalsContact O-N 3.16Å; Q55-T58 WeakPolarHBondContact CA-OG1 3.44Å; Q55-T58 PolarHBondContact O-N 3.39Å; Q55-T58 PolarHBondContact O-OG1 3.37Å; Q55-T58 PolarHBondContact OE1-OG1 3.31Å; Q55-N59 HydrophobicContact CB-CB 4.1Å; Q55-N59 CarbonylContact O-C 3.5Å; Q55-N59 WeakPolarHBondContact O-CA 3.47Å; Q55-N59 PolarHBondContact O-N 3.04Å; Q55-T63 PolarHBondContact O-OG1 2.68Å |
| 56 | V | 94.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.4 | -175.2 | 168.4 | 0 | 0 | 0 | 0 | 112.5 | A52 K53 F60 T63 L264 | A52-V56 PolarHBondContact O-N 2.82Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 VanDerWaalsContact O-CG2 3.27Å; K53-V56 WeakPolarHBondContact O-CG2 3.48Å; K53-V56 PolarHBondContact O-N 3.42Å; V56-F60 WeakPolarHBondContact O-CA 3.28Å; V56-F60 WeakPolarHBondContact O-CB 3.33Å; V56-T63 HydrophobicContact CB-CG2 4.35Å; V56-T63 HydrophobicContact CG2-CG2 3.62Å; V56-L264 HydrophobicContact CG1-CD1 4.36Å; V56-L264 HydrophobicContact CG1-CD2 4.15Å; V56-L264 WeakPolarHBondContact O-CD1 3.36Å |
| 57 | I | 94.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.205 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -47.9 | 180 | -62.6 | 163.4 | 0 | 0 | 0 | 111.2 | Q55 R261 L264 R265 | Q55-I57 PolarHBondContact O-N 2.86Å; Q55-I57 VanDerWaalsContact O-N 3.16Å; I57-R261 HydrophobicContact CG2-CB 4.25Å; I57-R261 HydrophobicContact CG2-CG 4.3Å; I57-L264 HydrophobicContact CG1-CB 4.36Å; I57-R265 HydrophobicContact CD1-CG 3.58Å; I57-R265 HydrophobicContact CG1-CG 4.22Å; I57-R265 HydrophobicContact CG2-CG 4.38Å |
| 58 | T | 94.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 36 Ų | 36 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -43.5 | -174.3 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | Q55 R261 | Q55-T58 WeakPolarHBondContact CA-OG1 3.44Å; Q55-T58 PolarHBondContact O-N 3.39Å; Q55-T58 PolarHBondContact O-OG1 3.37Å; Q55-T58 PolarHBondContact OE1-OG1 3.31Å; T58-R261 PolarHBondContact O-NH2 3.33Å |
| 59 | N | 96.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 39.9 | -178 | -166.4 | 25.1 | 0 | 0 | 0 | 112.2 | S40 L41 Q55 K61 N62 T63 | S40-N59 PolarHBondContact OG-ND2 2.94Å; L41-N59 PolarHBondContact O-ND2 3.13Å; Q55-N59 HydrophobicContact CB-CB 4.1Å; Q55-N59 CarbonylContact O-C 3.5Å; Q55-N59 WeakPolarHBondContact O-CA 3.47Å; Q55-N59 PolarHBondContact O-N 3.04Å; N59-K61 VanDerWaalsContact C-N 3.28Å; N59-K61 PolarHBondContact O-N 2.85Å; N59-K61 VanDerWaalsContact O-N 3.15Å; N59-N62 CarbonylContact O-C 3.48Å; N59-N62 PolarHBondContact O-N 3.05Å; N59-N62 VanDerWaalsContact O-N 3.08Å; N59-N62 PolarHBondContact OD1-ND2 3.31Å; N59-T63 WeakPolarHBondContact O-CB 3.16Å; N59-T63 PolarHBondContact O-N 2.69Å; N59-T63 PolarHBondContact O-OG1 3.17Å |
| 60 | F | 95.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -56.2 | -34.4 | -170.4 | 72.6 | -89.9 | 0 | 0 | 0 | 115.2 | V56 N62 P88 P260 R261 L264 | V56-F60 WeakPolarHBondContact O-CA 3.28Å; V56-F60 WeakPolarHBondContact O-CB 3.33Å; F60-N62 VanDerWaalsContact C-N 3.29Å; F60-N62 PolarHBondContact O-N 2.96Å; F60-P88 HydrophobicContact CB-CB 4.27Å; F60-P88 HydrophobicContact CD2-CB 3.9Å; F60-P260 HydrophobicContact CD2-CB 4.11Å; F60-P260 HydrophobicContact CE2-CB 3.72Å; F60-P260 HydrophobicContact CE2-CG 4.13Å; F60-P260 HydrophobicContact CZ-CB 4.04Å; F60-P260 HydrophobicContact CZ-CG 4.31Å; F60-R261 HydrophobicContact CD1-CG 4.07Å; F60-R261 HydrophobicContact CE1-CG 4.15Å; F60-L264 HydrophobicContact CB-CD1 3.54Å; F60-L264 HydrophobicContact CG-CD1 4.32Å |
| 61 | K | 96.3 | Very high | 95.2 | Very high | 131 Ų | 131 | 35.7 Ų | 35.7 | 57% | 0.57 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -70.3 | -25.3 | -178.8 | -65.1 | -173.6 | 178.8 | 179.6 | 0 | 113.4 | N59 Y89 | N59-K61 VanDerWaalsContact C-N 3.28Å; N59-K61 PolarHBondContact O-N 2.85Å; N59-K61 VanDerWaalsContact O-N 3.15Å; K61-Y89 VanDerWaalsContact O-CB 3.31Å; K61-Y89 WeakPolarHBondContact O-CB 3.49Å |
| 62 | N | 97.4 | Very high | 95 | Very high | 29 Ų | 29 | 35 Ų | 35 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -115.8 | 9.3 | -176.9 | -46.2 | -58.2 | 0 | 0 | 0 | 111.9 | S40 L41 N59 F60 V103 R104 | S40-N62 WeakPolarHBondContact CA-O 3.35Å; L41-N62 PolarHBondContact N-O 2.85Å; L41-N62 VanDerWaalsContact O-CB 3.23Å; L41-N62 WeakPolarHBondContact O-CB 3.4Å; N59-N62 CarbonylContact O-C 3.48Å; N59-N62 PolarHBondContact O-N 3.05Å; N59-N62 VanDerWaalsContact O-N 3.08Å; N59-N62 PolarHBondContact OD1-ND2 3.31Å; F60-N62 VanDerWaalsContact C-N 3.29Å; F60-N62 PolarHBondContact O-N 2.96Å; N62-V103 HydrophobicContact CB-CB 4.38Å; N62-R104 PolarHBondContact OD1-N 2.94Å |
| 63 | T | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 104.6 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | C38 V39 S40 Q55 V56 N59 | C38-T63 WeakPolarHBondContact SG-CG2 3.42Å; V39-T63 CarbonylContact O-C 3.59Å; S40-T63 WeakPolarHBondContact CB-OG1 3.39Å; S40-T63 PolarHBondContact OG-OG1 2.91Å; Q55-T63 PolarHBondContact O-OG1 2.68Å; V56-T63 HydrophobicContact CB-CG2 4.35Å; V56-T63 HydrophobicContact CG2-CG2 3.62Å; N59-T63 WeakPolarHBondContact O-CB 3.16Å; N59-T63 PolarHBondContact O-N 2.69Å; N59-T63 PolarHBondContact O-OG1 3.17Å |
| 64 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.7 | -172.8 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | C38 V39 F67 Y89 I101 V103 I117 | C38-V64 WeakPolarHBondContact CA-O 3.26Å; C38-V64 PolarHBondContact SG-O 2.91Å; V39-V64 PolarHBondContact N-O 3.22Å; V39-V64 PolarHBondContact O-N 3.38Å; V64-F67 HydrophobicContact CG1-CB 4Å; V64-F67 HydrophobicContact CG1-CD1 3.8Å; V64-F67 HydrophobicContact CG1-CG 4.22Å; V64-Y89 HydrophobicContact CB-CE1 4.48Å; V64-Y89 HydrophobicContact CG1-CD2 4.49Å; V64-Y89 HydrophobicContact CG1-CE1 4.02Å; V64-Y89 HydrophobicContact CG1-CE2 3.94Å; V64-I101 HydrophobicContact CG1-CD1 3.93Å; V64-I101 HydrophobicContact CG1-CG2 3.95Å; V64-I101 HydrophobicContact CG2-CG2 3.76Å; V64-V103 HydrophobicContact CG2-CG1 3.86Å; V64-I117 HydrophobicContact CG1-CG2 4.19Å |
| 65 | H | 94.7 | Very high | 94.4 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 27% | 0.269 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156 | 175.5 | 60.9 | 82.9 | 0 | 0 | 0 | 109.8 | F67 P88 Y89 | H65-F67 PolarHBondContact O-N 3.01Å; H65-P88 WeakPolarHBondContact NE2-CG 3.46Å; H65-Y89 WeakPolarHBondContact O-CE1 3.36Å; H65-Y89 PolarHBondContact O-OH 3.44Å |
| 66 | G | 93 | Very high | 94.3 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 67.4 | 19 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K68 K69 | G66-K68 VanDerWaalsContact C-N 3.33Å; G66-K69 WeakPolarHBondContact O-CD 3.46Å; G66-K69 WeakPolarHBondContact O-CE 3.33Å; G66-K69 WeakPolarHBondContact O-CG 3.05Å |
| 67 | F | 94.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -73.8 | -20.3 | -179.8 | 55.8 | -92.3 | 0 | 0 | 0 | 113.6 | V64 H65 K69 F70 I101 V114 I117 S118 L121 | V64-F67 HydrophobicContact CG1-CB 4Å; V64-F67 HydrophobicContact CG1-CD1 3.8Å; V64-F67 HydrophobicContact CG1-CG 4.22Å; H65-F67 PolarHBondContact O-N 3.01Å; F67-K69 PolarHBondContact O-N 3.44Å; F67-F70 HydrophobicContact CB-CD2 4.42Å; F67-F70 WeakPolarHBondContact O-CB 3.34Å; F67-F70 PolarHBondContact O-N 3.07Å; F67-I101 HydrophobicContact CB-CD1 3.84Å; F67-V114 HydrophobicContact CD2-CG1 4.5Å; F67-I117 HydrophobicContact CD1-CG2 3.77Å; F67-I117 HydrophobicContact CD2-CB 4.41Å; F67-I117 HydrophobicContact CD2-CG2 3.8Å; F67-I117 HydrophobicContact CE1-CG2 3.77Å; F67-I117 HydrophobicContact CE2-CG2 3.81Å; F67-I117 HydrophobicContact CG-CG2 3.78Å; F67-I117 HydrophobicContact CZ-CG2 3.77Å; F67-S118 VanDerWaalsContact CE2-OG 3.29Å; F67-S118 WeakPolarHBondContact CE2-OG 3.29Å; F67-L121 HydrophobicContact CE2-CD2 4.5Å; F67-L121 HydrophobicContact CZ-CB 4.34Å; F67-L121 HydrophobicContact CZ-CD2 3.83Å |
| 68 | K | 93.5 | Very high | 94 | Very high | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.057 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -52.4 | -31.2 | 179.7 | -175.5 | -179.5 | -179.3 | -175.6 | 0 | 113.2 | V8 F10 G66 F70 H71 F148 | V8-K68 WeakPolarHBondContact O-CD 3.44Å; V8-K68 WeakPolarHBondContact O-CE 3.1Å; V8-K68 PolarHBondContact O-NZ 3.16Å; F10-K68 HydrophobicContact CD1-CB 3.84Å; F10-K68 HydrophobicContact CD1-CD 4.15Å; F10-K68 HydrophobicContact CD1-CG 4.23Å; F10-K68 HydrophobicContact CD2-CD 4.19Å; F10-K68 HydrophobicContact CE1-CB 3.86Å; F10-K68 HydrophobicContact CE1-CD 4.12Å; F10-K68 HydrophobicContact CE1-CG 3.95Å; F10-K68 HydrophobicContact CE2-CD 4.18Å; F10-K68 HydrophobicContact CG-CD 4.18Å; F10-K68 HydrophobicContact CZ-CD 4.15Å; F10-K68 HydrophobicContact CZ-CG 4.25Å; G66-K68 VanDerWaalsContact C-N 3.33Å; K68-F70 PolarHBondContact O-N 3.3Å; K68-H71 PolarHBondContact O-CD2 3.41Å; K68-H71 PolarHBondContact O-N 3.38Å; K68-F148 HydrophobicContact CG-CZ 4.21Å |
| 69 | K | 90.6 | Very high | 93.8 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -69.9 | -8.7 | 179.3 | 72.7 | -163.4 | 177.2 | -174 | 0 | 114.1 | F10 G66 F67 R73 F79 E83 | F10-K69 HydrophobicContact CE1-CB 3.91Å; G66-K69 WeakPolarHBondContact O-CD 3.46Å; G66-K69 WeakPolarHBondContact O-CE 3.33Å; G66-K69 WeakPolarHBondContact O-CG 3.05Å; F67-K69 PolarHBondContact O-N 3.44Å; K69-R73 VanDerWaalsContact O-CD 3.27Å; K69-R73 WeakPolarHBondContact O-CD 3.34Å; K69-R73 PolarHBondContact O-NE 2.78Å; K69-F79 HydrophobicContact CB-CE1 4.05Å; K69-F79 HydrophobicContact CB-CZ 4.27Å; K69-F79 HydrophobicContact CD-CE1 4.32Å; K69-F79 HydrophobicContact CD-CZ 4.17Å; K69-F79 HydrophobicContact CG-CE1 4.05Å; K69-F79 HydrophobicContact CG-CZ 4.34Å; K69-E83 HydrophobicContact CD-CG 4.4Å; K69-E83 WeakPolarHBondContact CE-OE2 3.5Å; K69-E83 IonicContact NZ-OE2 3.2Å; K69-E83 PolarHBondContact NZ-OE2 2.83Å |
| 70 | F | 94.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -102.3 | -1.6 | -177.7 | -55.3 | -49.5 | 0 | 0 | 0 | 113.8 | F67 K68 G72 R73 V80 E83 L87 L91 T99 V114 | F67-F70 HydrophobicContact CB-CD2 4.42Å; F67-F70 WeakPolarHBondContact O-CB 3.34Å; F67-F70 PolarHBondContact O-N 3.07Å; K68-F70 PolarHBondContact O-N 3.3Å; F70-G72 PolarHBondContact O-N 2.88Å; F70-R73 PolarHBondContact O-N 3.31Å; F70-V80 HydrophobicContact CD1-CG1 4.41Å; F70-V80 HydrophobicContact CD1-CG2 3.99Å; F70-V80 HydrophobicContact CE1-CG1 4.36Å; F70-V80 HydrophobicContact CE1-CG2 4.39Å; F70-E83 HydrophobicContact CE1-CB 4.11Å; F70-E83 HydrophobicContact CZ-CB 4.2Å; F70-L87 HydrophobicContact CE2-CD1 3.8Å; F70-L87 HydrophobicContact CZ-CD1 3.72Å; F70-L91 HydrophobicContact CE1-CD1 4.22Å; F70-L91 HydrophobicContact CE2-CD1 4.26Å; F70-L91 HydrophobicContact CE2-CD2 4.32Å; F70-L91 HydrophobicContact CZ-CD1 3.94Å; F70-T99 HydrophobicContact CB-CG2 4.46Å; F70-V114 HydrophobicContact CB-CG1 4.36Å; F70-V114 HydrophobicContact CB-CG2 3.65Å |
| 71 | H | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 134.5 | 176.1 | -89.8 | -65.6 | 0 | 0 | 0 | 111.2 | K68 R73 S118 E152 S155 | K68-H71 PolarHBondContact O-CD2 3.41Å; K68-H71 PolarHBondContact O-N 3.38Å; H71-R73 WeakPolarHBondContact O-CG 3.44Å; H71-R73 PolarHBondContact O-N 3.41Å; H71-S118 PolarHBondContact CE1-OG 2.81Å; H71-S118 PolarHBondContact NE2-OG 3.43Å; H71-E152 VanDerWaalsContact O-CG 3.24Å; H71-E152 WeakPolarHBondContact O-CG 3.35Å; H71-S155 PolarHBondContact ND1-OG 3.45Å |
| 72 | G | 90.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 15.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F70 S155 R593 | F70-G72 PolarHBondContact O-N 2.88Å; G72-S155 PolarHBondContact N-OG 2.9Å; G72-R593 WeakPolarHBondContact O-CD 3.32Å |
| 73 | R | 91.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | trans | -103.1 | 143.1 | -175.5 | -68 | -169 | -179.8 | -112.4 | -6.6 | 114.4 | K69 F70 H71 D77 V80 T99 E152 P453 | K69-R73 VanDerWaalsContact O-CD 3.27Å; K69-R73 WeakPolarHBondContact O-CD 3.34Å; K69-R73 PolarHBondContact O-NE 2.78Å; F70-R73 PolarHBondContact O-N 3.31Å; H71-R73 WeakPolarHBondContact O-CG 3.44Å; H71-R73 PolarHBondContact O-N 3.41Å; R73-D77 IonicContact CZ-OD2 3.79Å; R73-D77 IonicContact NH1-OD2 3.93Å; R73-D77 PolarHBondContact NH1-OD2 3.45Å; R73-V80 HydrophobicContact CB-CG2 3.86Å; R73-T99 PolarHBondContact O-N 3.41Å; R73-T99 VanDerWaalsContact O-N 3.11Å; R73-T99 PolarHBondContact O-OG1 2.8Å; R73-T99 VanDerWaalsContact O-OG1 3.09Å; R73-E152 IonicContact CZ-OE1 2.67Å; R73-E152 IonicContact NE-OE1 2.68Å; R73-E152 IonicContact NH2-OE1 3.04Å; R73-E152 PolarHBondContact NH2-OE1 2.83Å; R73-P453 PolarHBondContact NH1-O 3.23Å; R73-P453 PolarHBondContact NH2-O 2.85Å; R73-P453 VanDerWaalsContact NH2-O 3.08Å | ||
| 74 | A | 92.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -65.4 | 145 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D76 D77 V80 T99 R593 | A74-D76 PolarHBondContact O-N 2.82Å; A74-D77 HydrophobicContact CB-CB 4.28Å; A74-D77 VanDerWaalsContact O-CB 3.29Å; A74-D77 WeakPolarHBondContact O-CB 3.32Å; A74-D77 PolarHBondContact O-N 3.1Å; A74-V80 WeakPolarHBondContact O-CG2 3.41Å; A74-T99 VanDerWaalsContact C-OG1 3.31Å; A74-T99 PolarHBondContact O-OG1 2.98Å; A74-R593 VanDerWaalsContact CA-NH1 3.26Å |
| 75 | F | 94.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -41.1 | 170.3 | -179.4 | -97.9 | 0 | 0 | 0 | 111.3 | D77 Q81 L91 D92 K93 G97 T99 | F75-D77 PolarHBondContact O-N 3.18Å; F75-Q81 PolarHBondContact O-NE2 2.89Å; F75-L91 HydrophobicContact CE2-CB 4Å; F75-D92 VanDerWaalsContact CD2-C 3.44Å; F75-D92 VanDerWaalsContact CD2-O 3.28Å; F75-D92 WeakPolarHBondContact CD2-O 3.26Å; F75-D92 VanDerWaalsContact CE2-C 3.44Å; F75-K93 HydrophobicContact CB-CB 3.97Å; F75-K93 HydrophobicContact CB-CD 4.38Å; F75-K93 HydrophobicContact CB-CG 3.87Å; F75-K93 HydrophobicContact CD1-CB 3.63Å; F75-K93 HydrophobicContact CD1-CD 3.98Å; F75-K93 HydrophobicContact CD1-CG 4.03Å; F75-K93 HydrophobicContact CD2-CB 4.16Å; F75-K93 HydrophobicContact CE1-CB 4.03Å; F75-K93 HydrophobicContact CG-CB 3.66Å; F75-K93 HydrophobicContact CG-CD 4.47Å; F75-K93 HydrophobicContact CG-CG 4.06Å; F75-K93 HydrophobicContact CZ-CB 4.44Å; F75-G97 PolarHBondContact N-O 2.9Å; F75-T99 WeakPolarHBondContact CA-OG1 3.49Å; F75-T99 HydrophobicContact CD2-CG2 4.49Å; F75-T99 PolarHBondContact N-OG1 2.84Å |
| 76 | D | 93.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 4.7 | -177.8 | -53.6 | -45 | 0 | 0 | 0 | 113.8 | A74 K93 | A74-D76 PolarHBondContact O-N 2.82Å; D76-K93 IonicContact OD1-NZ 2.81Å; D76-K93 WeakPolarHBondContact OD2-CE 3.3Å; D76-K93 IonicContact OD2-NZ 3.88Å; D76-K93 PolarHBondContact OD2-NZ 3.03Å |
| 77 | D | 91.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | trans | -59.4 | 126.9 | 173.7 | 178.5 | -15.9 | 0 | 0 | 0 | 109.2 | R73 A74 F75 F79 V80 Q81 | R73-D77 IonicContact CZ-OD2 3.79Å; R73-D77 IonicContact NH1-OD2 3.93Å; R73-D77 PolarHBondContact NH1-OD2 3.45Å; A74-D77 HydrophobicContact CB-CB 4.28Å; A74-D77 VanDerWaalsContact O-CB 3.29Å; A74-D77 WeakPolarHBondContact O-CB 3.32Å; A74-D77 PolarHBondContact O-N 3.1Å; F75-D77 PolarHBondContact O-N 3.18Å; D77-F79 PolarHBondContact O-N 3.34Å; D77-F79 VanDerWaalsContact O-N 3.1Å; D77-F79 WeakPolarHBondContact OD1-CB 3.49Å; D77-F79 PolarHBondContact OD1-N 3.44Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.85Å; D77-V80 WeakPolarHBondContact O-CA 3.48Å; D77-V80 WeakPolarHBondContact O-CB 3.41Å; D77-V80 PolarHBondContact O-N 3.39Å; D77-Q81 PolarHBondContact O-N 3.37Å | ||
| 78 | P | 91.3 | Very high | 92.1 | Very high | 84 Ų | 84 | 38.6 Ų | 38.6 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.9 | -35.4 | 177.4 | -28.1 | 35.2 | 0 | 0 | 0 | 113.6 | Q81 S82 P455 | P78-Q81 PolarHBondContact O-N 3.22Å; P78-S82 WeakPolarHBondContact O-CB 3.35Å; P78-S82 PolarHBondContact O-N 2.98Å; P78-P455 HydrophobicContact CG-CG 4.27Å |
| 79 | F | 89.6 | Confident | 92.2 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 175.3 | 174.9 | -102.2 | 0 | 0 | 0 | 111.5 | K69 D77 Q81 S82 E83 Y230 | K69-F79 HydrophobicContact CB-CE1 4.05Å; K69-F79 HydrophobicContact CB-CZ 4.27Å; K69-F79 HydrophobicContact CD-CE1 4.32Å; K69-F79 HydrophobicContact CD-CZ 4.17Å; K69-F79 HydrophobicContact CG-CE1 4.05Å; K69-F79 HydrophobicContact CG-CZ 4.34Å; D77-F79 PolarHBondContact O-N 3.34Å; D77-F79 VanDerWaalsContact O-N 3.1Å; D77-F79 WeakPolarHBondContact OD1-CB 3.49Å; D77-F79 PolarHBondContact OD1-N 3.44Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3.07Å; F79-S82 PolarHBondContact O-N 3.23Å; F79-S82 PolarHBondContact O-OG 2.86Å; F79-E83 HydrophobicContact CD2-CG 4.28Å; F79-E83 HydrophobicContact CE1-CG 4.1Å; F79-E83 HydrophobicContact CE2-CG 3.8Å; F79-E83 HydrophobicContact CZ-CG 3.72Å; F79-E83 WeakPolarHBondContact O-CG 3.26Å; F79-E83 PolarHBondContact O-N 2.8Å; F79-Y230 HydrophobicContact CD2-CD1 4.2Å; F79-Y230 AromaticContact CD2-CE1 3.55Å; F79-Y230 HydrophobicContact CD2-CE1 3.55Å; F79-Y230 AromaticContact CE2-CD1 3.52Å; F79-Y230 HydrophobicContact CE2-CD1 3.52Å; F79-Y230 AromaticContact CE2-CE1 3.22Å; F79-Y230 HydrophobicContact CE2-CE1 3.22Å; F79-Y230 HydrophobicContact CG-CE1 4.33Å; F79-Y230 HydrophobicContact CZ-CD1 4.11Å; F79-Y230 AromaticContact CZ-CE1 3.76Å; F79-Y230 HydrophobicContact CZ-CE1 3.76Å |
| 80 | V | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 178 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | F70 R73 A74 D77 S82 E83 K84 L91 T99 | F70-V80 HydrophobicContact CD1-CG1 4.41Å; F70-V80 HydrophobicContact CD1-CG2 3.99Å; F70-V80 HydrophobicContact CE1-CG1 4.36Å; F70-V80 HydrophobicContact CE1-CG2 4.39Å; R73-V80 HydrophobicContact CB-CG2 3.86Å; A74-V80 WeakPolarHBondContact O-CG2 3.41Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.85Å; D77-V80 WeakPolarHBondContact O-CA 3.48Å; D77-V80 WeakPolarHBondContact O-CB 3.41Å; D77-V80 PolarHBondContact O-N 3.39Å; V80-S82 VanDerWaalsContact C-N 3.34Å; V80-S82 PolarHBondContact O-N 3.09Å; V80-E83 PolarHBondContact O-N 2.87Å; V80-K84 WeakPolarHBondContact O-CB 3.33Å; V80-K84 PolarHBondContact O-N 2.69Å; V80-L91 HydrophobicContact CG1-CD1 3.89Å; V80-T99 HydrophobicContact CG1-CG2 3.97Å |
| 81 | Q | 94.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.7 | -65 | -59.2 | -43.6 | 0 | 0 | 112.3 | F75 D77 P78 F79 E83 K84 | F75-Q81 PolarHBondContact O-NE2 2.89Å; D77-Q81 PolarHBondContact O-N 3.37Å; P78-Q81 PolarHBondContact O-N 3.22Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3.07Å; Q81-E83 VanDerWaalsContact C-N 3.35Å; Q81-E83 PolarHBondContact O-N 2.84Å; Q81-K84 PolarHBondContact O-N 2.83Å |
| 82 | S | 92.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -31.8 | 177.9 | 78 | 0 | 0 | 0 | 0 | 113.6 | P78 F79 V80 S85 | P78-S82 WeakPolarHBondContact O-CB 3.35Å; P78-S82 PolarHBondContact O-N 2.98Å; F79-S82 PolarHBondContact O-N 3.23Å; F79-S82 PolarHBondContact O-OG 2.86Å; V80-S82 VanDerWaalsContact C-N 3.34Å; V80-S82 PolarHBondContact O-N 3.09Å; S82-S85 PolarHBondContact O-OG 3.27Å |
| 83 | E | 91.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -85.4 | -27.1 | 179.6 | -68.4 | -71.6 | 99.9 | 0 | 0 | 111.8 | K69 F70 F79 V80 Q81 S85 K86 R234 | K69-E83 HydrophobicContact CD-CG 4.4Å; K69-E83 WeakPolarHBondContact CE-OE2 3.5Å; K69-E83 IonicContact NZ-OE2 3.2Å; K69-E83 PolarHBondContact NZ-OE2 2.83Å; F70-E83 HydrophobicContact CE1-CB 4.11Å; F70-E83 HydrophobicContact CZ-CB 4.2Å; F79-E83 HydrophobicContact CD2-CG 4.28Å; F79-E83 HydrophobicContact CE1-CG 4.1Å; F79-E83 HydrophobicContact CE2-CG 3.8Å; F79-E83 HydrophobicContact CZ-CG 3.72Å; F79-E83 WeakPolarHBondContact O-CG 3.26Å; F79-E83 PolarHBondContact O-N 2.8Å; V80-E83 PolarHBondContact O-N 2.87Å; Q81-E83 VanDerWaalsContact C-N 3.35Å; Q81-E83 PolarHBondContact O-N 2.84Å; E83-S85 PolarHBondContact O-N 2.79Å; E83-K86 PolarHBondContact O-N 2.84Å; E83-K86 IonicContact OE1-NZ 3.52Å; E83-K86 PolarHBondContact OE1-NZ 3.4Å; E83-R234 IonicContact OE1-NH2 3.56Å; E83-R234 PolarHBondContact OE1-NH2 3.38Å; E83-R234 IonicContact OE2-CZ 2.7Å; E83-R234 IonicContact OE2-NH1 3.24Å; E83-R234 PolarHBondContact OE2-NH1 3.16Å; E83-R234 IonicContact OE2-NH2 2.71Å; E83-R234 PolarHBondContact OE2-NH2 3.49Å |
| 84 | K | 93.3 | Very high | 93 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.1 | -39.7 | 179 | -177.1 | -178.6 | 177.2 | -176.4 | 0 | 112.6 | V80 Q81 K86 L87 L91 | V80-K84 WeakPolarHBondContact O-CB 3.33Å; V80-K84 PolarHBondContact O-N 2.69Å; Q81-K84 PolarHBondContact O-N 2.83Å; K84-K86 PolarHBondContact O-N 2.84Å; K84-L87 PolarHBondContact O-N 2.82Å; K84-L91 HydrophobicContact CB-CD1 4.16Å; K84-L91 HydrophobicContact CG-CB 4.37Å; K84-L91 HydrophobicContact CG-CD1 4.3Å; K84-L91 HydrophobicContact CG-CG 4.44Å |
| 85 | S | 88.9 | Confident | 92.9 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.1 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | S82 E83 | S82-S85 PolarHBondContact O-OG 3.27Å; E83-S85 PolarHBondContact O-N 2.79Å |
| 86 | K | 89.1 | Confident | 92.5 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -2.1 | -177.7 | -53.5 | 177.3 | -166.4 | 162.5 | 0 | 112.9 | E83 K84 | E83-K86 PolarHBondContact O-N 2.84Å; E83-K86 IonicContact OE1-NZ 3.52Å; E83-K86 PolarHBondContact OE1-NZ 3.4Å; K84-K86 PolarHBondContact O-N 2.84Å |
| 87 | L | 92.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | trans | -93 | 143.6 | -176.8 | -67 | 174.9 | 0 | 0 | 0 | 111.4 | F70 K84 Y89 L91 | F70-L87 HydrophobicContact CE2-CD1 3.8Å; F70-L87 HydrophobicContact CZ-CD1 3.72Å; K84-L87 PolarHBondContact O-N 2.82Å; L87-Y89 VanDerWaalsContact C-N 3.27Å; L87-Y89 HydrophobicContact CB-CE1 4.43Å; L87-Y89 WeakPolarHBondContact CB-O 3.49Å; L87-Y89 HydrophobicContact CD1-CD2 4.38Å; L87-Y89 HydrophobicContact CD1-CE2 3.71Å; L87-Y89 HydrophobicContact CD2-CE1 3.92Å; L87-L91 HydrophobicContact CD1-CD1 3.9Å; L87-L91 HydrophobicContact CD1-CD2 4.06Å; L87-L91 HydrophobicContact CD1-CG 3.93Å | ||
| 88 | P | 92.2 | Very high | 92.4 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -75.2 | -17.9 | 173 | 28.5 | -31.5 | 0 | 0 | 0 | 113.2 | F60 H65 L264 | F60-P88 HydrophobicContact CB-CB 4.27Å; F60-P88 HydrophobicContact CD2-CB 3.9Å; H65-P88 WeakPolarHBondContact NE2-CG 3.46Å; P88-L264 HydrophobicContact CB-CD1 4.14Å; P88-L264 HydrophobicContact CG-CD2 4.37Å |
| 89 | Y | 94.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -113.3 | 163.8 | -179.8 | 60.7 | -95.7 | 0 | 0 | 0 | 111.5 | K61 V64 H65 L87 L91 I101 | K61-Y89 VanDerWaalsContact O-CB 3.31Å; K61-Y89 WeakPolarHBondContact O-CB 3.49Å; V64-Y89 HydrophobicContact CB-CE1 4.48Å; V64-Y89 HydrophobicContact CG1-CD2 4.49Å; V64-Y89 HydrophobicContact CG1-CE1 4.02Å; V64-Y89 HydrophobicContact CG1-CE2 3.94Å; H65-Y89 WeakPolarHBondContact O-CE1 3.36Å; H65-Y89 PolarHBondContact O-OH 3.44Å; L87-Y89 VanDerWaalsContact C-N 3.27Å; L87-Y89 HydrophobicContact CB-CE1 4.43Å; L87-Y89 WeakPolarHBondContact CB-O 3.49Å; L87-Y89 HydrophobicContact CD1-CD2 4.38Å; L87-Y89 HydrophobicContact CD1-CE2 3.71Å; L87-Y89 HydrophobicContact CD2-CE1 3.92Å; Y89-L91 HydrophobicContact CD2-CD2 4.34Å; Y89-L91 HydrophobicContact CE2-CD2 3.84Å; Y89-I101 HydrophobicContact CD2-CG2 3.92Å; Y89-I101 HydrophobicContact CE2-CG1 4.44Å; Y89-I101 HydrophobicContact CE2-CG2 4.03Å |
| 90 | S | 95.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.1 | -173.6 | -65 | 0 | 0 | 0 | 0 | 112.6 | K102 | S90-K102 PolarHBondContact O-N 2.97Å |
| 91 | L | 96.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 147.1 | 167.4 | -58 | -177.3 | 0 | 0 | 0 | 110.3 | F70 F75 V80 K84 L87 Y89 T99 G100 I101 | F70-L91 HydrophobicContact CE1-CD1 4.22Å; F70-L91 HydrophobicContact CE2-CD1 4.26Å; F70-L91 HydrophobicContact CE2-CD2 4.32Å; F70-L91 HydrophobicContact CZ-CD1 3.94Å; F75-L91 HydrophobicContact CE2-CB 4Å; V80-L91 HydrophobicContact CG1-CD1 3.89Å; K84-L91 HydrophobicContact CB-CD1 4.16Å; K84-L91 HydrophobicContact CG-CB 4.37Å; K84-L91 HydrophobicContact CG-CD1 4.3Å; K84-L91 HydrophobicContact CG-CG 4.44Å; L87-L91 HydrophobicContact CD1-CD1 3.9Å; L87-L91 HydrophobicContact CD1-CD2 4.06Å; L87-L91 HydrophobicContact CD1-CG 3.93Å; Y89-L91 HydrophobicContact CD2-CD2 4.34Å; Y89-L91 HydrophobicContact CE2-CD2 3.84Å; L91-T99 HydrophobicContact CB-CG2 4.44Å; L91-T99 HydrophobicContact CD1-CG2 4.06Å; L91-T99 HydrophobicContact CD2-CG2 4.23Å; L91-T99 HydrophobicContact CG-CG2 4.49Å; L91-G100 CarbonylContact C-O 3.55Å; L91-G100 VanDerWaalsContact CA-O 3.31Å; L91-G100 WeakPolarHBondContact CA-O 3.45Å; L91-I101 HydrophobicContact CD2-CG1 3.88Å |
| 92 | D | 95.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.1 | 178 | -152.7 | -2.6 | 0 | 0 | 0 | 112.4 | F75 G100 K102 V111 | F75-D92 VanDerWaalsContact CD2-C 3.44Å; F75-D92 VanDerWaalsContact CD2-O 3.28Å; F75-D92 WeakPolarHBondContact CD2-O 3.26Å; F75-D92 VanDerWaalsContact CE2-C 3.44Å; D92-G100 PolarHBondContact N-O 3.46Å; D92-G100 WeakPolarHBondContact O-CA 3.49Å; D92-G100 PolarHBondContact O-N 2.74Å; D92-K102 HydrophobicContact CB-CB 4.31Å; D92-V111 HydrophobicContact CB-CG1 4.16Å; D92-V111 HydrophobicContact CB-CG2 4.39Å |
| 93 | K | 96.4 | Very high | 93.5 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 116.9 | 179.8 | -174.9 | 169.6 | 176.4 | 170.8 | 0 | 109.9 | F75 D76 | F75-K93 HydrophobicContact CB-CB 3.97Å; F75-K93 HydrophobicContact CB-CD 4.38Å; F75-K93 HydrophobicContact CB-CG 3.87Å; F75-K93 HydrophobicContact CD1-CB 3.63Å; F75-K93 HydrophobicContact CD1-CD 3.98Å; F75-K93 HydrophobicContact CD1-CG 4.03Å; F75-K93 HydrophobicContact CD2-CB 4.16Å; F75-K93 HydrophobicContact CE1-CB 4.03Å; F75-K93 HydrophobicContact CG-CB 3.66Å; F75-K93 HydrophobicContact CG-CD 4.47Å; F75-K93 HydrophobicContact CG-CG 4.06Å; F75-K93 HydrophobicContact CZ-CB 4.44Å; D76-K93 IonicContact OD1-NZ 2.81Å; D76-K93 WeakPolarHBondContact OD2-CE 3.3Å; D76-K93 IonicContact OD2-NZ 3.88Å; D76-K93 PolarHBondContact OD2-NZ 3.03Å |
| 94 | L | 93.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | trans | -72.1 | 162.6 | 176.1 | -62.1 | 174 | 0 | 0 | 0 | 111.4 | N96 G97 S98 V111 T113 | L94-N96 WeakPolarHBondContact CB-OD1 3.36Å; L94-N96 PolarHBondContact O-N 2.77Å; L94-G97 WeakPolarHBondContact O-CA 3.35Å; L94-G97 PolarHBondContact O-N 3.24Å; L94-S98 WeakPolarHBondContact CB-O 3.4Å; L94-S98 PolarHBondContact N-O 2.99Å; L94-V111 HydrophobicContact CD2-CG1 3.72Å; L94-T113 HydrophobicContact CD1-CG2 3.68Å | ||
| 95 | A | 89.7 | Confident | 93.9 | Very high | 120 Ų | 120 | 49 Ų | 49 | 99% | 0.992 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G97 | A95-G97 VanDerWaalsContact C-N 3.25Å; A95-G97 PolarHBondContact O-N 2.59Å |
| 96 | N | 86.2 | Confident | 94.2 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.4 | 175 | 66.7 | -0 | 0 | 0 | 0 | 113.8 | L94 S98 | L94-N96 WeakPolarHBondContact CB-OD1 3.36Å; L94-N96 PolarHBondContact O-N 2.77Å; N96-S98 VanDerWaalsContact C-N 3.28Å; N96-S98 PolarHBondContact O-N 2.81Å; N96-S98 VanDerWaalsContact OD1-CB 3.23Å; N96-S98 WeakPolarHBondContact OD1-CB 3.2Å; N96-S98 PolarHBondContact OD1-N 2.85Å; N96-S98 PolarHBondContact OD1-OG 3.32Å |
| 97 | G | 90.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 46 Ų | 46 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 76.9 | 4.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F75 L94 A95 | F75-G97 PolarHBondContact N-O 2.9Å; L94-G97 WeakPolarHBondContact O-CA 3.35Å; L94-G97 PolarHBondContact O-N 3.24Å; A95-G97 VanDerWaalsContact C-N 3.25Å; A95-G97 PolarHBondContact O-N 2.59Å |
| 98 | S | 92 | Very high | 94.7 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 165 | 174.2 | -62 | 0 | 0 | 0 | 0 | 111.8 | L94 N96 | L94-S98 WeakPolarHBondContact CB-O 3.4Å; L94-S98 PolarHBondContact N-O 2.99Å; N96-S98 VanDerWaalsContact C-N 3.28Å; N96-S98 PolarHBondContact O-N 2.81Å; N96-S98 VanDerWaalsContact OD1-CB 3.23Å; N96-S98 WeakPolarHBondContact OD1-CB 3.2Å; N96-S98 PolarHBondContact OD1-N 2.85Å; N96-S98 PolarHBondContact OD1-OG 3.32Å |
| 99 | T | 94.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.2 | 180 | -52.2 | 0 | 0 | 0 | 0 | 111 | F70 R73 A74 F75 V80 L91 | F70-T99 HydrophobicContact CB-CG2 4.46Å; R73-T99 PolarHBondContact O-N 3.41Å; R73-T99 VanDerWaalsContact O-N 3.11Å; R73-T99 PolarHBondContact O-OG1 2.8Å; R73-T99 VanDerWaalsContact O-OG1 3.09Å; A74-T99 VanDerWaalsContact C-OG1 3.31Å; A74-T99 PolarHBondContact O-OG1 2.98Å; F75-T99 WeakPolarHBondContact CA-OG1 3.49Å; F75-T99 HydrophobicContact CD2-CG2 4.49Å; F75-T99 PolarHBondContact N-OG1 2.84Å; V80-T99 HydrophobicContact CG1-CG2 3.97Å; L91-T99 HydrophobicContact CB-CG2 4.44Å; L91-T99 HydrophobicContact CD1-CG2 4.06Å; L91-T99 HydrophobicContact CD2-CG2 4.23Å; L91-T99 HydrophobicContact CG-CG2 4.49Å |
| 100 | G | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 158 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L91 D92 F112 | L91-G100 CarbonylContact C-O 3.55Å; L91-G100 VanDerWaalsContact CA-O 3.31Å; L91-G100 WeakPolarHBondContact CA-O 3.45Å; D92-G100 PolarHBondContact N-O 3.46Å; D92-G100 WeakPolarHBondContact O-CA 3.49Å; D92-G100 PolarHBondContact O-N 2.74Å; G100-F112 CarbonylContact C-O 3.04Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å |
| 101 | I | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.7 | 179.9 | -63.7 | 166.5 | 0 | 0 | 0 | 108.1 | V64 F67 Y89 L91 V103 V111 F112 V114 I117 | V64-I101 HydrophobicContact CG1-CD1 3.93Å; V64-I101 HydrophobicContact CG1-CG2 3.95Å; V64-I101 HydrophobicContact CG2-CG2 3.76Å; F67-I101 HydrophobicContact CB-CD1 3.84Å; Y89-I101 HydrophobicContact CD2-CG2 3.92Å; Y89-I101 HydrophobicContact CE2-CG1 4.44Å; Y89-I101 HydrophobicContact CE2-CG2 4.03Å; L91-I101 HydrophobicContact CD2-CG1 3.88Å; I101-V103 HydrophobicContact CG2-CG1 4.13Å; I101-V111 WeakPolarHBondContact O-CA 3.39Å; I101-F112 PolarHBondContact N-O 3.11Å; I101-F112 PolarHBondContact O-N 2.92Å; I101-V114 HydrophobicContact CD1-CG2 4.34Å; I101-I117 HydrophobicContact CD1-CB 4.43Å; I101-I117 HydrophobicContact CD1-CG1 3.89Å |
| 102 | K | 97.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.1 | -173.2 | -178.9 | 175.9 | -177.5 | 165.5 | 0 | 110.4 | S90 D92 E109 V111 | S90-K102 PolarHBondContact O-N 2.97Å; D92-K102 HydrophobicContact CB-CB 4.31Å; K102-E109 VanDerWaalsContact CE-CG 3.49Å; K102-E109 WeakPolarHBondContact CE-OE1 3.37Å; K102-E109 WeakPolarHBondContact CE-OE2 3.33Å; K102-E109 HydrophobicContact CG-CG 4.33Å; K102-E109 IonicContact NZ-OE1 3.11Å; K102-E109 PolarHBondContact NZ-OE1 2.74Å; K102-E109 IonicContact NZ-OE2 2.83Å; K102-E109 PolarHBondContact NZ-OE2 3.1Å; K102-E109 VanDerWaalsContact NZ-OE2 3.14Å; K102-V111 HydrophobicContact CB-CG2 4.3Å; K102-V111 HydrophobicContact CG-CG2 4.28Å |
| 103 | V | 97.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 163.3 | -176 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | L41 N62 V64 I101 K110 F112 | L41-V103 HydrophobicContact CB-CG2 4.45Å; L41-V103 HydrophobicContact CD1-CG2 3.75Å; L41-V103 HydrophobicContact CG-CG2 4.29Å; N62-V103 HydrophobicContact CB-CB 4.38Å; V64-V103 HydrophobicContact CG2-CG1 3.86Å; I101-V103 HydrophobicContact CG2-CG1 4.13Å; V103-K110 PolarHBondContact N-O 3.15Å; V103-K110 PolarHBondContact O-N 3.26Å; V103-K110 VanDerWaalsContact O-O 3.05Å; V103-F112 HydrophobicContact CG2-CD2 3.72Å; V103-F112 HydrophobicContact CG2-CE2 3.8Å |
| 104 | R | 97.4 | Very high | 95.2 | Very high | 151 Ų | 151 | 49.1 Ų | 49.1 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.1 | 167.5 | -175.7 | 175.6 | -109.7 | 145.7 | -0.9 | 109.6 | N62 D107 E108 | N62-R104 PolarHBondContact OD1-N 2.94Å; R104-D107 PolarHBondContact NE-O 3.45Å; R104-D107 VanDerWaalsContact NE-O 3.1Å; R104-E108 CarbonylContact C-O 3.5Å; R104-E108 VanDerWaalsContact CA-O 3.26Å; R104-E108 WeakPolarHBondContact CA-O 3.31Å |
| 105 | Y | 97 | Very high | 95.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.1 | 179 | 176.7 | -124.6 | 0 | 0 | 0 | 109.9 | L41 A42 R46 D107 E108 K110 F112 M610 | L41-Y105 HydrophobicContact CB-CD2 3.86Å; L41-Y105 HydrophobicContact CB-CG 4.23Å; L41-Y105 HydrophobicContact CD1-CD1 4.45Å; L41-Y105 HydrophobicContact CD1-CD2 4.13Å; L41-Y105 HydrophobicContact CD1-CG 3.87Å; L41-Y105 HydrophobicContact CG-CD2 4.43Å; A42-Y105 WeakPolarHBondContact O-CD2 3.19Å; R46-Y105 HydrophobicContact CG-CE2 3.66Å; Y105-D107 PolarHBondContact O-N 2.87Å; Y105-E108 PolarHBondContact N-O 2.83Å; Y105-E108 PolarHBondContact O-N 3.47Å; Y105-K110 HydrophobicContact CD1-CD 4.16Å; Y105-F112 HydrophobicContact CD1-CZ 4.03Å; Y105-M610 HydrophobicContact CE1-CG 4.08Å; Y105-M610 HydrophobicContact CE1-SD 4Å |
| 106 | L | 95.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 42.7 | -171.3 | -53 | 178 | 0 | 0 | 0 | 111.8 | A42 S43 K44 E108 | A42-L106 PolarHBondContact O-N 3.37Å; S43-L106 WeakPolarHBondContact O-CA 3.35Å; S43-L106 WeakPolarHBondContact O-CD2 3.37Å; K44-L106 WeakPolarHBondContact O-CD2 3.44Å; L106-E108 PolarHBondContact O-N 3.42Å |
| 107 | D | 94.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 38.2 Ų | 38.2 | 58% | 0.578 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -1.4 | -176.9 | -59.4 | -45.4 | 0 | 0 | 0 | 116.6 | S43 R104 Y105 | S43-D107 VanDerWaalsContact CB-OD1 3.25Å; S43-D107 WeakPolarHBondContact CB-OD1 3.48Å; R104-D107 PolarHBondContact NE-O 3.45Å; R104-D107 VanDerWaalsContact NE-O 3.1Å; Y105-D107 PolarHBondContact O-N 2.87Å |
| 108 | E | 96.5 | Very high | 96.8 | Very high | 115 Ų | 115 | 37.7 Ų | 37.7 | 54% | 0.537 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 146.7 | 176.5 | -65.6 | 179.8 | 162.1 | 0 | 0 | 112.2 | R104 Y105 L106 K110 | R104-E108 CarbonylContact C-O 3.5Å; R104-E108 VanDerWaalsContact CA-O 3.26Å; R104-E108 WeakPolarHBondContact CA-O 3.31Å; Y105-E108 PolarHBondContact N-O 2.83Å; Y105-E108 PolarHBondContact O-N 3.47Å; L106-E108 PolarHBondContact O-N 3.42Å; E108-K110 HydrophobicContact CB-CG 4.46Å; E108-K110 PolarHBondContact O-N 3.43Å; E108-K110 WeakPolarHBondContact OE2-CE 2.78Å; E108-K110 IonicContact OE2-NZ 3.7Å; E108-K110 PolarHBondContact OE2-NZ 3.06Å |
| 109 | E | 96.9 | Very high | 97.1 | Very high | 136 Ų | 136 | 37.1 Ų | 37.1 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.2 | 170.8 | -173.7 | 174 | 100.9 | 0 | 0 | 109.9 | K102 | K102-E109 VanDerWaalsContact CE-CG 3.49Å; K102-E109 WeakPolarHBondContact CE-OE1 3.37Å; K102-E109 WeakPolarHBondContact CE-OE2 3.33Å; K102-E109 HydrophobicContact CG-CG 4.33Å; K102-E109 IonicContact NZ-OE1 3.11Å; K102-E109 PolarHBondContact NZ-OE1 2.74Å; K102-E109 IonicContact NZ-OE2 2.83Å; K102-E109 PolarHBondContact NZ-OE2 3.1Å; K102-E109 VanDerWaalsContact NZ-OE2 3.14Å |
| 110 | K | 96.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 37 Ų | 37 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.1 | -179.8 | -62.7 | -166.4 | -177.6 | -177.4 | 0 | 111.1 | V103 Y105 E108 F112 Y606 | V103-K110 PolarHBondContact N-O 3.15Å; V103-K110 PolarHBondContact O-N 3.26Å; V103-K110 VanDerWaalsContact O-O 3.05Å; Y105-K110 HydrophobicContact CD1-CD 4.16Å; E108-K110 HydrophobicContact CB-CG 4.46Å; E108-K110 PolarHBondContact O-N 3.43Å; E108-K110 WeakPolarHBondContact OE2-CE 2.78Å; E108-K110 IonicContact OE2-NZ 3.7Å; E108-K110 PolarHBondContact OE2-NZ 3.06Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.7Å; K110-F112 HydrophobicContact CB-CZ 4.29Å; K110-F112 HydrophobicContact CD-CZ 4.36Å; K110-Y606 WeakPolarHBondContact CD-OH 3.5Å; K110-Y606 PolarHBondContact NZ-OH 2.81Å; K110-Y606 VanDerWaalsContact NZ-OH 3.12Å |
| 111 | V | 97.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 37 Ų | 37 | 35% | 0.345 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117 | 173.9 | -174 | 0 | 0 | 0 | 0 | 108.1 | D92 L94 I101 K102 | D92-V111 HydrophobicContact CB-CG1 4.16Å; D92-V111 HydrophobicContact CB-CG2 4.39Å; L94-V111 HydrophobicContact CD2-CG1 3.72Å; I101-V111 WeakPolarHBondContact O-CA 3.39Å; K102-V111 HydrophobicContact CB-CG2 4.3Å; K102-V111 HydrophobicContact CG-CG2 4.28Å |
| 112 | F | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.1 | 176.9 | -68.3 | -90 | 0 | 0 | 0 | 110.4 | L41 G100 I101 V103 Y105 K110 Q116 I117 M120 Y606 M610 | L41-F112 HydrophobicContact CD1-CD2 3.99Å; L41-F112 HydrophobicContact CD1-CE2 3.33Å; L41-F112 HydrophobicContact CD1-CZ 3.69Å; G100-F112 CarbonylContact C-O 3.04Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å; I101-F112 PolarHBondContact N-O 3.11Å; I101-F112 PolarHBondContact O-N 2.92Å; V103-F112 HydrophobicContact CG2-CD2 3.72Å; V103-F112 HydrophobicContact CG2-CE2 3.8Å; Y105-F112 HydrophobicContact CD1-CZ 4.03Å; K110-F112 HydrophobicContact CB-CD2 4.29Å; K110-F112 HydrophobicContact CB-CE2 3.7Å; K110-F112 HydrophobicContact CB-CZ 4.29Å; K110-F112 HydrophobicContact CD-CZ 4.36Å; F112-Q116 HydrophobicContact CB-CB 4.37Å; F112-Q116 HydrophobicContact CD1-CB 4.19Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 3.97Å; F112-I117 HydrophobicContact CD2-CD1 4.46Å; F112-I117 HydrophobicContact CG-CD1 4.09Å; F112-M120 HydrophobicContact CD1-CE 3.43Å; F112-M120 VanDerWaalsContact CD1-CE 3.43Å; F112-M120 HydrophobicContact CE1-CE 3.37Å; F112-M120 HydrophobicContact CG-CE 4.11Å; F112-M120 HydrophobicContact CZ-CE 4.05Å; F112-Y606 HydrophobicContact CE1-CD1 4.44Å; F112-Y606 AromaticContact CE1-CE1 3.63Å; F112-Y606 HydrophobicContact CE1-CE1 3.63Å; F112-Y606 HydrophobicContact CZ-CE1 4.26Å; F112-M610 HydrophobicContact CE1-CE 4.2Å; F112-M610 HydrophobicContact CE1-SD 3.91Å; F112-M610 HydrophobicContact CZ-SD 4.25Å |
| 113 | T | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 160.4 | 168 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | L94 E115 Q116 I117 F603 | L94-T113 HydrophobicContact CD1-CG2 3.68Å; T113-E115 WeakPolarHBondContact CB-OE2 3.42Å; T113-E115 PolarHBondContact O-N 2.79Å; T113-Q116 PolarHBondContact O-N 2.89Å; T113-Q116 WeakPolarHBondContact OG1-CB 3.42Å; T113-Q116 VanDerWaalsContact OG1-CG 3.25Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.32Å; T113-Q116 PolarHBondContact OG1-N 2.93Å; T113-Q116 VanDerWaalsContact OG1-N 3.09Å; T113-Q116 PolarHBondContact OG1-OE1 3.39Å; T113-Q116 VanDerWaalsContact OG1-OE1 3.12Å; T113-I117 PolarHBondContact O-N 2.95Å; T113-I117 VanDerWaalsContact O-N 3.14Å; T113-F603 HydrophobicContact CG2-CE2 3.76Å; T113-F603 HydrophobicContact CG2-CZ 3.84Å |
| 114 | V | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | F67 F70 I101 Q116 I117 S118 | F67-V114 HydrophobicContact CD2-CG1 4.5Å; F70-V114 HydrophobicContact CB-CG1 4.36Å; F70-V114 HydrophobicContact CB-CG2 3.65Å; I101-V114 HydrophobicContact CD1-CG2 4.34Å; V114-Q116 PolarHBondContact O-N 3.49Å; V114-I117 PolarHBondContact O-N 2.95Å; V114-S118 WeakPolarHBondContact O-CB 3.4Å; V114-S118 PolarHBondContact O-N 3.41Å; V114-S118 PolarHBondContact O-OG 2.95Å |
| 115 | E | 97.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 174.5 | -64 | 78.2 | -173.8 | 0 | 0 | 111.6 | T113 G119 S155 D158 A159 I162 L595 | T113-E115 WeakPolarHBondContact CB-OE2 3.42Å; T113-E115 PolarHBondContact O-N 2.79Å; E115-G119 PolarHBondContact O-N 3.2Å; E115-S155 WeakPolarHBondContact CG-O 3.33Å; E115-S155 WeakPolarHBondContact CG-OG 3.37Å; E115-S155 WeakPolarHBondContact OE1-CB 3.03Å; E115-S155 PolarHBondContact OE1-OG 2.79Å; E115-D158 HydrophobicContact CG-CB 4.19Å; E115-A159 WeakPolarHBondContact O-CB 3.39Å; E115-I162 HydrophobicContact CB-CD1 3.92Å; E115-L595 HydrophobicContact CB-CD1 4Å; E115-L595 HydrophobicContact CG-CD1 4Å; E115-L595 HydrophobicContact CG-CG 4.47Å |
| 116 | Q | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.6 | -77.3 | 171.2 | -59.4 | 0 | 0 | 111.6 | F112 T113 V114 S118 G119 M120 I162 F603 | F112-Q116 HydrophobicContact CB-CB 4.37Å; F112-Q116 HydrophobicContact CD1-CB 4.19Å; T113-Q116 PolarHBondContact O-N 2.89Å; T113-Q116 WeakPolarHBondContact OG1-CB 3.42Å; T113-Q116 VanDerWaalsContact OG1-CG 3.25Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.32Å; T113-Q116 PolarHBondContact OG1-N 2.93Å; T113-Q116 VanDerWaalsContact OG1-N 3.09Å; T113-Q116 PolarHBondContact OG1-OE1 3.39Å; T113-Q116 VanDerWaalsContact OG1-OE1 3.12Å; V114-Q116 PolarHBondContact O-N 3.49Å; Q116-S118 VanDerWaalsContact C-N 3.33Å; Q116-S118 PolarHBondContact O-N 3.49Å; Q116-G119 CarbonylContact O-C 3.57Å; Q116-G119 WeakPolarHBondContact O-CA 3.4Å; Q116-G119 PolarHBondContact O-N 2.9Å; Q116-M120 WeakPolarHBondContact O-CG 3.46Å; Q116-M120 PolarHBondContact O-N 3.21Å; Q116-I162 HydrophobicContact CG-CD1 4.24Å; Q116-F603 HydrophobicContact CG-CB 4.23Å; Q116-F603 HydrophobicContact CG-CD1 4.27Å; Q116-F603 HydrophobicContact CG-CD2 3.79Å; Q116-F603 HydrophobicContact CG-CE2 4.15Å; Q116-F603 HydrophobicContact CG-CG 3.85Å; Q116-F603 VanDerWaalsContact NE2-CD1 3.28Å |
| 117 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.8 | -62.2 | -59.5 | 0 | 0 | 0 | 111.3 | V39 V64 F67 I101 F112 T113 V114 G119 M120 L121 | V39-I117 HydrophobicContact CB-CG2 4.29Å; V39-I117 HydrophobicContact CG2-CG2 4.09Å; V64-I117 HydrophobicContact CG1-CG2 4.19Å; F67-I117 HydrophobicContact CD1-CG2 3.77Å; F67-I117 HydrophobicContact CD2-CB 4.41Å; F67-I117 HydrophobicContact CD2-CG2 3.8Å; F67-I117 HydrophobicContact CE1-CG2 3.77Å; F67-I117 HydrophobicContact CE2-CG2 3.81Å; F67-I117 HydrophobicContact CG-CG2 3.78Å; F67-I117 HydrophobicContact CZ-CG2 3.77Å; I101-I117 HydrophobicContact CD1-CB 4.43Å; I101-I117 HydrophobicContact CD1-CG1 3.89Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 3.97Å; F112-I117 HydrophobicContact CD2-CD1 4.46Å; F112-I117 HydrophobicContact CG-CD1 4.09Å; T113-I117 PolarHBondContact O-N 2.95Å; T113-I117 VanDerWaalsContact O-N 3.14Å; V114-I117 PolarHBondContact O-N 2.95Å; I117-G119 VanDerWaalsContact C-N 3.32Å; I117-M120 HydrophobicContact CD1-CE 3.99Å; I117-M120 HydrophobicContact CD1-SD 4.01Å; I117-M120 WeakPolarHBondContact O-CB 3.33Å; I117-M120 PolarHBondContact O-N 2.95Å; I117-L121 PolarHBondContact O-N 3.25Å; I117-L121 VanDerWaalsContact O-N 3.17Å |
| 118 | S | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 173.8 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | F67 H71 V114 Q116 L121 L122 | F67-S118 VanDerWaalsContact CE2-OG 3.29Å; F67-S118 WeakPolarHBondContact CE2-OG 3.29Å; H71-S118 PolarHBondContact CE1-OG 2.81Å; H71-S118 PolarHBondContact NE2-OG 3.43Å; V114-S118 WeakPolarHBondContact O-CB 3.4Å; V114-S118 PolarHBondContact O-N 3.41Å; V114-S118 PolarHBondContact O-OG 2.95Å; Q116-S118 VanDerWaalsContact C-N 3.33Å; Q116-S118 PolarHBondContact O-N 3.49Å; S118-L121 PolarHBondContact O-N 2.88Å; S118-L122 WeakPolarHBondContact O-CB 3.49Å; S118-L122 VanDerWaalsContact O-CG 3.3Å; S118-L122 WeakPolarHBondContact O-CG 3.31Å; S118-L122 PolarHBondContact O-N 3.5Å |
| 119 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E115 Q116 I117 L121 L122 T123 | E115-G119 PolarHBondContact O-N 3.2Å; Q116-G119 CarbonylContact O-C 3.57Å; Q116-G119 WeakPolarHBondContact O-CA 3.4Å; Q116-G119 PolarHBondContact O-N 2.9Å; I117-G119 VanDerWaalsContact C-N 3.32Å; G119-L121 VanDerWaalsContact C-N 3.35Å; G119-L121 PolarHBondContact O-N 2.9Å; G119-L122 PolarHBondContact O-N 3.35Å; G119-T123 PolarHBondContact O-N 3.06Å; G119-T123 PolarHBondContact O-OG1 3.45Å; G119-T123 VanDerWaalsContact O-OG1 3.05Å |
| 120 | M | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 175.4 | -43.4 | -167.6 | 174.2 | 0 | 0 | 111.4 | V39 L41 R46 I48 F112 Q116 I117 L122 T123 K124 M610 | V39-M120 HydrophobicContact CG1-CB 4.32Å; V39-M120 HydrophobicContact CG1-SD 3.72Å; V39-M120 HydrophobicContact CG2-CB 4.23Å; L41-M120 HydrophobicContact CD2-SD 4.05Å; R46-M120 PolarHBondContact NH1-SD 3.41Å; I48-M120 HydrophobicContact CD1-CB 4.01Å; I48-M120 WeakPolarHBondContact CD1-O 3.22Å; F112-M120 HydrophobicContact CD1-CE 3.43Å; F112-M120 VanDerWaalsContact CD1-CE 3.43Å; F112-M120 HydrophobicContact CE1-CE 3.37Å; F112-M120 HydrophobicContact CG-CE 4.11Å; F112-M120 HydrophobicContact CZ-CE 4.05Å; Q116-M120 WeakPolarHBondContact O-CG 3.46Å; Q116-M120 PolarHBondContact O-N 3.21Å; I117-M120 HydrophobicContact CD1-CE 3.99Å; I117-M120 HydrophobicContact CD1-SD 4.01Å; I117-M120 WeakPolarHBondContact O-CB 3.33Å; I117-M120 PolarHBondContact O-N 2.95Å; M120-L122 VanDerWaalsContact C-N 3.35Å; M120-L122 PolarHBondContact O-N 2.93Å; M120-T123 WeakPolarHBondContact O-CB 3.33Å; M120-T123 PolarHBondContact O-N 3.01Å; M120-K124 PolarHBondContact O-N 2.68Å; M120-K124 VanDerWaalsContact O-N 3.17Å; M120-M610 HydrophobicContact CE-CE 3.81Å; M120-M610 HydrophobicContact CE-SD 3.89Å |
| 121 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 177.4 | 178.1 | 62.3 | 0 | 0 | 0 | 111.3 | V8 A37 V39 I48 F67 I117 S118 G119 T123 K124 L125 | V8-L121 HydrophobicContact CG1-CD2 4.33Å; A37-L121 HydrophobicContact CB-CD2 3.91Å; V39-L121 HydrophobicContact CG2-CB 4.39Å; I48-L121 HydrophobicContact CG2-CD1 4.09Å; F67-L121 HydrophobicContact CE2-CD2 4.5Å; F67-L121 HydrophobicContact CZ-CB 4.34Å; F67-L121 HydrophobicContact CZ-CD2 3.83Å; I117-L121 PolarHBondContact O-N 3.25Å; I117-L121 VanDerWaalsContact O-N 3.17Å; S118-L121 PolarHBondContact O-N 2.88Å; G119-L121 VanDerWaalsContact C-N 3.35Å; G119-L121 PolarHBondContact O-N 2.9Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 3.44Å; L121-K124 WeakPolarHBondContact O-CB 3.23Å; L121-K124 PolarHBondContact O-N 2.86Å; L121-L125 HydrophobicContact CG-CD1 4.29Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 3.04Å |
| 122 | L | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 178.3 | -73.7 | 168.2 | 0 | 0 | 0 | 112.6 | I6 V8 S118 G119 M120 K124 L125 K126 A159 T160 A163 L165 | I6-L122 HydrophobicContact CD1-CD2 4.31Å; I6-L122 HydrophobicContact CG2-CD2 4.43Å; V8-L122 HydrophobicContact CG2-CD2 3.97Å; S118-L122 WeakPolarHBondContact O-CB 3.49Å; S118-L122 VanDerWaalsContact O-CG 3.3Å; S118-L122 WeakPolarHBondContact O-CG 3.31Å; S118-L122 PolarHBondContact O-N 3.5Å; G119-L122 PolarHBondContact O-N 3.35Å; M120-L122 VanDerWaalsContact C-N 3.35Å; M120-L122 PolarHBondContact O-N 2.93Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 2.94Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.39Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 2.82Å; L122-A159 HydrophobicContact CD1-CB 4.02Å; L122-T160 HydrophobicContact CD1-CG2 3.91Å; L122-A163 HydrophobicContact CB-CB 3.6Å; L122-L165 HydrophobicContact CB-CD1 4.3Å |
| 123 | T | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 170.9 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | G119 M120 L121 L125 K126 E127 E607 I611 | G119-T123 PolarHBondContact O-N 3.06Å; G119-T123 PolarHBondContact O-OG1 3.45Å; G119-T123 VanDerWaalsContact O-OG1 3.05Å; M120-T123 WeakPolarHBondContact O-CB 3.33Å; M120-T123 PolarHBondContact O-N 3.01Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 3.44Å; T123-L125 PolarHBondContact O-N 3.16Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 3.46Å; T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 2.71Å; T123-E607 WeakPolarHBondContact CB-OE1 3.45Å; T123-E607 PolarHBondContact OG1-OE1 3.34Å; T123-I611 HydrophobicContact CG2-CD1 3.53Å; T123-I611 HydrophobicContact CG2-CG1 3.74Å |
| 124 | K | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 14% | 0.135 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.3 | -179.4 | 56.9 | 176 | 175.1 | 0 | 112.9 | E29 I48 M120 L121 L122 K126 E127 T128 | E29-K124 WeakPolarHBondContact OE1-CE 3.48Å; E29-K124 IonicContact OE1-NZ 3.96Å; E29-K124 PolarHBondContact OE1-NZ 2.88Å; E29-K124 WeakPolarHBondContact OE2-CE 3.47Å; E29-K124 IonicContact OE2-NZ 2.84Å; E29-K124 PolarHBondContact OE2-NZ 2.71Å; I48-K124 HydrophobicContact CB-CB 3.94Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.33Å; I48-K124 HydrophobicContact CG2-CB 3.47Å; I48-K124 VanDerWaalsContact CG2-CB 3.47Å; I48-K124 HydrophobicContact CG2-CG 3.81Å; M120-K124 PolarHBondContact O-N 2.68Å; M120-K124 VanDerWaalsContact O-N 3.17Å; L121-K124 WeakPolarHBondContact O-CB 3.23Å; L121-K124 PolarHBondContact O-N 2.86Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 2.94Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-E127 PolarHBondContact O-N 3.22Å; K124-T128 WeakPolarHBondContact O-CB 3.47Å; K124-T128 PolarHBondContact O-N 3.16Å; K124-T128 PolarHBondContact O-OG1 3.35Å |
| 125 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -35.1 | 177.2 | -61.4 | 174.7 | 0 | 0 | 0 | 111.6 | I6 C13 I15 T35 L121 L122 T123 S129 | I6-L125 HydrophobicContact CG2-CD1 3.62Å; C13-L125 HydrophobicContact CB-CD1 3.76Å; C13-L125 HydrophobicContact CB-CD2 3.86Å; C13-L125 HydrophobicContact CB-CG 4.48Å; I15-L125 HydrophobicContact CD1-CB 3.93Å; I15-L125 HydrophobicContact CD1-CD2 3.78Å; I15-L125 HydrophobicContact CD1-CG 4.45Å; I15-L125 VanDerWaalsContact CD1-O 3.3Å; I15-L125 WeakPolarHBondContact CD1-O 3.25Å; I15-L125 HydrophobicContact CG1-CB 4.31Å; I15-L125 HydrophobicContact CG1-CD2 4.12Å; T35-L125 HydrophobicContact CG2-CD2 4Å; L121-L125 HydrophobicContact CG-CD1 4.29Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 3.04Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.39Å; T123-L125 PolarHBondContact O-N 3.16Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 2.94Å; L125-S129 PolarHBondContact O-OG 2.87Å |
| 126 | K | 97.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -52.2 | 170.5 | 174.1 | -177.1 | 171.7 | 170.8 | 0 | 111.2 | L122 T123 K124 T128 S129 E130 V137 G164 L165 | L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 2.82Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 3.46Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 2.82Å; K126-S129 CarbonylContact O-C 3.58Å; K126-S129 WeakPolarHBondContact O-CA 3.49Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.18Å; K126-E130 VanDerWaalsContact CE-OE1 3.26Å; K126-E130 WeakPolarHBondContact CE-OE1 3.29Å; K126-E130 HydrophobicContact CG-CG 4.37Å; K126-E130 WeakPolarHBondContact O-CG 3.18Å; K126-E130 PolarHBondContact O-N 3.13Å; K126-V137 WeakPolarHBondContact CE-O 3.4Å; K126-V137 HydrophobicContact CG-CB 4.3Å; K126-G164 PolarHBondContact NZ-O 3.1Å; K126-L165 HydrophobicContact CB-CD1 4.39Å; K126-L165 HydrophobicContact CB-CD2 4.17Å; K126-L165 HydrophobicContact CD-CD2 3.83Å; K126-L165 HydrophobicContact CD-CG 4.19Å; K126-L165 HydrophobicContact CG-CD2 4Å |
| 127 | E | 96.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 177.7 | -72.4 | 171.9 | 179.7 | 0 | 0 | 112.4 | T123 K124 E130 S131 | T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 2.71Å; K124-E127 PolarHBondContact O-N 3.22Å; E127-E130 PolarHBondContact O-N 3.23Å; E127-S131 VanDerWaalsContact O-CB 3.3Å; E127-S131 WeakPolarHBondContact O-CB 3.44Å; E127-S131 PolarHBondContact O-N 3.44Å; E127-S131 PolarHBondContact O-OG 2.71Å |
| 128 | T | 97.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | I15 V26 N28 K124 K126 S131 A132 | I15-T128 HydrophobicContact CD1-CG2 3.76Å; V26-T128 HydrophobicContact CG1-CG2 4.15Å; N28-T128 HydrophobicContact CB-CG2 4.09Å; K124-T128 WeakPolarHBondContact O-CB 3.47Å; K124-T128 PolarHBondContact O-N 3.16Å; K124-T128 PolarHBondContact O-OG1 3.35Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 2.82Å; T128-S131 PolarHBondContact O-N 3.19Å; T128-A132 PolarHBondContact O-N 3.39Å; T128-A132 VanDerWaalsContact O-N 3.08Å |
| 129 | S | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 177.2 | -55 | 0 | 0 | 0 | 0 | 112 | V4 I15 L125 K126 A132 L133 | V4-S129 WeakPolarHBondContact CG1-OG 3.34Å; I15-S129 VanDerWaalsContact CG2-OG 3.28Å; I15-S129 WeakPolarHBondContact CG2-OG 3.46Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 2.94Å; L125-S129 PolarHBondContact O-OG 2.87Å; K126-S129 CarbonylContact O-C 3.58Å; K126-S129 WeakPolarHBondContact O-CA 3.49Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.18Å; S129-A132 PolarHBondContact O-N 3.29Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.36Å; S129-L133 PolarHBondContact O-N 3.01Å |
| 130 | E | 96.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.2 | -70.7 | 179.7 | 154.6 | 0 | 0 | 111.5 | K126 E127 A132 L133 K134 K135 V137 | K126-E130 VanDerWaalsContact CE-OE1 3.26Å; K126-E130 WeakPolarHBondContact CE-OE1 3.29Å; K126-E130 HydrophobicContact CG-CG 4.37Å; K126-E130 WeakPolarHBondContact O-CG 3.18Å; K126-E130 PolarHBondContact O-N 3.13Å; E127-E130 PolarHBondContact O-N 3.23Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 3.09Å; E130-L133 PolarHBondContact O-N 3.07Å; E130-K134 VanDerWaalsContact O-CA 3.3Å; E130-K134 WeakPolarHBondContact O-CA 3.29Å; E130-K134 PolarHBondContact O-N 3.46Å; E130-K135 WeakPolarHBondContact CA-O 3.17Å; E130-V137 HydrophobicContact CG-CB 3.75Å; E130-V137 HydrophobicContact CG-CG2 3.63Å; E130-V137 PolarHBondContact OE1-N 3.37Å |
| 131 | S | 95.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | E127 T128 K134 | E127-S131 VanDerWaalsContact O-CB 3.3Å; E127-S131 WeakPolarHBondContact O-CB 3.44Å; E127-S131 PolarHBondContact O-N 3.44Å; E127-S131 PolarHBondContact O-OG 2.71Å; T128-S131 PolarHBondContact O-N 3.19Å; S131-K134 VanDerWaalsContact O-CD 3.27Å; S131-K134 WeakPolarHBondContact O-CD 3.46Å; S131-K134 WeakPolarHBondContact O-CE 3.38Å; S131-K134 PolarHBondContact O-NZ 2.83Å |
| 132 | A | 93.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.5 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R19 V26 T128 S129 E130 | R19-A132 VanDerWaalsContact CZ-O 3.3Å; R19-A132 PolarHBondContact NH1-O 3.43Å; R19-A132 PolarHBondContact NH2-O 3.39Å; V26-A132 HydrophobicContact CB-CB 4.34Å; V26-A132 HydrophobicContact CG1-CB 3.33Å; V26-A132 HydrophobicContact CG2-CB 4.01Å; T128-A132 PolarHBondContact O-N 3.39Å; T128-A132 VanDerWaalsContact O-N 3.08Å; S129-A132 PolarHBondContact O-N 3.29Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 3.09Å |
| 133 | L | 93.2 | Very high | 96 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -82.4 | -15.9 | -178.4 | -70.3 | 175 | 0 | 0 | 0 | 113.6 | V4 V17 S129 E130 K135 V137 | V4-L133 HydrophobicContact CG2-CD1 4Å; V17-L133 HydrophobicContact CB-CD1 4.32Å; V17-L133 HydrophobicContact CB-CD2 4.01Å; V17-L133 HydrophobicContact CB-CG 4.33Å; V17-L133 HydrophobicContact CG1-CD1 4.1Å; V17-L133 HydrophobicContact CG1-CD2 4.47Å; V17-L133 HydrophobicContact CG1-CG 4.24Å; V17-L133 HydrophobicContact CG2-CD2 3.94Å; V17-L133 HydrophobicContact CG2-CG 4.49Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.36Å; S129-L133 PolarHBondContact O-N 3.01Å; E130-L133 PolarHBondContact O-N 3.07Å; L133-K135 HydrophobicContact CB-CB 4.48Å; L133-K135 PolarHBondContact O-N 2.96Å; L133-V137 HydrophobicContact CD1-CG2 4.07Å |
| 134 | K | 93.8 | Very high | 96 | Very high | 175 Ų | 175 | 40.3 Ų | 40.3 | 76% | 0.761 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 32.6 | -171 | -53.9 | -60.5 | -178 | -161.5 | 0 | 112.3 | E130 S131 | E130-K134 VanDerWaalsContact O-CA 3.3Å; E130-K134 WeakPolarHBondContact O-CA 3.29Å; E130-K134 PolarHBondContact O-N 3.46Å; S131-K134 VanDerWaalsContact O-CD 3.27Å; S131-K134 WeakPolarHBondContact O-CD 3.46Å; S131-K134 WeakPolarHBondContact O-CE 3.38Å; S131-K134 PolarHBondContact O-NZ 2.83Å |
| 135 | K | 92.6 | Very high | 95.9 | Very high | 142 Ų | 142 | 38.9 Ų | 38.9 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -148.7 | 151.4 | -176.7 | -67 | 179.4 | -174.8 | 176.8 | 0 | 109.8 | E130 L133 | E130-K135 WeakPolarHBondContact CA-O 3.17Å; L133-K135 HydrophobicContact CB-CB 4.48Å; L133-K135 PolarHBondContact O-N 2.96Å |
| 136 | P | 94.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | trans | -58.6 | 146 | 173.8 | -23.4 | 33.8 | 0 | 0 | 0 | 112.7 | S2 | S2-P136 PolarHBondContact OG-O 3.13Š| ||
| 137 | V | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -116.7 | 121 | 177 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | V4 K126 E130 L133 L165 | V4-V137 HydrophobicContact CB-CG1 4.18Å; V4-V137 HydrophobicContact CG2-CB 4.43Å; V4-V137 HydrophobicContact CG2-CG1 3.61Å; V4-V137 HydrophobicContact CG2-CG2 3.87Å; K126-V137 WeakPolarHBondContact CE-O 3.4Å; K126-V137 HydrophobicContact CG-CB 4.3Å; E130-V137 HydrophobicContact CG-CB 3.75Å; E130-V137 HydrophobicContact CG-CG2 3.63Å; E130-V137 PolarHBondContact OE1-N 3.37Å; L133-V137 HydrophobicContact CD1-CG2 4.07Å; V137-L165 HydrophobicContact CG1-CD2 4Å | ||
| 138 | V | 92.7 | Very high | 95.4 | Very high | 81 Ų | 81 | 34 Ų | 34 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | trans | -118.9 | -53.4 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | L165 N166 | V138-L165 CarbonylContact O-C 3.56Å; V138-L165 WeakPolarHBondContact O-CA 3.46Å; V138-N166 HydrophobicContact CG1-CB 4.31Å; V138-N166 PolarHBondContact O-N 3.21Å | ||
| 139 | D | 95.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.9 | -177.2 | -57.2 | -55.3 | 0 | 0 | 0 | 111.9 | M1 N166 L168 | M1-D139 WeakPolarHBondContact CE-OD2 3.31Å; M1-D139 HydrophobicContact CG-CB 4.48Å; M1-D139 VanDerWaalsContact CG-OD2 3.32Å; M1-D139 WeakPolarHBondContact CG-OD2 3.47Å; D139-N166 WeakPolarHBondContact CA-O 3.45Å; D139-N166 WeakPolarHBondContact OD1-CB 3.28Å; D139-N166 PolarHBondContact OD1-ND2 3.46Å; D139-L168 HydrophobicContact CB-CD1 3.9Å; D139-L168 HydrophobicContact CB-CD2 4.3Å; D139-L168 HydrophobicContact CB-CG 4Å |
| 140 | C | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 165.6 | 174.3 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | V4 I6 N166 C167 L168 | V4-C140 HydrophobicContact CB-CB 4.35Å; V4-C140 VanDerWaalsContact O-CA 3.29Å; V4-C140 WeakPolarHBondContact O-CA 3.48Å; I6-C140 HydrophobicContact CD1-CB 4.22Å; C140-N166 PolarHBondContact N-O 2.96Å; C140-C167 CarbonylContact O-C 3.56Å; C140-C167 WeakPolarHBondContact O-CA 3.26Å; C140-L168 PolarHBondContact O-N 3.01Å |
| 141 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.5 | 164.8 | 168 | 0 | 0 | 0 | 0 | 108.1 | V4 I6 L168 R169 I171 C376 Q379 C380 L383 | V4-V141 PolarHBondContact O-N 3.17Å; I6-V141 PolarHBondContact N-O 3.12Å; V141-L168 HydrophobicContact CG2-CB 4.28Å; V141-R169 WeakPolarHBondContact CA-O 3.48Å; V141-R169 WeakPolarHBondContact CG1-O 3.44Å; V141-R169 HydrophobicContact CG2-CB 4.17Å; V141-I171 HydrophobicContact CG1-CB 4.23Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; V141-C376 HydrophobicContact CB-CB 4.28Å; V141-C376 WeakPolarHBondContact CB-O 3.4Å; V141-C376 HydrophobicContact CG1-CB 3.88Å; V141-Q379 HydrophobicContact CG1-CB 4.16Å; V141-Q379 HydrophobicContact CG1-CG 4.14Å; V141-Q379 HydrophobicContact CG2-CB 4.38Å; V141-Q379 HydrophobicContact CG2-CG 4.13Å; V141-C380 HydrophobicContact CB-CB 4.07Å; V141-C380 HydrophobicContact CG2-CB 3.64Å; V141-L383 HydrophobicContact CG2-CD1 4.34Å |
| 142 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.5 | -175.7 | -179 | 0 | 0 | 0 | 0 | 110.1 | I6 V8 V156 T160 R169 L170 I171 | I6-V142 HydrophobicContact CB-CG2 4.41Å; I6-V142 WeakPolarHBondContact O-CA 3.46Å; V8-V142 HydrophobicContact CG2-CG1 3.72Å; V142-V156 HydrophobicContact CG1-CG1 4.23Å; V142-T160 HydrophobicContact CG2-CG2 3.93Å; V142-R169 PolarHBondContact N-O 3.26Å; V142-L170 HydrophobicContact CB-CD2 3.91Å; V142-L170 HydrophobicContact CG1-CD2 4.35Å; V142-L170 WeakPolarHBondContact O-CA 3.4Å; V142-I171 PolarHBondContact O-N 3.27Å |
| 143 | S | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.4 | 175.1 | 74.2 | 0 | 0 | 0 | 0 | 112 | I6 D7 V8 I171 D173 V372 | I6-S143 PolarHBondContact O-N 3.4Å; D7-S143 VanDerWaalsContact CA-OG 3.26Å; D7-S143 WeakPolarHBondContact CA-OG 3.4Å; D7-S143 PolarHBondContact OD1-OG 3.13Å; V8-S143 PolarHBondContact N-OG 3.03Å; S143-I171 CarbonylContact C-O 3.46Å; S143-I171 WeakPolarHBondContact CA-O 3.48Å; S143-D173 VanDerWaalsContact CB-OD1 3.26Å; S143-D173 WeakPolarHBondContact CB-OD1 3.39Å; S143-D173 PolarHBondContact OG-OD1 3.35Å; S143-V372 VanDerWaalsContact CB-CG1 3.49Å |
| 144 | V | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.8 | 169.1 | -67 | 0 | 0 | 0 | 0 | 110.4 | F148 V156 L170 I171 N172 D173 | V144-F148 HydrophobicContact CB-CB 4.48Å; V144-F148 HydrophobicContact CB-CD2 3.97Å; V144-F148 HydrophobicContact CB-CG 4.37Å; V144-F148 HydrophobicContact CG1-CD2 4.09Å; V144-V156 HydrophobicContact CG1-CB 4.43Å; V144-V156 HydrophobicContact CG1-CG1 4.13Å; V144-V156 HydrophobicContact CG1-CG2 4.25Å; V144-L170 HydrophobicContact CG1-CD1 4.39Å; V144-L170 HydrophobicContact CG1-CD2 4.15Å; V144-L170 HydrophobicContact CG2-CB 4.26Å; V144-I171 PolarHBondContact N-O 2.79Å; V144-N172 CarbonylContact O-C 3.53Å; V144-N172 VanDerWaalsContact O-CA 3.23Å; V144-N172 WeakPolarHBondContact O-CA 3.23Å; V144-D173 PolarHBondContact N-OD1 2.92Å; V144-D173 PolarHBondContact O-N 3.07Å; V144-D173 VanDerWaalsContact O-OD1 3.1Å |
| 145 | P | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -58 | 143.9 | 172.4 | -23.6 | 34.6 | 0 | 0 | 0 | 111.5 | F10 F147 F148 R153 D173 | F10-P145 HydrophobicContact CE2-CG 4.22Å; P145-F147 HydrophobicContact CB-CD1 3.83Å; P145-F147 HydrophobicContact CB-CD2 4.27Å; P145-F147 HydrophobicContact CB-CE1 3.43Å; P145-F147 VanDerWaalsContact CB-CE1 3.43Å; P145-F147 HydrophobicContact CB-CE2 3.9Å; P145-F147 HydrophobicContact CB-CG 4.23Å; P145-F147 HydrophobicContact CB-CZ 3.47Å; P145-F147 VanDerWaalsContact CB-CZ 3.47Å; P145-F147 HydrophobicContact CG-CE1 4.38Å; P145-F147 HydrophobicContact CG-CE2 4.45Å; P145-F147 HydrophobicContact CG-CZ 4.02Å; P145-F147 PolarHBondContact O-N 3.24Å; P145-F147 VanDerWaalsContact O-N 3.16Å; P145-F148 HydrophobicContact CB-CD1 3.78Å; P145-F148 HydrophobicContact CB-CE1 4.14Å; P145-F148 HydrophobicContact CB-CG 4.45Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.57Å; P145-F148 HydrophobicContact CG-CG 4.38Å; P145-F148 HydrophobicContact CG-CZ 4.15Å; P145-F148 WeakPolarHBondContact O-CB 3.41Å; P145-F148 PolarHBondContact O-N 2.9Å; P145-R153 PolarHBondContact O-NH2 3.47Å; P145-D173 VanDerWaalsContact CA-OD2 3.27Å; P145-D173 WeakPolarHBondContact CA-OD2 3.2Å | ||
| 146 | S | 94.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.3 | -179.4 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | F148 R153 Q209 T225 P399 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-R153 PolarHBondContact O-NH2 3.1Å; S146-Q209 PolarHBondContact OG-OE1 3.28Å; S146-T225 PolarHBondContact OG-OG1 2.81Å; S146-P399 WeakPolarHBondContact O-CG 3.31Å |
| 147 | F | 93.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 9.9 Ų | 9.9 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.8 | 177.9 | 60.4 | -98.5 | 0 | 0 | 0 | 114.7 | P145 T149 Q209 F227 P229 F400 | P145-F147 HydrophobicContact CB-CD1 3.83Å; P145-F147 HydrophobicContact CB-CD2 4.27Å; P145-F147 HydrophobicContact CB-CE1 3.43Å; P145-F147 VanDerWaalsContact CB-CE1 3.43Å; P145-F147 HydrophobicContact CB-CE2 3.9Å; P145-F147 HydrophobicContact CB-CG 4.23Å; P145-F147 HydrophobicContact CB-CZ 3.47Å; P145-F147 VanDerWaalsContact CB-CZ 3.47Å; P145-F147 HydrophobicContact CG-CE1 4.38Å; P145-F147 HydrophobicContact CG-CE2 4.45Å; P145-F147 HydrophobicContact CG-CZ 4.02Å; P145-F147 PolarHBondContact O-N 3.24Å; P145-F147 VanDerWaalsContact O-N 3.16Å; F147-T149 PolarHBondContact O-N 2.96Å; F147-Q209 HydrophobicContact CD1-CG 4.31Å; F147-Q209 HydrophobicContact CE1-CG 4.1Å; F147-F227 HydrophobicContact CB-CD1 3.71Å; F147-F227 HydrophobicContact CB-CD2 3.48Å; F147-F227 VanDerWaalsContact CB-CD2 3.48Å; F147-F227 HydrophobicContact CB-CE1 3.62Å; F147-F227 HydrophobicContact CB-CE2 3.37Å; F147-F227 HydrophobicContact CB-CG 3.65Å; F147-F227 HydrophobicContact CB-CZ 3.45Å; F147-F227 VanDerWaalsContact CB-CZ 3.45Å; F147-F227 HydrophobicContact CD1-CB 3.87Å; F147-F227 HydrophobicContact CD1-CD1 4.37Å; F147-F227 HydrophobicContact CD1-CD2 4.07Å; F147-F227 AromaticContact CD1-CG 3.84Å; F147-F227 HydrophobicContact CD1-CG 3.84Å; F147-F227 HydrophobicContact CG-CD2 4.02Å; F147-F227 HydrophobicContact CG-CE2 4.32Å; F147-F227 HydrophobicContact CG-CG 4.14Å; F147-P229 HydrophobicContact CD1-CB 4.36Å; F147-P229 HydrophobicContact CD2-CB 3.84Å; F147-P229 HydrophobicContact CE1-CB 4.16Å; F147-P229 HydrophobicContact CE2-CB 3.61Å; F147-P229 HydrophobicContact CG-CB 4.21Å; F147-P229 HydrophobicContact CZ-CB 3.78Å; F147-F400 HydrophobicContact CB-CZ 4.12Å; F147-F400 WeakPolarHBondContact O-CE2 3.4Å; F147-F400 WeakPolarHBondContact O-CZ 3.46Å |
| 148 | F | 94.6 | Very high | 96 | Very high | 4 Ų | 4 | 9.9 Ų | 9.9 | 2% | 0.018 | 5% | 0.054 | C | C | . | . | trans | -63.3 | 130.6 | 173.7 | -92.6 | 26.3 | 0 | 0 | 0 | 110.1 | K68 V144 P145 S146 E152 R153 V156 | K68-F148 HydrophobicContact CG-CZ 4.21Å; V144-F148 HydrophobicContact CB-CB 4.48Å; V144-F148 HydrophobicContact CB-CD2 3.97Å; V144-F148 HydrophobicContact CB-CG 4.37Å; V144-F148 HydrophobicContact CG1-CD2 4.09Å; P145-F148 HydrophobicContact CB-CD1 3.78Å; P145-F148 HydrophobicContact CB-CE1 4.14Å; P145-F148 HydrophobicContact CB-CG 4.45Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.57Å; P145-F148 HydrophobicContact CG-CG 4.38Å; P145-F148 HydrophobicContact CG-CZ 4.15Å; P145-F148 WeakPolarHBondContact O-CB 3.41Å; P145-F148 PolarHBondContact O-N 2.9Å; S146-F148 VanDerWaalsContact C-N 3.34Å; F148-E152 VanDerWaalsContact CA-OE2 3.32Å; F148-E152 WeakPolarHBondContact CA-OE2 3.27Å; F148-E152 HydrophobicContact CB-CB 4.08Å; F148-E152 HydrophobicContact CD1-CB 4.42Å; F148-E152 HydrophobicContact CD2-CB 3.73Å; F148-E152 HydrophobicContact CE2-CB 4.18Å; F148-E152 HydrophobicContact CG-CB 3.85Å; F148-R153 HydrophobicContact CB-CG 4.06Å; F148-R153 PolarHBondContact O-NE 2.95Å; F148-R153 PolarHBondContact O-NH2 2.84Å; F148-V156 HydrophobicContact CD2-CG2 4.37Å; F148-V156 HydrophobicContact CE2-CG2 3.95Å | ||
| 149 | T | 93.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.012 | 3% | 0.031 | C | C | . | . | trans | -83.8 | 174.8 | 179.3 | 62 | 0 | 0 | 0 | 0 | 112.6 | F147 A151 E152 R153 F400 Y446 L452 Y454 | F147-T149 PolarHBondContact O-N 2.96Å; T149-A151 VanDerWaalsContact C-N 3.32Å; T149-A151 PolarHBondContact O-N 2.82Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.13Å; T149-E152 PolarHBondContact OG1-OE2 2.83Å; T149-R153 WeakPolarHBondContact O-CB 3.47Å; T149-R153 VanDerWaalsContact O-CG 3.24Å; T149-R153 WeakPolarHBondContact O-CG 3.47Å; T149-R153 PolarHBondContact O-N 2.92Å; T149-F400 HydrophobicContact CG2-CD2 3.99Å; T149-F400 HydrophobicContact CG2-CE2 3.61Å; T149-F400 HydrophobicContact CG2-CZ 4.38Å; T149-Y446 WeakPolarHBondContact CB-OH 3.33Å; T149-Y446 HydrophobicContact CG2-CE2 4.26Å; T149-L452 HydrophobicContact CG2-CD2 4.41Å; T149-Y454 WeakPolarHBondContact CB-OH 3.35Å; T149-Y454 HydrophobicContact CG2-CD1 4.44Å; T149-Y454 HydrophobicContact CG2-CE1 3.25Å; T149-Y454 WeakPolarHBondContact CG2-OH 3.46Å; T149-Y454 VanDerWaalsContact OG1-CE1 3.26Å; T149-Y454 WeakPolarHBondContact OG1-CE1 3.34Å; T149-Y454 VanDerWaalsContact OG1-CZ 3.28Å; T149-Y454 PolarHBondContact OG1-OH 3.17Å | ||
| 150 | D | 94.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -50.7 | -48 | 176.1 | -162 | -90.7 | 0 | 0 | 0 | 112.8 | R153 R154 Y446 I459 I489 L490 | D150-R153 PolarHBondContact O-N 2.82Å; D150-R154 WeakPolarHBondContact O-CG 3.34Å; D150-R154 PolarHBondContact O-N 3.01Å; D150-R154 IonicContact OD1-CZ 3.9Å; D150-R154 IonicContact OD1-NE 2.75Å; D150-R154 PolarHBondContact OD1-NE 2.83Å; D150-R154 IonicContact OD1-NH2 2.86Å; D150-Y446 WeakPolarHBondContact CB-OH 3.5Å; D150-Y446 PolarHBondContact N-OH 3.16Å; D150-I459 HydrophobicContact CB-CG1 4.48Å; D150-I459 HydrophobicContact CB-CG2 3.85Å; D150-I489 VanDerWaalsContact OD2-CA 3.27Å; D150-I489 WeakPolarHBondContact OD2-CA 3.04Å; D150-I489 VanDerWaalsContact OD2-CG2 3.29Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.35Å; D150-L490 PolarHBondContact OD2-N 2.86Å |
| 151 | A | 93.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 7% | 0.074 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T149 R153 R154 S155 | T149-A151 VanDerWaalsContact C-N 3.32Å; T149-A151 PolarHBondContact O-N 2.82Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-R153 PolarHBondContact O-N 2.94Å; A151-R154 PolarHBondContact O-N 2.83Å; A151-S155 VanDerWaalsContact O-CB 3.32Å; A151-S155 WeakPolarHBondContact O-CB 3.2Å; A151-S155 PolarHBondContact O-N 2.62Å |
| 152 | E | 95 | Very high | 96.5 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 2% | 0.023 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.1 | -75.8 | 167.9 | 149.2 | 0 | 0 | 111.2 | H71 R73 F148 T149 S155 V156 | H71-E152 VanDerWaalsContact O-CG 3.24Å; H71-E152 WeakPolarHBondContact O-CG 3.35Å; R73-E152 IonicContact CZ-OE1 2.67Å; R73-E152 IonicContact NE-OE1 2.68Å; R73-E152 IonicContact NH2-OE1 3.04Å; R73-E152 PolarHBondContact NH2-OE1 2.83Å; F148-E152 VanDerWaalsContact CA-OE2 3.32Å; F148-E152 WeakPolarHBondContact CA-OE2 3.27Å; F148-E152 HydrophobicContact CB-CB 4.08Å; F148-E152 HydrophobicContact CD1-CB 4.42Å; F148-E152 HydrophobicContact CD2-CB 3.73Å; F148-E152 HydrophobicContact CE2-CB 4.18Å; F148-E152 HydrophobicContact CG-CB 3.85Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.13Å; T149-E152 PolarHBondContact OG1-OE2 2.83Å; E152-S155 WeakPolarHBondContact O-CB 3.46Å; E152-S155 PolarHBondContact O-N 3.28Å; E152-V156 WeakPolarHBondContact O-CG2 3.35Å; E152-V156 PolarHBondContact O-N 3.08Å; E152-V156 VanDerWaalsContact O-N 3.11Å |
| 153 | R | 96.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 10.1 Ų | 10.1 | 4% | 0.038 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.2 | -71.3 | 170.6 | -175.7 | -84.1 | -11.4 | 112.5 | P145 S146 F148 T149 D150 A151 V156 L157 L170 N172 H487 I489 | P145-R153 PolarHBondContact O-NH2 3.47Å; S146-R153 PolarHBondContact O-NH2 3.1Å; F148-R153 HydrophobicContact CB-CG 4.06Å; F148-R153 PolarHBondContact O-NE 2.95Å; F148-R153 PolarHBondContact O-NH2 2.84Å; T149-R153 WeakPolarHBondContact O-CB 3.47Å; T149-R153 VanDerWaalsContact O-CG 3.24Å; T149-R153 WeakPolarHBondContact O-CG 3.47Å; T149-R153 PolarHBondContact O-N 2.92Å; D150-R153 PolarHBondContact O-N 2.82Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-R153 PolarHBondContact O-N 2.94Å; R153-V156 PolarHBondContact O-N 3.32Å; R153-L157 PolarHBondContact O-N 2.86Å; R153-L170 HydrophobicContact CB-CD1 3.93Å; R153-L170 HydrophobicContact CG-CD1 4.32Å; R153-L170 WeakPolarHBondContact O-CD1 3.44Å; R153-N172 PolarHBondContact NH1-OD1 2.9Å; R153-N172 PolarHBondContact NH2-OD1 3.32Å; R153-H487 WeakPolarHBondContact CD-O 3.41Å; R153-H487 PolarHBondContact NH1-O 2.8Å; R153-I489 HydrophobicContact CB-CD1 3.98Å; R153-I489 HydrophobicContact CB-CG1 3.85Å |
| 154 | R | 96.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 11.6 Ų | 11.6 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.8 | -74.7 | 176.7 | -172.4 | -87.7 | -2.6 | 111.4 | D150 A151 V156 L157 D158 I489 L490 N591 Q594 | D150-R154 WeakPolarHBondContact O-CG 3.34Å; D150-R154 PolarHBondContact O-N 3.01Å; D150-R154 IonicContact OD1-CZ 3.9Å; D150-R154 IonicContact OD1-NE 2.75Å; D150-R154 PolarHBondContact OD1-NE 2.83Å; D150-R154 IonicContact OD1-NH2 2.86Å; A151-R154 PolarHBondContact O-N 2.83Å; R154-V156 VanDerWaalsContact C-N 3.29Å; R154-V156 PolarHBondContact O-N 2.98Å; R154-L157 WeakPolarHBondContact O-CA 3.48Å; R154-L157 WeakPolarHBondContact O-CB 3.22Å; R154-L157 PolarHBondContact O-N 3.42Å; R154-D158 PolarHBondContact O-N 3.48Å; R154-I489 HydrophobicContact CG-CD1 3.93Å; R154-I489 HydrophobicContact CG-CG2 4.46Å; R154-L490 PolarHBondContact NH2-O 2.67Å; R154-N591 PolarHBondContact NH1-ND2 2.95Å; R154-N591 VanDerWaalsContact NH1-ND2 3.15Å; R154-N591 PolarHBondContact NH2-OD1 3.04Å; R154-Q594 HydrophobicContact CB-CG 4.35Å |
| 155 | S | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.5 | -39.9 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | H71 G72 E115 A151 E152 A159 | H71-S155 PolarHBondContact ND1-OG 3.45Å; G72-S155 PolarHBondContact N-OG 2.9Å; E115-S155 WeakPolarHBondContact CG-O 3.33Å; E115-S155 WeakPolarHBondContact CG-OG 3.37Å; E115-S155 WeakPolarHBondContact OE1-CB 3.03Å; E115-S155 PolarHBondContact OE1-OG 2.79Å; A151-S155 VanDerWaalsContact O-CB 3.32Å; A151-S155 WeakPolarHBondContact O-CB 3.2Å; A151-S155 PolarHBondContact O-N 2.62Å; E152-S155 WeakPolarHBondContact O-CB 3.46Å; E152-S155 PolarHBondContact O-N 3.28Å; S155-A159 PolarHBondContact O-N 3.3Å; S155-A159 VanDerWaalsContact O-N 3.08Å |
| 156 | V | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 7% | 0.067 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -40.9 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | V142 V144 F148 E152 R153 R154 D158 A159 T160 L170 | V142-V156 HydrophobicContact CG1-CG1 4.23Å; V144-V156 HydrophobicContact CG1-CB 4.43Å; V144-V156 HydrophobicContact CG1-CG1 4.13Å; V144-V156 HydrophobicContact CG1-CG2 4.25Å; F148-V156 HydrophobicContact CD2-CG2 4.37Å; F148-V156 HydrophobicContact CE2-CG2 3.95Å; E152-V156 WeakPolarHBondContact O-CG2 3.35Å; E152-V156 PolarHBondContact O-N 3.08Å; E152-V156 VanDerWaalsContact O-N 3.11Å; R153-V156 PolarHBondContact O-N 3.32Å; R154-V156 VanDerWaalsContact C-N 3.29Å; R154-V156 PolarHBondContact O-N 2.98Å; V156-D158 VanDerWaalsContact C-N 3.34Å; V156-D158 PolarHBondContact O-N 3.2Å; V156-A159 WeakPolarHBondContact O-CB 3.37Å; V156-A159 PolarHBondContact O-N 3.39Å; V156-T160 WeakPolarHBondContact O-CG2 3.17Å; V156-T160 PolarHBondContact O-N 3.49Å; V156-L170 HydrophobicContact CG1-CD2 3.86Å |
| 157 | L | 97.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 16.2 Ų | 16.2 | 15% | 0.147 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.3 | -74.1 | 178.2 | 0 | 0 | 0 | 112.2 | R153 R154 A159 T160 Q161 C167 L170 I489 | R153-L157 PolarHBondContact O-N 2.86Å; R154-L157 WeakPolarHBondContact O-CA 3.48Å; R154-L157 WeakPolarHBondContact O-CB 3.22Å; R154-L157 PolarHBondContact O-N 3.42Å; L157-A159 VanDerWaalsContact C-N 3.3Å; L157-A159 PolarHBondContact O-N 3.23Å; L157-T160 PolarHBondContact O-N 3.42Å; L157-T160 VanDerWaalsContact O-N 3.15Å; L157-T160 PolarHBondContact O-OG1 3.14Å; L157-Q161 PolarHBondContact O-N 3.36Å; L157-Q161 VanDerWaalsContact O-N 3.07Å; L157-C167 HydrophobicContact CD2-CB 3.84Å; L157-L170 HydrophobicContact CD1-CD1 4.45Å; L157-L170 HydrophobicContact CD2-CD1 3.95Å; L157-L170 HydrophobicContact CD2-CD2 4.19Å; L157-L170 HydrophobicContact CD2-CG 3.79Å; L157-L170 HydrophobicContact CG-CD1 3.76Å; L157-L170 HydrophobicContact CG-CG 4.2Å; L157-I489 HydrophobicContact CD1-CD1 3.41Å; L157-I489 VanDerWaalsContact CD1-CD1 3.41Å; L157-I489 HydrophobicContact CG-CD1 4.43Å |
| 158 | D | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.3 | -66.6 | -13.9 | 0 | 0 | 0 | 110 | E115 R154 V156 T160 Q161 I162 L595 L600 | E115-D158 HydrophobicContact CG-CB 4.19Å; R154-D158 PolarHBondContact O-N 3.48Å; V156-D158 VanDerWaalsContact C-N 3.34Å; V156-D158 PolarHBondContact O-N 3.2Å; D158-T160 VanDerWaalsContact C-N 3.34Å; D158-T160 PolarHBondContact O-N 3.37Å; D158-Q161 WeakPolarHBondContact O-CB 3.28Å; D158-Q161 PolarHBondContact O-N 3.27Å; D158-Q161 VanDerWaalsContact O-N 3.16Å; D158-I162 WeakPolarHBondContact O-CG1 3.21Å; D158-I162 PolarHBondContact O-N 2.91Å; D158-L595 HydrophobicContact CB-CD1 4.19Å; D158-L595 PolarHBondContact OD2-N 3.09Å; D158-L600 HydrophobicContact CB-CD1 4.06Å |
| 159 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E115 L122 S155 V156 L157 Q161 I162 A163 | E115-A159 WeakPolarHBondContact O-CB 3.39Å; L122-A159 HydrophobicContact CD1-CB 4.02Å; S155-A159 PolarHBondContact O-N 3.3Å; S155-A159 VanDerWaalsContact O-N 3.08Å; V156-A159 WeakPolarHBondContact O-CB 3.37Å; V156-A159 PolarHBondContact O-N 3.39Å; L157-A159 VanDerWaalsContact C-N 3.3Å; L157-A159 PolarHBondContact O-N 3.23Å; A159-Q161 VanDerWaalsContact C-N 3.33Å; A159-Q161 PolarHBondContact O-N 2.86Å; A159-I162 PolarHBondContact O-N 3.39Å; A159-A163 PolarHBondContact O-N 2.85Å; A159-A163 VanDerWaalsContact O-N 3.16Å |
| 160 | T | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 175 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | L122 V142 V156 L157 D158 A163 G164 L165 C167 | L122-T160 HydrophobicContact CD1-CG2 3.91Å; V142-T160 HydrophobicContact CG2-CG2 3.93Å; V156-T160 WeakPolarHBondContact O-CG2 3.17Å; V156-T160 PolarHBondContact O-N 3.49Å; L157-T160 PolarHBondContact O-N 3.42Å; L157-T160 VanDerWaalsContact O-N 3.15Å; L157-T160 PolarHBondContact O-OG1 3.14Å; D158-T160 VanDerWaalsContact C-N 3.34Å; D158-T160 PolarHBondContact O-N 3.37Å; T160-A163 PolarHBondContact O-N 2.74Å; T160-G164 PolarHBondContact O-N 3.02Å; T160-L165 CarbonylContact C-O 3.56Å; T160-L165 WeakPolarHBondContact O-CB 3.45Å; T160-L165 PolarHBondContact O-N 3.29Å; T160-L165 VanDerWaalsContact O-O 3.11Å; T160-C167 HydrophobicContact CG2-CB 3.95Å; T160-C167 WeakPolarHBondContact OG1-CB 3.36Å |
| 161 | Q | 98.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 18.1 Ų | 18.1 | 44% | 0.435 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 176.6 | -70.4 | 177.6 | 72.4 | 0 | 0 | 111.4 | L157 D158 A159 A163 G164 L600 V604 | L157-Q161 PolarHBondContact O-N 3.36Å; L157-Q161 VanDerWaalsContact O-N 3.07Å; D158-Q161 WeakPolarHBondContact O-CB 3.28Å; D158-Q161 PolarHBondContact O-N 3.27Å; D158-Q161 VanDerWaalsContact O-N 3.16Å; A159-Q161 VanDerWaalsContact C-N 3.33Å; A159-Q161 PolarHBondContact O-N 2.86Å; Q161-A163 VanDerWaalsContact C-N 3.28Å; Q161-A163 PolarHBondContact O-N 2.79Å; Q161-G164 WeakPolarHBondContact O-CA 3.37Å; Q161-G164 PolarHBondContact O-N 2.82Å; Q161-L600 HydrophobicContact CB-CD1 4.34Å; Q161-L600 HydrophobicContact CB-CD2 4.2Å; Q161-L600 VanDerWaalsContact OE1-CD2 3.31Å; Q161-V604 WeakPolarHBondContact O-CG2 3.46Å |
| 162 | I | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 174.9 | -67.4 | 168.1 | 0 | 0 | 0 | 111.2 | E115 Q116 D158 A159 G164 L600 F603 E607 | E115-I162 HydrophobicContact CB-CD1 3.92Å; Q116-I162 HydrophobicContact CG-CD1 4.24Å; D158-I162 WeakPolarHBondContact O-CG1 3.21Å; D158-I162 PolarHBondContact O-N 2.91Å; A159-I162 PolarHBondContact O-N 3.39Å; I162-G164 PolarHBondContact O-N 3.33Å; I162-L600 HydrophobicContact CD1-CD1 4.14Å; I162-L600 HydrophobicContact CG1-CD1 3.68Å; I162-F603 HydrophobicContact CD1-CB 3.95Å; I162-F603 HydrophobicContact CD1-CD2 4.08Å; I162-F603 HydrophobicContact CG1-CB 3.93Å; I162-E607 HydrophobicContact CG2-CB 3.8Å; I162-E607 HydrophobicContact CG2-CG 4.1Å |
| 163 | A | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -1.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L122 A159 T160 Q161 L165 | L122-A163 HydrophobicContact CB-CB 3.6Å; A159-A163 PolarHBondContact O-N 2.85Å; A159-A163 VanDerWaalsContact O-N 3.16Å; T160-A163 PolarHBondContact O-N 2.74Å; Q161-A163 VanDerWaalsContact C-N 3.28Å; Q161-A163 PolarHBondContact O-N 2.79Å; A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 HydrophobicContact CB-CD1 4.25Å; A163-L165 HydrophobicContact CB-CG 4.36Å |
| 164 | G | 96.7 | Very high | 97.5 | Very high | 33 Ų | 33 | 18 Ų | 18 | 34% | 0.34 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 37.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K126 T160 Q161 I162 | K126-G164 PolarHBondContact NZ-O 3.1Å; T160-G164 PolarHBondContact O-N 3.02Å; Q161-G164 WeakPolarHBondContact O-CA 3.37Å; Q161-G164 PolarHBondContact O-N 2.82Å; I162-G164 PolarHBondContact O-N 3.33Å |
| 165 | L | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | trans | -109.5 | 134.7 | 173.5 | -69.2 | 170.6 | 0 | 0 | 0 | 110.2 | I6 L122 K126 V137 V138 T160 A163 C167 | I6-L165 HydrophobicContact CD1-CD1 4.17Å; L122-L165 HydrophobicContact CB-CD1 4.3Å; K126-L165 HydrophobicContact CB-CD1 4.39Å; K126-L165 HydrophobicContact CB-CD2 4.17Å; K126-L165 HydrophobicContact CD-CD2 3.83Å; K126-L165 HydrophobicContact CD-CG 4.19Å; K126-L165 HydrophobicContact CG-CD2 4Å; V137-L165 HydrophobicContact CG1-CD2 4Å; V138-L165 CarbonylContact O-C 3.56Å; V138-L165 WeakPolarHBondContact O-CA 3.46Å; T160-L165 CarbonylContact C-O 3.56Å; T160-L165 WeakPolarHBondContact O-CB 3.45Å; T160-L165 PolarHBondContact O-N 3.29Å; T160-L165 VanDerWaalsContact O-O 3.11Å; A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 HydrophobicContact CB-CD1 4.25Å; A163-L165 HydrophobicContact CB-CG 4.36Å; L165-C167 PolarHBondContact O-N 3.37Å | ||
| 166 | N | 96 | Very high | 97.6 | Very high | 81 Ų | 81 | 17 Ų | 17 | 43% | 0.433 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 103.7 | 167.2 | 179.7 | 32.4 | 0 | 0 | 0 | 109.2 | V138 D139 C140 L168 | V138-N166 HydrophobicContact CG1-CB 4.31Å; V138-N166 PolarHBondContact O-N 3.21Å; D139-N166 WeakPolarHBondContact CA-O 3.45Å; D139-N166 WeakPolarHBondContact OD1-CB 3.28Å; D139-N166 PolarHBondContact OD1-ND2 3.46Å; C140-N166 PolarHBondContact N-O 2.96Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.45Å; N166-L168 PolarHBondContact O-N 2.9Å; N166-L168 VanDerWaalsContact O-N 3.15Å |
| 167 | C | 97.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 99.4 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | C140 L157 T160 L165 R169 H487 | C140-C167 CarbonylContact O-C 3.56Å; C140-C167 WeakPolarHBondContact O-CA 3.26Å; L157-C167 HydrophobicContact CD2-CB 3.84Å; T160-C167 HydrophobicContact CG2-CB 3.95Å; T160-C167 WeakPolarHBondContact OG1-CB 3.36Å; L165-C167 PolarHBondContact O-N 3.37Å; C167-R169 PolarHBondContact O-N 3.38Å; C167-R169 PolarHBondContact SG-O 3.29Å; C167-R169 VanDerWaalsContact SG-O 3.4Å; C167-H487 PolarHBondContact O-CE1 2.9Å |
| 168 | L | 96.8 | Very high | 97.6 | Very high | 36 Ų | 36 | 15.2 Ų | 15.2 | 19% | 0.188 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | -32.3 | 179.8 | -63.1 | -178.3 | 0 | 0 | 0 | 112.2 | D139 C140 V141 N166 L383 I486 | D139-L168 HydrophobicContact CB-CD1 3.9Å; D139-L168 HydrophobicContact CB-CD2 4.3Å; D139-L168 HydrophobicContact CB-CG 4Å; C140-L168 PolarHBondContact O-N 3.01Å; V141-L168 HydrophobicContact CG2-CB 4.28Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.45Å; N166-L168 PolarHBondContact O-N 2.9Å; N166-L168 VanDerWaalsContact O-N 3.15Å; L168-L383 HydrophobicContact CB-CD1 3.82Å; L168-L383 HydrophobicContact CD1-CB 3.98Å; L168-I486 WeakPolarHBondContact O-CD1 3.41Å |
| 169 | R | 97.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 15.2 Ų | 15.2 | 7% | 0.072 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 138.1 | 177.2 | -172.1 | 167.5 | -178.7 | -171 | -2.1 | 110.8 | V141 V142 C167 Q379 L383 I486 | V141-R169 WeakPolarHBondContact CA-O 3.48Å; V141-R169 WeakPolarHBondContact CG1-O 3.44Å; V141-R169 HydrophobicContact CG2-CB 4.17Å; V142-R169 PolarHBondContact N-O 3.26Å; C167-R169 PolarHBondContact O-N 3.38Å; C167-R169 PolarHBondContact SG-O 3.29Å; C167-R169 VanDerWaalsContact SG-O 3.4Å; R169-Q379 VanDerWaalsContact NH1-NE2 3.11Å; R169-L383 HydrophobicContact CB-CD1 3.84Å; R169-I486 PolarHBondContact NE-O 3.28Å |
| 170 | L | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.7 | 156.8 | -66.3 | -177.5 | 0 | 0 | 0 | 107.6 | V142 V144 R153 V156 L157 H487 | V142-L170 HydrophobicContact CB-CD2 3.91Å; V142-L170 HydrophobicContact CG1-CD2 4.35Å; V142-L170 WeakPolarHBondContact O-CA 3.4Å; V144-L170 HydrophobicContact CG1-CD1 4.39Å; V144-L170 HydrophobicContact CG1-CD2 4.15Å; V144-L170 HydrophobicContact CG2-CB 4.26Å; R153-L170 HydrophobicContact CB-CD1 3.93Å; R153-L170 HydrophobicContact CG-CD1 4.32Å; R153-L170 WeakPolarHBondContact O-CD1 3.44Å; V156-L170 HydrophobicContact CG1-CD2 3.86Å; L157-L170 HydrophobicContact CD1-CD1 4.45Å; L157-L170 HydrophobicContact CD2-CD1 3.95Å; L157-L170 HydrophobicContact CD2-CD2 4.19Å; L157-L170 HydrophobicContact CD2-CG 3.79Å; L157-L170 HydrophobicContact CG-CD1 3.76Å; L157-L170 HydrophobicContact CG-CG 4.2Å; L170-H487 HydrophobicContact CB-CB 4.13Å; L170-H487 HydrophobicContact CD1-CB 4.46Å; L170-H487 HydrophobicContact CG-CB 4.41Å; L170-H487 PolarHBondContact N-ND1 3.25Å; L170-H487 VanDerWaalsContact N-ND1 3.12Å |
| 171 | I | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.5 | -179.7 | -169.7 | 165.8 | 0 | 0 | 0 | 109.8 | V141 V142 S143 V144 T175 A176 C376 Q379 | V141-I171 HydrophobicContact CG1-CB 4.23Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; V142-I171 PolarHBondContact O-N 3.27Å; S143-I171 CarbonylContact C-O 3.46Å; S143-I171 WeakPolarHBondContact CA-O 3.48Å; V144-I171 PolarHBondContact N-O 2.79Å; I171-T175 HydrophobicContact CD1-CG2 4.28Å; I171-T175 HydrophobicContact CG1-CG2 4.22Å; I171-A176 HydrophobicContact CD1-CB 4.04Å; I171-A176 HydrophobicContact CG1-CB 4.2Å; I171-A176 HydrophobicContact CG2-CB 3.99Å; I171-C376 WeakPolarHBondContact CG2-SG 3.4Å; I171-Q379 HydrophobicContact CD1-CB 4.13Å; I171-Q379 HydrophobicContact CD1-CG 4.12Å |
| 172 | N | 97.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 11.1 Ų | 11.1 | 5% | 0.048 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139 | 175.2 | -66.6 | -23.7 | 0 | 0 | 0 | 110.2 | V144 R153 T174 T175 A176 D396 | V144-N172 CarbonylContact O-C 3.53Å; V144-N172 VanDerWaalsContact O-CA 3.23Å; V144-N172 WeakPolarHBondContact O-CA 3.23Å; R153-N172 PolarHBondContact NH1-OD1 2.9Å; R153-N172 PolarHBondContact NH2-OD1 3.32Å; N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.43Å; N172-T175 WeakPolarHBondContact O-CA 3.31Å; N172-T175 WeakPolarHBondContact O-CB 3.19Å; N172-T175 PolarHBondContact O-N 3.28Å; N172-A176 PolarHBondContact O-N 2.94Å; N172-D396 VanDerWaalsContact ND2-CG 3.34Å; N172-D396 PolarHBondContact ND2-OD1 2.86Å; N172-D396 VanDerWaalsContact ND2-OD1 3.16Å; N172-D396 PolarHBondContact ND2-OD2 3.44Å |
| 173 | D | 96.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 11.7 Ų | 11.7 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -49.7 | -52.2 | -177.6 | -56.5 | -26.9 | 0 | 0 | 0 | 111.9 | S143 V144 P145 T175 A176 V177 Q209 V372 | S143-D173 VanDerWaalsContact CB-OD1 3.26Å; S143-D173 WeakPolarHBondContact CB-OD1 3.39Å; S143-D173 PolarHBondContact OG-OD1 3.35Å; V144-D173 PolarHBondContact N-OD1 2.92Å; V144-D173 PolarHBondContact O-N 3.07Å; V144-D173 VanDerWaalsContact O-OD1 3.1Å; P145-D173 VanDerWaalsContact CA-OD2 3.27Å; P145-D173 WeakPolarHBondContact CA-OD2 3.2Å; D173-T175 PolarHBondContact O-N 2.92Å; D173-A176 WeakPolarHBondContact O-CB 3.34Å; D173-A176 PolarHBondContact O-N 2.88Å; D173-V177 VanDerWaalsContact O-CG2 3.28Å; D173-V177 WeakPolarHBondContact O-CG2 3.42Å; D173-V177 PolarHBondContact O-N 2.95Å; D173-Q209 PolarHBondContact OD2-NE2 3.15Å; D173-V372 HydrophobicContact CB-CG1 4.32Å; D173-V372 HydrophobicContact CB-CG2 4.5Å |
| 174 | T | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.3 | -29.6 | -179.6 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | N172 A178 D202 Q209 S211 | N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.43Å; T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 2.88Å; T174-D202 HydrophobicContact CG2-CB 3.99Å; T174-Q209 HydrophobicContact CG2-CB 4.03Å; T174-S211 WeakPolarHBondContact OG1-CB 3.2Å |
| 175 | T | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71 | -37.7 | 173.2 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | I171 N172 D173 A178 L179 L220 V222 I394 D396 | I171-T175 HydrophobicContact CD1-CG2 4.28Å; I171-T175 HydrophobicContact CG1-CG2 4.22Å; N172-T175 WeakPolarHBondContact O-CA 3.31Å; N172-T175 WeakPolarHBondContact O-CB 3.19Å; N172-T175 PolarHBondContact O-N 3.28Å; D173-T175 PolarHBondContact O-N 2.92Å; T175-A178 PolarHBondContact O-N 2.75Å; T175-L179 PolarHBondContact O-N 3.46Å; T175-L220 HydrophobicContact CG2-CD2 4.41Å; T175-V222 HydrophobicContact CG2-CG2 4.48Å; T175-I394 HydrophobicContact CG2-CG2 3.65Å; T175-D396 WeakPolarHBondContact CB-OD2 3.4Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.45Å; T175-D396 VanDerWaalsContact OG1-CG 3.29Å; T175-D396 PolarHBondContact OG1-OD1 3.2Å; T175-D396 PolarHBondContact OG1-OD2 3Å |
| 176 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I171 N172 D173 A178 L179 A180 V372 G375 | I171-A176 HydrophobicContact CD1-CB 4.04Å; I171-A176 HydrophobicContact CG1-CB 4.2Å; I171-A176 HydrophobicContact CG2-CB 3.99Å; N172-A176 PolarHBondContact O-N 2.94Å; D173-A176 WeakPolarHBondContact O-CB 3.34Å; D173-A176 PolarHBondContact O-N 2.88Å; A176-A178 PolarHBondContact O-N 3.24Å; A176-L179 WeakPolarHBondContact O-CB 3.43Å; A176-L179 PolarHBondContact O-N 3.41Å; A176-A180 PolarHBondContact O-N 2.71Å; A176-V372 HydrophobicContact CB-CG1 4.3Å; A176-G375 VanDerWaalsContact O-CA 3.23Å; A176-G375 WeakPolarHBondContact O-CA 3.4Å |
| 177 | V | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111 | D173 L179 A180 Y181 F200 V341 L366 A371 V372 | D173-V177 VanDerWaalsContact O-CG2 3.28Å; D173-V177 WeakPolarHBondContact O-CG2 3.42Å; D173-V177 PolarHBondContact O-N 2.95Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.16Å; V177-A180 PolarHBondContact O-N 3.3Å; V177-Y181 PolarHBondContact O-N 3.3Å; V177-F200 HydrophobicContact CG1-CD1 3.67Å; V177-F200 HydrophobicContact CG1-CE1 4.09Å; V177-F200 HydrophobicContact CG1-CG 4.38Å; V177-V341 HydrophobicContact CG1-CG1 3.77Å; V177-V341 HydrophobicContact CG1-CG2 4.21Å; V177-V341 HydrophobicContact CG2-CG1 4.49Å; V177-V341 HydrophobicContact CG2-CG2 4.05Å; V177-L366 HydrophobicContact CG1-CD1 3.49Å; V177-L366 VanDerWaalsContact CG1-CD1 3.49Å; V177-A371 HydrophobicContact CG1-CB 4.32Å; V177-A371 HydrophobicContact CG2-CB 4.07Å; V177-V372 HydrophobicContact CG2-CB 4.42Å; V177-V372 HydrophobicContact CG2-CG2 3.6Å |
| 178 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T174 T175 A176 Y181 G182 F200 T213 F215 L220 | T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 2.88Å; T175-A178 PolarHBondContact O-N 2.75Å; A176-A178 PolarHBondContact O-N 3.24Å; A178-Y181 PolarHBondContact O-N 3.44Å; A178-G182 PolarHBondContact O-N 2.85Å; A178-F200 HydrophobicContact CB-CD2 3.78Å; A178-F200 HydrophobicContact CB-CE2 3.4Å; A178-F200 VanDerWaalsContact CB-CE2 3.4Å; A178-F200 HydrophobicContact CB-CZ 4Å; A178-T213 HydrophobicContact CB-CG2 4.12Å; A178-F215 HydrophobicContact CB-CZ 4.01Å; A178-F215 WeakPolarHBondContact O-CE1 3.37Å; A178-F215 VanDerWaalsContact O-CZ 3.28Å; A178-F215 WeakPolarHBondContact O-CZ 3.46Å; A178-L220 HydrophobicContact CB-CD1 3.94Å; A178-L220 HydrophobicContact CB-CD2 3.64Å; A178-L220 HydrophobicContact CB-CG 4.47Å |
| 179 | L | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 172.9 | 173.7 | 61.2 | 0 | 0 | 0 | 111.4 | T175 A176 V177 Y181 G182 I183 G375 L378 Q379 I382 F392 I394 | T175-L179 PolarHBondContact O-N 3.46Å; A176-L179 WeakPolarHBondContact O-CB 3.43Å; A176-L179 PolarHBondContact O-N 3.41Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.16Å; L179-Y181 PolarHBondContact O-N 3.35Å; L179-G182 PolarHBondContact O-N 3.22Å; L179-I183 HydrophobicContact CD1-CB 4.46Å; L179-I183 WeakPolarHBondContact O-CG2 3.43Å; L179-I183 PolarHBondContact O-N 3.12Å; L179-I183 VanDerWaalsContact O-N 3.07Å; L179-G375 WeakPolarHBondContact CD2-O 3.41Å; L179-L378 HydrophobicContact CD2-CB 3.91Å; L179-L378 HydrophobicContact CG-CB 4.21Å; L179-Q379 HydrophobicContact CD2-CB 3.8Å; L179-I382 HydrophobicContact CD1-CD1 4.1Å; L179-I382 HydrophobicContact CD2-CD1 4.28Å; L179-F392 HydrophobicContact CD1-CD1 3.36Å; L179-F392 HydrophobicContact CD1-CE1 3.66Å; L179-F392 HydrophobicContact CD1-CG 4.1Å; L179-I394 HydrophobicContact CB-CD1 4.24Å; L179-I394 HydrophobicContact CD1-CD1 3.81Å; L179-I394 HydrophobicContact CD1-CG1 4.37Å; L179-I394 HydrophobicContact CD2-CD1 3.73Å; L179-I394 HydrophobicContact CG-CD1 4.13Å |
| 180 | A | 95.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.1 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A176 V177 Y184 L378 | A176-A180 PolarHBondContact O-N 2.71Å; V177-A180 PolarHBondContact O-N 3.3Å; A180-Y184 WeakPolarHBondContact O-CD2 3.24Å; A180-L378 HydrophobicContact CB-CD1 4.14Å |
| 181 | Y | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -57.7 | 171.8 | -177.4 | -93.1 | 0 | 0 | 0 | 112.2 | V177 A178 L179 I183 K185 V198 F200 F215 E339 L366 | V177-Y181 PolarHBondContact O-N 3.3Å; A178-Y181 PolarHBondContact O-N 3.44Å; L179-Y181 PolarHBondContact O-N 3.35Å; Y181-I183 PolarHBondContact O-N 3.33Å; Y181-K185 HydrophobicContact CD1-CG 4.36Å; Y181-K185 HydrophobicContact CE1-CG 4.07Å; Y181-K185 WeakPolarHBondContact O-CG 3.35Å; Y181-V198 HydrophobicContact CE1-CG2 3.97Å; Y181-F200 AromaticContact CD1-CZ 3.96Å; Y181-F200 HydrophobicContact CD1-CZ 3.96Å; Y181-F200 HydrophobicContact CD2-CE1 4.26Å; Y181-F200 HydrophobicContact CD2-CZ 4.36Å; Y181-F200 HydrophobicContact CG-CE1 4.03Å; Y181-F200 AromaticContact CG-CZ 3.75Å; Y181-F200 HydrophobicContact CG-CZ 3.75Å; Y181-F215 HydrophobicContact CD1-CE1 4.39Å; Y181-F215 AromaticContact CD1-CE2 3.91Å; Y181-F215 HydrophobicContact CD1-CE2 3.91Å; Y181-F215 AromaticContact CD1-CZ 3.82Å; Y181-F215 HydrophobicContact CD1-CZ 3.82Å; Y181-F215 HydrophobicContact CE1-CE2 4.28Å; Y181-E339 HydrophobicContact CD2-CG 4.19Å; Y181-E339 HydrophobicContact CE2-CG 3.98Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.26Å; Y181-L366 HydrophobicContact CD2-CD1 4.29Å; Y181-L366 HydrophobicContact CD2-CD2 4.33Å; Y181-L366 HydrophobicContact CD2-CG 4.34Å |
| 182 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -36 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A178 L179 Y184 K185 L188 F215 | A178-G182 PolarHBondContact O-N 2.85Å; L179-G182 PolarHBondContact O-N 3.22Å; G182-Y184 VanDerWaalsContact C-N 3.3Å; G182-Y184 PolarHBondContact O-N 3.4Å; G182-K185 PolarHBondContact O-N 3.03Å; G182-L188 WeakPolarHBondContact O-CD1 3.35Å; G182-F215 VanDerWaalsContact CA-CE1 3.5Å |
| 183 | I | 91.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.077 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.9 | -31.2 | -172.8 | -156.3 | 170.6 | 0 | 0 | 0 | 113 | L179 Y181 L378 F392 | L179-I183 HydrophobicContact CD1-CB 4.46Å; L179-I183 WeakPolarHBondContact O-CG2 3.43Å; L179-I183 PolarHBondContact O-N 3.12Å; L179-I183 VanDerWaalsContact O-N 3.07Å; Y181-I183 PolarHBondContact O-N 3.33Å; I183-L378 HydrophobicContact CD1-CD2 4.21Å; I183-L378 HydrophobicContact CG2-CD1 3.68Å; I183-L378 HydrophobicContact CG2-CD2 4.11Å; I183-F392 HydrophobicContact CB-CD2 4.41Å; I183-F392 HydrophobicContact CD1-CB 4.42Å; I183-F392 HydrophobicContact CG1-CB 4.5Å; I183-F392 HydrophobicContact CG1-CD2 4.28Å; I183-F392 HydrophobicContact CG1-CG 4.47Å |
| 184 | Y | 90.8 | Very high | 94.7 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -88 | -13 | -178.7 | -67 | -58.4 | 0 | 0 | 0 | 113.4 | A180 G182 L378 | A180-Y184 WeakPolarHBondContact O-CD2 3.24Å; G182-Y184 VanDerWaalsContact C-N 3.3Å; G182-Y184 PolarHBondContact O-N 3.4Å; Y184-L378 HydrophobicContact CE2-CD1 4.1Å |
| 185 | K | 92.2 | Very high | 94.7 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 26% | 0.256 | S | S | . | . | trans | -77 | 127.5 | 176.8 | -66.9 | -67.9 | -177.2 | -177.7 | 0 | 110.6 | Y181 G182 L188 | Y181-K185 HydrophobicContact CD1-CG 4.36Å; Y181-K185 HydrophobicContact CE1-CG 4.07Å; Y181-K185 WeakPolarHBondContact O-CG 3.35Å; G182-K185 PolarHBondContact O-N 3.03Å; K185-L188 HydrophobicContact CB-CD1 4.11Å; K185-L188 HydrophobicContact CB-CD2 3.91Å; K185-L188 HydrophobicContact CB-CG 3.71Å | ||
| 186 | Q | 90.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 65% | 0.654 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -97.5 | -19.1 | -179.3 | -60.9 | -58.9 | -17.1 | 0 | 0 | 113 | ||
| 187 | D | 94.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | trans | -99 | 20.8 | -174.3 | 67.9 | -49.7 | 0 | 0 | 0 | 112.8 | R196 | D187-R196 PolarHBondContact O-NH2 2.95Å; D187-R196 IonicContact OD1-NH1 2.73Å; D187-R196 IonicContact OD2-CZ 2.81Å; D187-R196 VanDerWaalsContact OD2-CZ 3.24Å; D187-R196 IonicContact OD2-NH1 2.66Å; D187-R196 PolarHBondContact OD2-NH1 3.09Å; D187-R196 IonicContact OD2-NH2 2.82Å; D187-R196 PolarHBondContact OD2-NH2 3.32Å | ||
| 188 | L | 95.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 139 | 176.9 | -66 | -180 | 0 | 0 | 0 | 110.8 | G182 K185 F215 | G182-L188 WeakPolarHBondContact O-CD1 3.35Å; K185-L188 HydrophobicContact CB-CD1 4.11Å; K185-L188 HydrophobicContact CB-CD2 3.91Å; K185-L188 HydrophobicContact CB-CG 3.71Å; L188-F215 HydrophobicContact CD1-CB 4.25Å; L188-F215 HydrophobicContact CD1-CD1 4.37Å; L188-F215 HydrophobicContact CD2-CB 3.88Å; L188-F215 HydrophobicContact CD2-CG 4.49Å |
| 189 | P | 96.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 13% | 0.13 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 146.8 | 178.1 | -24.7 | 33.7 | 0 | 0 | 0 | 112.3 | E193 K194 R196 N216 K217 | P189-E193 HydrophobicContact CB-CB 3.87Å; P189-K194 WeakPolarHBondContact CB-O 3.44Å; P189-R196 HydrophobicContact CG-CB 4.14Å; P189-N216 CarbonylContact O-C 3.57Å; P189-N216 VanDerWaalsContact O-CA 3.26Å; P189-N216 WeakPolarHBondContact O-CA 3.43Å; P189-K217 PolarHBondContact O-N 3.12Å |
| 190 | V | 95.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 159 | 173.7 | -65 | 0 | 0 | 0 | 0 | 110.8 | E192 E193 N216 | V190-E192 WeakPolarHBondContact CG2-OE2 3.29Å; V190-E192 PolarHBondContact O-N 2.81Å; V190-E192 VanDerWaalsContact O-N 3.09Å; V190-E193 HydrophobicContact CG2-CB 4.14Å; V190-E193 HydrophobicContact CG2-CG 3.63Å; V190-E193 PolarHBondContact N-OE2 3.35Å; V190-E193 PolarHBondContact O-N 2.94Å; V190-N216 PolarHBondContact O-ND2 2.99Å |
| 191 | P | 90.8 | Very high | 95 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 51% | 0.506 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.2 | -176.9 | -27.6 | 37.1 | 0 | 0 | 0 | 115.5 | ||
| 192 | E | 91.2 | Very high | 95.1 | Very high | 159 Ų | 159 | 54.5 Ų | 54.5 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -19.8 | 178.7 | -58.6 | 72.2 | -155.1 | 0 | 0 | 112.9 | V190 | V190-E192 WeakPolarHBondContact CG2-OE2 3.29Å; V190-E192 PolarHBondContact O-N 2.81Å; V190-E192 VanDerWaalsContact O-N 3.09Å |
| 193 | E | 94.6 | Very high | 95.2 | Very high | 116 Ų | 116 | 54.5 Ų | 54.5 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -88.3 | 162.3 | 179.1 | -74.2 | 176.2 | 174.7 | 0 | 0 | 112.1 | P189 V190 N216 | P189-E193 HydrophobicContact CB-CB 3.87Å; V190-E193 HydrophobicContact CG2-CB 4.14Å; V190-E193 HydrophobicContact CG2-CG 3.63Å; V190-E193 PolarHBondContact N-OE2 3.35Å; V190-E193 PolarHBondContact O-N 2.94Å; E193-N216 PolarHBondContact O-ND2 2.9Å; E193-N216 VanDerWaalsContact O-ND2 3.12Å |
| 194 | K | 94.9 | Very high | 95.4 | Very high | 179 Ų | 179 | 54.7 Ų | 54.7 | 78% | 0.778 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 130.6 | 173.9 | -73 | -172.6 | 177.8 | -176 | 0 | 109.8 | P189 | P189-K194 WeakPolarHBondContact CB-O 3.44Š|
| 195 | P | 96.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 150.8 | -179.6 | 27.7 | -34.6 | 0 | 0 | 0 | 110.9 | N197 A214 F215 | P195-N197 PolarHBondContact O-N 3.4Å; P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.07Å; P195-F215 WeakPolarHBondContact CA-O 3.27Å |
| 196 | R | 97.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114 | 169.9 | -177.7 | 179.3 | -71.1 | -179 | -0.5 | 108.9 | D187 P189 V198 F215 Y336 | D187-R196 PolarHBondContact O-NH2 2.95Å; D187-R196 IonicContact OD1-NH1 2.73Å; D187-R196 IonicContact OD2-CZ 2.81Å; D187-R196 VanDerWaalsContact OD2-CZ 3.24Å; D187-R196 IonicContact OD2-NH1 2.66Å; D187-R196 PolarHBondContact OD2-NH1 3.09Å; D187-R196 IonicContact OD2-NH2 2.82Å; D187-R196 PolarHBondContact OD2-NH2 3.32Å; P189-R196 HydrophobicContact CG-CB 4.14Å; R196-V198 HydrophobicContact CG-CG2 4.3Å; R196-F215 HydrophobicContact CB-CB 4.49Å; R196-F215 PolarHBondContact N-O 2.92Å; R196-F215 PolarHBondContact O-N 3.38Å; R196-Y336 HydrophobicContact CG-CD1 3.73Å; R196-Y336 HydrophobicContact CG-CD2 4Å; R196-Y336 HydrophobicContact CG-CE1 4.43Å; R196-Y336 HydrophobicContact CG-CG 3.48Å; R196-Y336 VanDerWaalsContact CG-CG 3.48Å |
| 197 | N | 98.2 | Very high | 96 | Very high | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.7 | -179.4 | -50.8 | -58.2 | 0 | 0 | 0 | 111.5 | P195 T213 L330 D334 I335 Y336 | P195-N197 PolarHBondContact O-N 3.4Å; N197-T213 CarbonylContact C-O 3.43Å; N197-T213 WeakPolarHBondContact CA-O 3.48Å; N197-L330 HydrophobicContact CB-CD1 3.84Å; N197-D334 WeakPolarHBondContact CB-O 3.39Å; N197-D334 PolarHBondContact ND2-O 2.92Å; N197-I335 HydrophobicContact CB-CD1 4.41Å; N197-Y336 VanDerWaalsContact O-CB 3.25Å; N197-Y336 WeakPolarHBondContact O-CB 3.28Å; N197-Y336 PolarHBondContact O-N 3Å |
| 198 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.1 | 179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | Y181 R196 F200 T213 F215 Y336 A337 E339 | Y181-V198 HydrophobicContact CE1-CG2 3.97Å; R196-V198 HydrophobicContact CG-CG2 4.3Å; V198-F200 HydrophobicContact CB-CE2 4.18Å; V198-F200 HydrophobicContact CB-CZ 4.28Å; V198-F200 HydrophobicContact CG1-CE1 4.11Å; V198-F200 HydrophobicContact CG1-CE2 3.96Å; V198-F200 HydrophobicContact CG1-CZ 3.71Å; V198-T213 PolarHBondContact N-O 2.77Å; V198-T213 PolarHBondContact O-N 3.43Å; V198-T213 PolarHBondContact O-OG1 3.06Å; V198-F215 HydrophobicContact CB-CD2 4.29Å; V198-F215 HydrophobicContact CB-CE2 3.98Å; V198-F215 HydrophobicContact CG2-CD2 4Å; V198-F215 HydrophobicContact CG2-CE2 4.08Å; V198-Y336 HydrophobicContact CG2-CD1 4.35Å; V198-A337 WeakPolarHBondContact CA-O 3.27Å; V198-A337 HydrophobicContact CG1-CB 4.3Å; V198-E339 HydrophobicContact CG1-CG 4.06Å |
| 199 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.3 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | V201 V210 S211 I212 I335 A337 V338 E339 F358 | V199-V201 HydrophobicContact CG1-CG2 4.02Å; V199-V210 HydrophobicContact CG1-CG1 3.87Å; V199-S211 WeakPolarHBondContact CA-O 3.4Å; V199-I212 HydrophobicContact CG1-CG1 4.32Å; V199-I212 HydrophobicContact CG2-CD1 4.44Å; V199-I212 HydrophobicContact CG2-CG1 4.14Å; V199-I335 HydrophobicContact CG2-CD1 3.95Å; V199-I335 HydrophobicContact CG2-CG1 4.49Å; V199-I335 HydrophobicContact CG2-CG2 3.84Å; V199-A337 PolarHBondContact N-O 3.08Å; V199-V338 HydrophobicContact CB-CG1 4.28Å; V199-V338 HydrophobicContact CB-CG2 4.24Å; V199-V338 HydrophobicContact CG1-CG1 4.42Å; V199-V338 HydrophobicContact CG2-CG2 4.44Å; V199-V338 CarbonylContact O-C 3.41Å; V199-V338 WeakPolarHBondContact O-CA 3.34Å; V199-E339 PolarHBondContact O-N 3.49Å; V199-F358 HydrophobicContact CB-CZ 4.34Å; V199-F358 HydrophobicContact CG1-CE1 4.49Å; V199-F358 HydrophobicContact CG1-CE2 3.86Å; V199-F358 HydrophobicContact CG1-CZ 3.68Å; V199-F358 HydrophobicContact CG2-CE1 4Å; V199-F358 HydrophobicContact CG2-CZ 4.02Å |
| 200 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.4 | 170.4 | -64.6 | -77.7 | 0 | 0 | 0 | 109.4 | V177 A178 Y181 V198 V210 S211 T213 F215 E339 L366 | V177-F200 HydrophobicContact CG1-CD1 3.67Å; V177-F200 HydrophobicContact CG1-CE1 4.09Å; V177-F200 HydrophobicContact CG1-CG 4.38Å; A178-F200 HydrophobicContact CB-CD2 3.78Å; A178-F200 HydrophobicContact CB-CE2 3.4Å; A178-F200 VanDerWaalsContact CB-CE2 3.4Å; A178-F200 HydrophobicContact CB-CZ 4Å; Y181-F200 AromaticContact CD1-CZ 3.96Å; Y181-F200 HydrophobicContact CD1-CZ 3.96Å; Y181-F200 HydrophobicContact CD2-CE1 4.26Å; Y181-F200 HydrophobicContact CD2-CZ 4.36Å; Y181-F200 HydrophobicContact CG-CE1 4.03Å; Y181-F200 AromaticContact CG-CZ 3.75Å; Y181-F200 HydrophobicContact CG-CZ 3.75Å; V198-F200 HydrophobicContact CB-CE2 4.18Å; V198-F200 HydrophobicContact CB-CZ 4.28Å; V198-F200 HydrophobicContact CG1-CE1 4.11Å; V198-F200 HydrophobicContact CG1-CE2 3.96Å; V198-F200 HydrophobicContact CG1-CZ 3.71Å; F200-V210 WeakPolarHBondContact O-CA 3.25Å; F200-S211 PolarHBondContact N-O 3.25Å; F200-S211 PolarHBondContact O-N 2.98Å; F200-T213 HydrophobicContact CD2-CG2 3.89Å; F200-T213 HydrophobicContact CE2-CG2 4.07Å; F200-T213 VanDerWaalsContact CE2-OG1 3.28Å; F200-T213 WeakPolarHBondContact CE2-OG1 3.4Å; F200-F215 AromaticContact CE2-CE2 3.76Å; F200-F215 HydrophobicContact CE2-CE2 3.76Å; F200-F215 AromaticContact CE2-CZ 3.86Å; F200-F215 HydrophobicContact CE2-CZ 3.86Å; F200-F215 AromaticContact CZ-CE2 3.98Å; F200-F215 HydrophobicContact CZ-CE2 3.98Å; F200-F215 AromaticContact CZ-CZ 3.97Å; F200-F215 HydrophobicContact CZ-CZ 3.97Å; F200-E339 WeakPolarHBondContact CA-O 3.4Å; F200-E339 HydrophobicContact CD1-CB 3.66Å; F200-E339 HydrophobicContact CD1-CG 4.37Å; F200-E339 HydrophobicContact CE1-CB 3.76Å; F200-E339 HydrophobicContact CE1-CG 3.97Å; F200-L366 HydrophobicContact CE1-CD1 4.06Å |
| 201 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.6 | 177 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | V199 F208 V210 L321 V338 E339 V340 V341 I354 | V199-V201 HydrophobicContact CG1-CG2 4.02Å; V201-F208 HydrophobicContact CG1-CD2 4.31Å; V201-F208 HydrophobicContact CG1-CE2 3.29Å; V201-F208 HydrophobicContact CG1-CZ 3.61Å; V201-V210 HydrophobicContact CG1-CG2 4.44Å; V201-V210 HydrophobicContact CG2-CG1 4.41Å; V201-V210 HydrophobicContact CG2-CG2 4.47Å; V201-L321 HydrophobicContact CG2-CD2 4.13Å; V201-V338 HydrophobicContact CG2-CG1 4.13Å; V201-E339 PolarHBondContact N-O 2.86Å; V201-V340 HydrophobicContact CB-CG1 4.25Å; V201-V340 CarbonylContact O-C 3.5Å; V201-V340 WeakPolarHBondContact O-CA 3.34Å; V201-V341 PolarHBondContact O-N 3.04Å; V201-I354 HydrophobicContact CB-CD1 4.36Å; V201-I354 HydrophobicContact CG1-CD1 3.71Å; V201-I354 HydrophobicContact CG1-CG1 4.37Å; V201-I354 HydrophobicContact CG2-CG2 4.25Å |
| 202 | D | 98.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.2 | 178.4 | 171.3 | 33.3 | 0 | 0 | 0 | 110.2 | T174 F208 Q209 V341 | T174-D202 HydrophobicContact CG2-CB 3.99Å; D202-F208 CarbonylContact O-C 3.5Å; D202-F208 WeakPolarHBondContact O-CA 3.47Å; D202-Q209 HydrophobicContact CB-CB 4.39Å; D202-Q209 PolarHBondContact N-O 3.5Å; D202-Q209 PolarHBondContact O-N 3.33Å; D202-Q209 PolarHBondContact OD2-NE2 3.3Å; D202-V341 WeakPolarHBondContact CA-O 3.34Å; D202-V341 HydrophobicContact CB-CG2 3.71Å |
| 203 | M | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 100.9 | 169.5 | -157.5 | 179.4 | 176.8 | 0 | 0 | 110.7 | F208 L231 F236 V341 G342 G343 A344 T345 I350 | M203-F208 HydrophobicContact CB-CD2 3.76Å; M203-F208 HydrophobicContact CB-CE2 4.36Å; M203-F208 HydrophobicContact CG-CB 4.29Å; M203-F208 HydrophobicContact CG-CD2 3.73Å; M203-F208 HydrophobicContact CG-CG 4.47Å; M203-F208 HydrophobicContact SD-CD2 4.11Å; M203-L231 HydrophobicContact CE-CD1 4.36Å; M203-L231 HydrophobicContact CE-CG 3.99Å; M203-F236 HydrophobicContact CE-CD2 4.49Å; M203-F236 HydrophobicContact CE-CE2 3.56Å; M203-F236 HydrophobicContact CE-CZ 4.26Å; M203-V341 PolarHBondContact N-O 2.98Å; M203-V341 VanDerWaalsContact N-O 3.11Å; M203-G342 CarbonylContact O-C 3.59Å; M203-G342 WeakPolarHBondContact O-CA 3.3Å; M203-G343 PolarHBondContact O-N 2.85Å; M203-A344 HydrophobicContact CB-CB 4.11Å; M203-A344 HydrophobicContact CE-CB 4.34Å; M203-A344 HydrophobicContact CG-CB 3.75Å; M203-A344 WeakPolarHBondContact O-CB 3.39Å; M203-A344 PolarHBondContact O-N 3.01Å; M203-A344 HydrophobicContact SD-CB 3.94Å; M203-T345 HydrophobicContact CB-CG2 3.51Å; M203-I350 HydrophobicContact CE-CD1 4.26Å; M203-I350 HydrophobicContact SD-CD1 3.89Å; M203-I350 HydrophobicContact SD-CG1 4.1Å; M203-I350 HydrophobicContact SD-CG2 4.04Å |
| 204 | G | 95.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 18.2 Ų | 18.2 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | trans | -89.1 | -153.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S207 G233 A344 | G204-S207 PolarHBondContact N-O 3.49Å; G204-S207 VanDerWaalsContact N-O 3.12Å; G204-G233 PolarHBondContact O-N 2.92Å; G204-A344 WeakPolarHBondContact O-CB 3.49Å | ||
| 205 | H | 96.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 9.7 Ų | 9.7 | 26% | 0.255 | 6% | 0.056 | S | C | . | . | S | Bend | trans | -72.3 | -35.3 | 177.8 | -177.4 | 77.4 | 0 | 0 | 0 | 112.9 | F10 Q11 G232 G233 R234 | F10-H205 HydrophobicContact CB-CB 4.27Å; Q11-H205 HydrophobicContact CB-CB 3.8Å; Q11-H205 PolarHBondContact OE1-ND1 3.14Å; H205-G232 CarbonylContact O-C 3.6Å; H205-G232 VanDerWaalsContact O-C 3.27Å; H205-G232 WeakPolarHBondContact O-CA 3.5Å; H205-G233 PolarHBondContact O-N 2.97Å; H205-R234 VanDerWaalsContact O-CB 3.3Å; H205-R234 WeakPolarHBondContact O-CB 3.43Å; H205-R234 WeakPolarHBondContact O-CG 3.03Å; H205-R234 PolarHBondContact O-N 2.91Å |
| 206 | S | 94 | Very high | 97.6 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 3% | 0.028 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -122.6 | -13.9 | -171.5 | -162.6 | 0 | 0 | 0 | 0 | 115.7 | P229 L231 R234 | S206-P229 VanDerWaalsContact O-O 3.1Å; S206-L231 PolarHBondContact O-N 2.92Å; S206-R234 PolarHBondContact OG-NH1 3.11Å |
| 207 | S | 95.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 3% | 0.028 | 6% | 0.062 | C | C | . | . | trans | -145.7 | 155.7 | -171.3 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | G204 L231 | G204-S207 PolarHBondContact N-O 3.49Å; G204-S207 VanDerWaalsContact N-O 3.12Å; S207-L231 CarbonylContact C-O 3.54Å; S207-L231 WeakPolarHBondContact CA-O 3.48Å; S207-L231 PolarHBondContact N-O 2.84Å | ||
| 208 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.6 | 177.2 | 179.8 | -113.2 | 0 | 0 | 0 | 108.9 | V201 D202 M203 V210 F227 D228 L231 V317 P320 L321 | V201-F208 HydrophobicContact CG1-CD2 4.31Å; V201-F208 HydrophobicContact CG1-CE2 3.29Å; V201-F208 HydrophobicContact CG1-CZ 3.61Å; D202-F208 CarbonylContact O-C 3.5Å; D202-F208 WeakPolarHBondContact O-CA 3.47Å; M203-F208 HydrophobicContact CB-CD2 3.76Å; M203-F208 HydrophobicContact CB-CE2 4.36Å; M203-F208 HydrophobicContact CG-CB 4.29Å; M203-F208 HydrophobicContact CG-CD2 3.73Å; M203-F208 HydrophobicContact CG-CG 4.47Å; M203-F208 HydrophobicContact SD-CD2 4.11Å; F208-V210 HydrophobicContact CE1-CG2 3.79Å; F208-V210 HydrophobicContact CZ-CG2 3.9Å; F208-F227 CarbonylContact O-C 3.53Å; F208-F227 WeakPolarHBondContact O-CA 3.49Å; F208-F227 WeakPolarHBondContact O-CB 3.39Å; F208-D228 HydrophobicContact CB-CB 4.47Å; F208-D228 PolarHBondContact N-O 3.28Å; F208-D228 PolarHBondContact O-N 3.45Å; F208-L231 HydrophobicContact CB-CB 4.32Å; F208-L231 HydrophobicContact CB-CD2 4.18Å; F208-L231 HydrophobicContact CB-CG 4.34Å; F208-L231 WeakPolarHBondContact CB-O 3.32Å; F208-L231 HydrophobicContact CD1-CD2 4.5Å; F208-L231 HydrophobicContact CG-CD2 4.47Å; F208-L231 PolarHBondContact N-O 3.19Å; F208-V317 HydrophobicContact CE1-CG1 4.01Å; F208-V317 WeakPolarHBondContact CE1-O 3.5Å; F208-V317 HydrophobicContact CE2-CG1 4.23Å; F208-V317 HydrophobicContact CZ-CG1 3.67Å; F208-P320 HydrophobicContact CD1-CB 3.97Å; F208-P320 HydrophobicContact CD1-CG 3.84Å; F208-P320 HydrophobicContact CE1-CB 3.92Å; F208-P320 HydrophobicContact CE1-CG 4.13Å; F208-L321 HydrophobicContact CE1-CG 4.32Å; F208-L321 HydrophobicContact CZ-CD2 4.15Å; F208-L321 HydrophobicContact CZ-CG 4.22Å |
| 209 | Q | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.9 | -173.4 | -49.7 | -176.4 | 83.2 | 0 | 0 | 110.1 | S146 F147 D173 T174 D202 F227 | S146-Q209 PolarHBondContact OG-OE1 3.28Å; F147-Q209 HydrophobicContact CD1-CG 4.31Å; F147-Q209 HydrophobicContact CE1-CG 4.1Å; D173-Q209 PolarHBondContact OD2-NE2 3.15Å; T174-Q209 HydrophobicContact CG2-CB 4.03Å; D202-Q209 HydrophobicContact CB-CB 4.39Å; D202-Q209 PolarHBondContact N-O 3.5Å; D202-Q209 PolarHBondContact O-N 3.33Å; D202-Q209 PolarHBondContact OD2-NE2 3.3Å; Q209-F227 HydrophobicContact CG-CB 4.31Å |
| 210 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.3 | 178.2 | -176 | 0 | 0 | 0 | 0 | 108.2 | V199 F200 V201 F208 T225 A226 P320 L321 A324 | V199-V210 HydrophobicContact CG1-CG1 3.87Å; F200-V210 WeakPolarHBondContact O-CA 3.25Å; V201-V210 HydrophobicContact CG1-CG2 4.44Å; V201-V210 HydrophobicContact CG2-CG1 4.41Å; V201-V210 HydrophobicContact CG2-CG2 4.47Å; F208-V210 HydrophobicContact CE1-CG2 3.79Å; F208-V210 HydrophobicContact CZ-CG2 3.9Å; V210-T225 WeakPolarHBondContact O-CA 3.44Å; V210-T225 PolarHBondContact O-OG1 3.45Å; V210-A226 PolarHBondContact N-O 2.84Å; V210-A226 PolarHBondContact O-N 2.91Å; V210-P320 HydrophobicContact CG2-CB 4.13Å; V210-L321 HydrophobicContact CG1-CD2 4.29Å; V210-L321 HydrophobicContact CG2-CD2 3.72Å; V210-L321 HydrophobicContact CG2-CG 4.37Å; V210-A324 HydrophobicContact CB-CB 4.15Å; V210-A324 HydrophobicContact CG1-CB 3.81Å |
| 211 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.6 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | T174 V199 F200 V222 | T174-S211 WeakPolarHBondContact OG1-CB 3.2Å; V199-S211 WeakPolarHBondContact CA-O 3.4Å; F200-S211 PolarHBondContact N-O 3.25Å; F200-S211 PolarHBondContact O-N 2.98Å; S211-V222 WeakPolarHBondContact OG-CG1 3.14Å |
| 212 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.7 | 174.7 | -56.4 | -172.4 | 0 | 0 | 0 | 107.8 | V199 L223 A224 A324 F325 L330 I335 | V199-I212 HydrophobicContact CG1-CG1 4.32Å; V199-I212 HydrophobicContact CG2-CD1 4.44Å; V199-I212 HydrophobicContact CG2-CG1 4.14Å; I212-L223 HydrophobicContact CG2-CD1 4.43Å; I212-L223 WeakPolarHBondContact O-CB 3.4Å; I212-L223 PolarHBondContact O-N 2.83Å; I212-A224 PolarHBondContact N-O 3.08Å; I212-A224 PolarHBondContact O-N 2.8Å; I212-A324 HydrophobicContact CD1-CB 4.09Å; I212-A324 WeakPolarHBondContact CD1-O 3.41Å; I212-A324 HydrophobicContact CG1-CB 4.19Å; I212-F325 HydrophobicContact CD1-CB 4.3Å; I212-F325 HydrophobicContact CD1-CD2 4.27Å; I212-L330 HydrophobicContact CG2-CD1 3.88Å; I212-I335 HydrophobicContact CG2-CD1 4.48Å |
| 213 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.4 | -170.2 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | A178 N197 V198 F200 F215 L220 K221 V222 | A178-T213 HydrophobicContact CB-CG2 4.12Å; N197-T213 CarbonylContact C-O 3.43Å; N197-T213 WeakPolarHBondContact CA-O 3.48Å; V198-T213 PolarHBondContact N-O 2.77Å; V198-T213 PolarHBondContact O-N 3.43Å; V198-T213 PolarHBondContact O-OG1 3.06Å; F200-T213 HydrophobicContact CD2-CG2 3.89Å; F200-T213 HydrophobicContact CE2-CG2 4.07Å; F200-T213 VanDerWaalsContact CE2-OG1 3.28Å; F200-T213 WeakPolarHBondContact CE2-OG1 3.4Å; T213-F215 WeakPolarHBondContact OG1-CE2 3.3Å; T213-L220 HydrophobicContact CG2-CD1 3.94Å; T213-K221 CarbonylContact C-O 3.57Å; T213-K221 WeakPolarHBondContact CA-O 3.44Å; T213-V222 HydrophobicContact CG2-CG2 4.22Å |
| 214 | A | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P195 K221 L223 | P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.07Å; A214-K221 PolarHBondContact N-O 2.75Å; A214-K221 PolarHBondContact O-N 2.71Å; A214-L223 HydrophobicContact CB-CD1 4.03Å; A214-L223 HydrophobicContact CB-CD2 4.06Å; A214-L223 HydrophobicContact CB-CG 4.07Å |
| 215 | F | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.9 | 178.7 | -69 | -84.9 | 0 | 0 | 0 | 112.4 | A178 Y181 G182 L188 P195 R196 V198 F200 T213 K219 L220 F392 | A178-F215 HydrophobicContact CB-CZ 4.01Å; A178-F215 WeakPolarHBondContact O-CE1 3.37Å; A178-F215 VanDerWaalsContact O-CZ 3.28Å; A178-F215 WeakPolarHBondContact O-CZ 3.46Å; Y181-F215 HydrophobicContact CD1-CE1 4.39Å; Y181-F215 AromaticContact CD1-CE2 3.91Å; Y181-F215 HydrophobicContact CD1-CE2 3.91Å; Y181-F215 AromaticContact CD1-CZ 3.82Å; Y181-F215 HydrophobicContact CD1-CZ 3.82Å; Y181-F215 HydrophobicContact CE1-CE2 4.28Å; G182-F215 VanDerWaalsContact CA-CE1 3.5Å; L188-F215 HydrophobicContact CD1-CB 4.25Å; L188-F215 HydrophobicContact CD1-CD1 4.37Å; L188-F215 HydrophobicContact CD2-CB 3.88Å; L188-F215 HydrophobicContact CD2-CG 4.49Å; P195-F215 WeakPolarHBondContact CA-O 3.27Å; R196-F215 HydrophobicContact CB-CB 4.49Å; R196-F215 PolarHBondContact N-O 2.92Å; R196-F215 PolarHBondContact O-N 3.38Å; V198-F215 HydrophobicContact CB-CD2 4.29Å; V198-F215 HydrophobicContact CB-CE2 3.98Å; V198-F215 HydrophobicContact CG2-CD2 4Å; V198-F215 HydrophobicContact CG2-CE2 4.08Å; F200-F215 AromaticContact CE2-CE2 3.76Å; F200-F215 HydrophobicContact CE2-CE2 3.76Å; F200-F215 AromaticContact CE2-CZ 3.86Å; F200-F215 HydrophobicContact CE2-CZ 3.86Å; F200-F215 AromaticContact CZ-CE2 3.98Å; F200-F215 HydrophobicContact CZ-CE2 3.98Å; F200-F215 AromaticContact CZ-CZ 3.97Å; F200-F215 HydrophobicContact CZ-CZ 3.97Å; T213-F215 WeakPolarHBondContact OG1-CE2 3.3Å; F215-K219 WeakPolarHBondContact CA-O 3.17Å; F215-L220 HydrophobicContact CD1-CB 4.24Å; F215-L220 HydrophobicContact CD1-CD1 4.18Å; F215-L220 HydrophobicContact CE1-CB 4.02Å; F215-L220 HydrophobicContact CE1-CD1 3.63Å; F215-L220 HydrophobicContact CE1-CD2 4.39Å; F215-L220 HydrophobicContact CE1-CG 4.21Å; F215-L220 HydrophobicContact CE2-CD1 4.27Å; F215-L220 HydrophobicContact CZ-CD1 3.69Å; F215-F392 HydrophobicContact CD1-CZ 4.18Å; F215-F392 HydrophobicContact CE1-CZ 4.16Å |
| 216 | N | 96.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 10% | 0.096 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 169.7 | 157.4 | -63 | 97.5 | 0 | 0 | 0 | 108.2 | P189 V190 E193 G218 K219 | P189-N216 CarbonylContact O-C 3.57Å; P189-N216 VanDerWaalsContact O-CA 3.26Å; P189-N216 WeakPolarHBondContact O-CA 3.43Å; V190-N216 PolarHBondContact O-ND2 2.99Å; E193-N216 PolarHBondContact O-ND2 2.9Å; E193-N216 VanDerWaalsContact O-ND2 3.12Å; N216-G218 PolarHBondContact O-N 2.88Å; N216-K219 HydrophobicContact CB-CB 4.45Å; N216-K219 PolarHBondContact N-O 2.98Å; N216-K219 PolarHBondContact O-N 3.33Å |
| 217 | K | 94.3 | Very high | 97 | Very high | 114 Ų | 114 | 21.4 Ų | 21.4 | 50% | 0.496 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 115.6 | 176.7 | -171.8 | 176.8 | -178.6 | 178.6 | 0 | 110.4 | P189 K219 | P189-K217 PolarHBondContact O-N 3.12Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.04Å |
| 218 | G | 92.2 | Very high | 97 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 21% | 0.206 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 12.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N216 F392 S393 | N216-G218 PolarHBondContact O-N 2.88Å; G218-F392 CarbonylContact O-C 3.5Å; G218-F392 WeakPolarHBondContact O-CA 3.42Å; G218-S393 PolarHBondContact O-N 3.37Å |
| 219 | K | 95.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 23.2 Ų | 23.2 | 40% | 0.404 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 128.9 | -176.7 | -172.4 | 179.7 | -179 | -179.1 | 0 | 112.5 | F215 N216 K217 S393 | F215-K219 WeakPolarHBondContact CA-O 3.17Å; N216-K219 HydrophobicContact CB-CB 4.45Å; N216-K219 PolarHBondContact N-O 2.98Å; N216-K219 PolarHBondContact O-N 3.33Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.04Å; K219-S393 WeakPolarHBondContact CA-O 3.49Å |
| 220 | L | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.5 | 170.1 | 162.8 | 61.6 | 0 | 0 | 0 | 109.2 | T175 A178 T213 F215 F392 S393 I394 T395 | T175-L220 HydrophobicContact CG2-CD2 4.41Å; A178-L220 HydrophobicContact CB-CD1 3.94Å; A178-L220 HydrophobicContact CB-CD2 3.64Å; A178-L220 HydrophobicContact CB-CG 4.47Å; T213-L220 HydrophobicContact CG2-CD1 3.94Å; F215-L220 HydrophobicContact CD1-CB 4.24Å; F215-L220 HydrophobicContact CD1-CD1 4.18Å; F215-L220 HydrophobicContact CE1-CB 4.02Å; F215-L220 HydrophobicContact CE1-CD1 3.63Å; F215-L220 HydrophobicContact CE1-CD2 4.39Å; F215-L220 HydrophobicContact CE1-CG 4.21Å; F215-L220 HydrophobicContact CE2-CD1 4.27Å; F215-L220 HydrophobicContact CZ-CD1 3.69Å; L220-F392 HydrophobicContact CB-CD1 4.47Å; L220-F392 HydrophobicContact CB-CE1 3.41Å; L220-F392 VanDerWaalsContact CB-CE1 3.41Å; L220-F392 HydrophobicContact CB-CZ 3.78Å; L220-F392 HydrophobicContact CD2-CE1 4.27Å; L220-F392 HydrophobicContact CG-CE1 4.49Å; L220-S393 PolarHBondContact N-O 3.16Å; L220-I394 HydrophobicContact CD2-CG2 4.16Å; L220-I394 HydrophobicContact CG-CG2 4.48Å; L220-I394 WeakPolarHBondContact O-CA 3.17Å; L220-T395 PolarHBondContact O-N 2.91Å |
| 221 | K | 97.6 | Very high | 96.4 | Very high | 96 Ų | 96 | 26.4 Ų | 26.4 | 42% | 0.417 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.7 | 169.1 | -175.8 | -179.9 | 179.2 | -172.6 | 0 | 110 | T213 A214 L223 T395 | T213-K221 CarbonylContact C-O 3.57Å; T213-K221 WeakPolarHBondContact CA-O 3.44Å; A214-K221 PolarHBondContact N-O 2.75Å; A214-K221 PolarHBondContact O-N 2.71Å; K221-L223 HydrophobicContact CD-CD2 4.11Å; K221-L223 HydrophobicContact CG-CD2 4.25Å; K221-T395 HydrophobicContact CG-CG2 4.39Å |
| 222 | V | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129 | 166.6 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | T175 S211 T213 T395 V397 | T175-V222 HydrophobicContact CG2-CG2 4.48Å; S211-V222 WeakPolarHBondContact OG-CG1 3.14Å; T213-V222 HydrophobicContact CG2-CG2 4.22Å; V222-T395 PolarHBondContact N-O 3.48Å; V222-V397 HydrophobicContact CB-CG1 4.06Å; V222-V397 HydrophobicContact CB-CG2 4.32Å; V222-V397 HydrophobicContact CG1-CG1 4.14Å; V222-V397 HydrophobicContact CG1-CG2 3.7Å; V222-V397 WeakPolarHBondContact O-CG1 3.3Å |
| 223 | L | 97.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -44.1 | -178.8 | -60.3 | -178.7 | 0 | 0 | 0 | 111.5 | I212 A214 K221 L330 | I212-L223 HydrophobicContact CG2-CD1 4.43Å; I212-L223 WeakPolarHBondContact O-CB 3.4Å; I212-L223 PolarHBondContact O-N 2.83Å; A214-L223 HydrophobicContact CB-CD1 4.03Å; A214-L223 HydrophobicContact CB-CD2 4.06Å; A214-L223 HydrophobicContact CB-CG 4.07Å; K221-L223 HydrophobicContact CD-CD2 4.11Å; K221-L223 HydrophobicContact CG-CD2 4.25Å; L223-L330 HydrophobicContact CD1-CD1 3.94Å; L223-L330 HydrophobicContact CD1-CG 4.45Å |
| 224 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 147.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I212 A324 Q327 | I212-A224 PolarHBondContact N-O 3.08Å; I212-A224 PolarHBondContact O-N 2.8Å; A224-A324 WeakPolarHBondContact CB-O 3.4Å; A224-Q327 HydrophobicContact CB-CB 3.68Å |
| 225 | T | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.8 | 170.6 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | S146 V210 Q327 V397 P399 | S146-T225 PolarHBondContact OG-OG1 2.81Å; V210-T225 WeakPolarHBondContact O-CA 3.44Å; V210-T225 PolarHBondContact O-OG1 3.45Å; T225-Q327 PolarHBondContact O-OE1 2.84Å; T225-V397 HydrophobicContact CG2-CG2 3.93Å; T225-P399 HydrophobicContact CG2-CB 4.24Å |
| 226 | A | 96.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V210 P320 T323 A324 | V210-A226 PolarHBondContact N-O 2.84Å; V210-A226 PolarHBondContact O-N 2.91Å; A226-P320 HydrophobicContact CB-CB 4.19Å; A226-P320 WeakPolarHBondContact CB-O 3.47Å; A226-T323 HydrophobicContact CB-CG2 3.8Å; A226-A324 HydrophobicContact CB-CB 3.78Å |
| 227 | F | 96.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 18% | 0.184 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 159.2 | -170.5 | 41.9 | -99.1 | 0 | 0 | 0 | 112.1 | F147 F208 Q209 P399 F400 | F147-F227 HydrophobicContact CB-CD1 3.71Å; F147-F227 HydrophobicContact CB-CD2 3.48Å; F147-F227 VanDerWaalsContact CB-CD2 3.48Å; F147-F227 HydrophobicContact CB-CE1 3.62Å; F147-F227 HydrophobicContact CB-CE2 3.37Å; F147-F227 HydrophobicContact CB-CG 3.65Å; F147-F227 HydrophobicContact CB-CZ 3.45Å; F147-F227 VanDerWaalsContact CB-CZ 3.45Å; F147-F227 HydrophobicContact CD1-CB 3.87Å; F147-F227 HydrophobicContact CD1-CD1 4.37Å; F147-F227 HydrophobicContact CD1-CD2 4.07Å; F147-F227 AromaticContact CD1-CG 3.84Å; F147-F227 HydrophobicContact CD1-CG 3.84Å; F147-F227 HydrophobicContact CG-CD2 4.02Å; F147-F227 HydrophobicContact CG-CE2 4.32Å; F147-F227 HydrophobicContact CG-CG 4.14Å; F208-F227 CarbonylContact O-C 3.53Å; F208-F227 WeakPolarHBondContact O-CA 3.49Å; F208-F227 WeakPolarHBondContact O-CB 3.39Å; Q209-F227 HydrophobicContact CG-CB 4.31Å; F227-P399 HydrophobicContact CE1-CB 4.15Å; F227-F400 HydrophobicContact CE2-CE1 4.1Å; F227-F400 HydrophobicContact CE2-CZ 4.08Å; F227-F400 AromaticContact CZ-CE1 3.58Å; F227-F400 HydrophobicContact CZ-CE1 3.58Å; F227-F400 AromaticContact CZ-CZ 3.6Å; F227-F400 HydrophobicContact CZ-CZ 3.6Å |
| 228 | D | 95.9 | Very high | 96.2 | Very high | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.112 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 107.9 | 158.6 | -175.4 | -28.8 | 0 | 0 | 0 | 107.4 | F208 Y230 L231 R316 P320 | F208-D228 HydrophobicContact CB-CB 4.47Å; F208-D228 PolarHBondContact N-O 3.28Å; F208-D228 PolarHBondContact O-N 3.45Å; D228-Y230 PolarHBondContact O-N 3.44Å; D228-Y230 PolarHBondContact OD1-N 3.21Å; D228-L231 HydrophobicContact CB-CB 3.84Å; D228-L231 HydrophobicContact CB-CD2 4.33Å; D228-L231 VanDerWaalsContact CG-CB 3.41Å; D228-L231 PolarHBondContact OD1-N 3.19Å; D228-R316 IonicContact OD1-CZ 3.69Å; D228-R316 IonicContact OD1-NH2 2.92Å; D228-R316 PolarHBondContact OD1-NH2 3.24Å; D228-R316 IonicContact OD2-CZ 3.22Å; D228-R316 VanDerWaalsContact OD2-CZ 3.22Å; D228-R316 IonicContact OD2-NE 3.32Å; D228-R316 PolarHBondContact OD2-NE 3.21Å; D228-R316 IonicContact OD2-NH2 2.73Å; D228-R316 PolarHBondContact OD2-NH2 2.85Å; D228-P320 HydrophobicContact CB-CG 3.97Å |
| 229 | P | 93.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 14% | 0.143 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.5 | -173.1 | 30.8 | -33.3 | 0 | 0 | 0 | 112.9 | F147 S206 P453 | F147-P229 HydrophobicContact CD1-CB 4.36Å; F147-P229 HydrophobicContact CD2-CB 3.84Å; F147-P229 HydrophobicContact CE1-CB 4.16Å; F147-P229 HydrophobicContact CE2-CB 3.61Å; F147-P229 HydrophobicContact CG-CB 4.21Å; F147-P229 HydrophobicContact CZ-CB 3.78Å; S206-P229 VanDerWaalsContact O-O 3.1Å; P229-P453 HydrophobicContact CB-CB 4.39Å; P229-P453 HydrophobicContact CG-CB 4.03Å |
| 230 | Y | 92.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 21.1 Ų | 21.1 | 26% | 0.259 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 18.8 | -174.4 | -47.9 | -57.6 | 0 | 0 | 0 | 113.3 | F79 D228 N235 P453 | F79-Y230 HydrophobicContact CD2-CD1 4.2Å; F79-Y230 AromaticContact CD2-CE1 3.55Å; F79-Y230 HydrophobicContact CD2-CE1 3.55Å; F79-Y230 AromaticContact CE2-CD1 3.52Å; F79-Y230 HydrophobicContact CE2-CD1 3.52Å; F79-Y230 AromaticContact CE2-CE1 3.22Å; F79-Y230 HydrophobicContact CE2-CE1 3.22Å; F79-Y230 HydrophobicContact CG-CE1 4.33Å; F79-Y230 HydrophobicContact CZ-CD1 4.11Å; F79-Y230 AromaticContact CZ-CE1 3.76Å; F79-Y230 HydrophobicContact CZ-CE1 3.76Å; D228-Y230 PolarHBondContact O-N 3.44Å; D228-Y230 PolarHBondContact OD1-N 3.21Å; Y230-N235 PolarHBondContact O-ND2 3.46Å; Y230-N235 VanDerWaalsContact O-ND2 3.12Å; Y230-N235 PolarHBondContact O-OD1 2.73Å; Y230-N235 VanDerWaalsContact O-OD1 3.13Å; Y230-P453 PolarHBondContact OH-O 3.45Å |
| 231 | L | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -122.5 | 107.4 | 179 | 179.7 | 66.4 | 0 | 0 | 0 | 109.9 | M203 S206 S207 F208 D228 N235 Y313 R316 V317 | M203-L231 HydrophobicContact CE-CD1 4.36Å; M203-L231 HydrophobicContact CE-CG 3.99Å; S206-L231 PolarHBondContact O-N 2.92Å; S207-L231 CarbonylContact C-O 3.54Å; S207-L231 WeakPolarHBondContact CA-O 3.48Å; S207-L231 PolarHBondContact N-O 2.84Å; F208-L231 HydrophobicContact CB-CB 4.32Å; F208-L231 HydrophobicContact CB-CD2 4.18Å; F208-L231 HydrophobicContact CB-CG 4.34Å; F208-L231 WeakPolarHBondContact CB-O 3.32Å; F208-L231 HydrophobicContact CD1-CD2 4.5Å; F208-L231 HydrophobicContact CG-CD2 4.47Å; F208-L231 PolarHBondContact N-O 3.19Å; D228-L231 HydrophobicContact CB-CB 3.84Å; D228-L231 HydrophobicContact CB-CD2 4.33Å; D228-L231 VanDerWaalsContact CG-CB 3.41Å; D228-L231 PolarHBondContact OD1-N 3.19Å; L231-N235 WeakPolarHBondContact CA-OD1 3.42Å; L231-Y313 HydrophobicContact CD1-CD1 4.28Å; L231-Y313 HydrophobicContact CD1-CG 4.39Å; L231-R316 HydrophobicContact CD2-CB 3.82Å; L231-V317 HydrophobicContact CD2-CG2 4.04Å | ||
| 232 | G | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -157.2 | -173 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | H205 R234 N235 F236 | H205-G232 CarbonylContact O-C 3.6Å; H205-G232 VanDerWaalsContact O-C 3.27Å; H205-G232 WeakPolarHBondContact O-CA 3.5Å; G232-R234 PolarHBondContact O-N 3.32Å; G232-N235 PolarHBondContact N-OD1 3.35Å; G232-N235 PolarHBondContact O-N 2.73Å; G232-N235 PolarHBondContact O-OD1 3.47Å; G232-F236 WeakPolarHBondContact O-CD2 3.38Å |
| 233 | G | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.1 | -29.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G204 H205 N235 F236 D237 K274 | G204-G233 PolarHBondContact O-N 2.92Å; H205-G233 PolarHBondContact O-N 2.97Å; G233-N235 VanDerWaalsContact C-N 3.32Å; G233-N235 PolarHBondContact O-N 3.3Å; G233-F236 PolarHBondContact O-N 3.13Å; G233-D237 PolarHBondContact O-N 3.44Å; G233-D237 VanDerWaalsContact O-N 3.17Å; G233-D237 VanDerWaalsContact O-OD2 3.09Å; G233-K274 PolarHBondContact O-NZ 3.07Å |
| 234 | R | 95.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 21 Ų | 21 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 178.8 | 80.5 | -177.6 | -157.8 | 159.1 | 22.9 | 113.4 | E83 H205 S206 G232 F236 D237 E238 | E83-R234 IonicContact OE1-NH2 3.56Å; E83-R234 PolarHBondContact OE1-NH2 3.38Å; E83-R234 IonicContact OE2-CZ 2.7Å; E83-R234 IonicContact OE2-NH1 3.24Å; E83-R234 PolarHBondContact OE2-NH1 3.16Å; E83-R234 IonicContact OE2-NH2 2.71Å; E83-R234 PolarHBondContact OE2-NH2 3.49Å; H205-R234 VanDerWaalsContact O-CB 3.3Å; H205-R234 WeakPolarHBondContact O-CB 3.43Å; H205-R234 WeakPolarHBondContact O-CG 3.03Å; H205-R234 PolarHBondContact O-N 2.91Å; S206-R234 PolarHBondContact OG-NH1 3.11Å; G232-R234 PolarHBondContact O-N 3.32Å; R234-F236 VanDerWaalsContact C-N 3.27Å; R234-F236 PolarHBondContact O-N 3.42Å; R234-D237 PolarHBondContact O-N 3.28Å; R234-E238 PolarHBondContact O-N 3.15Å |
| 235 | N | 96.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 10% | 0.102 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68 | -35.2 | -178.3 | -60.2 | 93.3 | 0 | 0 | 0 | 110.6 | Y230 L231 G232 G233 A239 Y313 | Y230-N235 PolarHBondContact O-ND2 3.46Å; Y230-N235 VanDerWaalsContact O-ND2 3.12Å; Y230-N235 PolarHBondContact O-OD1 2.73Å; Y230-N235 VanDerWaalsContact O-OD1 3.13Å; L231-N235 WeakPolarHBondContact CA-OD1 3.42Å; G232-N235 PolarHBondContact N-OD1 3.35Å; G232-N235 PolarHBondContact O-N 2.73Å; G232-N235 PolarHBondContact O-OD1 3.47Å; G233-N235 VanDerWaalsContact C-N 3.32Å; G233-N235 PolarHBondContact O-N 3.3Å; N235-A239 PolarHBondContact O-N 3.01Å; N235-A239 VanDerWaalsContact O-N 3.1Å; N235-Y313 HydrophobicContact CB-CD1 4.08Å; N235-Y313 HydrophobicContact CB-CD2 4.08Å; N235-Y313 HydrophobicContact CB-CE1 4.02Å; N235-Y313 HydrophobicContact CB-CE2 3.99Å; N235-Y313 HydrophobicContact CB-CG 4.13Å; N235-Y313 VanDerWaalsContact O-CE2 3.31Å; N235-Y313 WeakPolarHBondContact O-CE2 3.38Å |
| 236 | F | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.4 | -36 | 174.3 | -62.7 | -93.5 | 0 | 0 | 0 | 111.9 | M203 G232 G233 R234 L240 K274 F306 C310 L314 I347 I350 | M203-F236 HydrophobicContact CE-CD2 4.49Å; M203-F236 HydrophobicContact CE-CE2 3.56Å; M203-F236 HydrophobicContact CE-CZ 4.26Å; G232-F236 WeakPolarHBondContact O-CD2 3.38Å; G233-F236 PolarHBondContact O-N 3.13Å; R234-F236 VanDerWaalsContact C-N 3.27Å; R234-F236 PolarHBondContact O-N 3.42Å; F236-L240 PolarHBondContact O-N 3.17Å; F236-K274 HydrophobicContact CB-CD 3.79Å; F236-F306 HydrophobicContact CB-CE2 4.04Å; F236-F306 HydrophobicContact CB-CZ 3.81Å; F236-F306 HydrophobicContact CD1-CE1 4.43Å; F236-F306 HydrophobicContact CD1-CE2 4.24Å; F236-F306 AromaticContact CD1-CZ 3.68Å; F236-F306 HydrophobicContact CD1-CZ 3.68Å; F236-F306 HydrophobicContact CG-CZ 4.16Å; F236-C310 HydrophobicContact CD1-CB 3.65Å; F236-C310 VanDerWaalsContact CD1-SG 3.58Å; F236-C310 HydrophobicContact CE1-CB 3.68Å; F236-L314 HydrophobicContact CE1-CD2 3.92Å; F236-L314 HydrophobicContact CE1-CG 4.29Å; F236-L314 HydrophobicContact CZ-CD2 4.09Å; F236-I347 HydrophobicContact CD1-CD1 4.17Å; F236-I347 HydrophobicContact CD2-CD1 4.22Å; F236-I347 HydrophobicContact CE1-CD1 4.38Å; F236-I347 HydrophobicContact CE2-CD1 4.47Å; F236-I347 HydrophobicContact CG-CD1 4.1Å; F236-I350 HydrophobicContact CZ-CD1 4.09Å |
| 237 | D | 97.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.7 | -61.6 | -35.7 | 0 | 0 | 0 | 110.8 | G233 R234 L240 V241 E271 K274 | G233-D237 PolarHBondContact O-N 3.44Å; G233-D237 VanDerWaalsContact O-N 3.17Å; G233-D237 VanDerWaalsContact O-OD2 3.09Å; R234-D237 PolarHBondContact O-N 3.28Å; D237-L240 PolarHBondContact O-N 3.41Å; D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.44Å; D237-V241 PolarHBondContact O-N 3.24Å; D237-E271 WeakPolarHBondContact OD1-CA 3.09Å; D237-K274 VanDerWaalsContact OD1-CD 3.26Å; D237-K274 WeakPolarHBondContact OD1-CD 2.91Å; D237-K274 WeakPolarHBondContact OD1-CE 3.36Å; D237-K274 IonicContact OD1-NZ 3.6Å; D237-K274 PolarHBondContact OD1-NZ 3.46Å; D237-K274 IonicContact OD2-NZ 2.64Å; D237-K274 PolarHBondContact OD2-NZ 2.84Å |
| 238 | E | 95.8 | Very high | 96.7 | Very high | 52 Ų | 52 | 25.3 Ų | 25.3 | 24% | 0.243 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.8 | -167 | 69.7 | -161.8 | 0 | 0 | 111.8 | R234 L240 V241 D242 R257 H267 | R234-E238 PolarHBondContact O-N 3.15Å; E238-L240 VanDerWaalsContact C-N 3.25Å; E238-L240 PolarHBondContact O-N 2.81Å; E238-V241 PolarHBondContact O-N 3.19Å; E238-V241 VanDerWaalsContact O-N 3.1Å; E238-D242 WeakPolarHBondContact O-CB 3.5Å; E238-D242 VanDerWaalsContact O-CG 3.24Å; E238-D242 PolarHBondContact O-N 3.41Å; E238-R257 IonicContact OE1-NH1 3.95Å; E238-H267 IonicContact OE2-CE1 2.59Å; E238-H267 PolarHBondContact OE2-CE1 2.7Å |
| 239 | A | 97.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 29 Ų | 29 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N235 Y243 Y313 | N235-A239 PolarHBondContact O-N 3.01Å; N235-A239 VanDerWaalsContact O-N 3.1Å; A239-Y243 WeakPolarHBondContact O-CB 3.27Å; A239-Y243 PolarHBondContact O-N 3.29Å; A239-Y243 VanDerWaalsContact O-N 3.12Å; A239-Y313 HydrophobicContact CB-CE2 4.25Å |
| 240 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -44.4 | 174.4 | -72.7 | 170.2 | 0 | 0 | 0 | 111.6 | F236 D237 E238 D242 Y243 F244 C270 K274 M277 M301 F306 M309 | F236-L240 PolarHBondContact O-N 3.17Å; D237-L240 PolarHBondContact O-N 3.41Å; E238-L240 VanDerWaalsContact C-N 3.25Å; E238-L240 PolarHBondContact O-N 2.81Å; L240-D242 VanDerWaalsContact C-N 3.34Å; L240-D242 PolarHBondContact O-N 2.72Å; L240-Y243 PolarHBondContact O-N 3.43Å; L240-F244 HydrophobicContact CB-CE2 4.46Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 WeakPolarHBondContact O-CD2 3.49Å; L240-F244 PolarHBondContact O-N 2.8Å; L240-C270 HydrophobicContact CB-CB 3.85Å; L240-C270 HydrophobicContact CD1-CB 4.36Å; L240-K274 HydrophobicContact CD1-CB 3.99Å; L240-M277 HydrophobicContact CD1-CE 3.93Å; L240-M277 HydrophobicContact CD2-CE 4.2Å; L240-M301 HydrophobicContact CD2-CE 4.23Å; L240-M301 HydrophobicContact CD2-CG 4.11Å; L240-M301 HydrophobicContact CD2-SD 4.49Å; L240-F306 HydrophobicContact CD1-CD2 4.04Å; L240-F306 HydrophobicContact CD1-CE2 3.85Å; L240-F306 HydrophobicContact CD2-CD2 3.7Å; L240-F306 HydrophobicContact CD2-CE2 4.29Å; L240-F306 HydrophobicContact CG-CD2 3.82Å; L240-F306 HydrophobicContact CG-CE2 3.89Å; L240-M309 HydrophobicContact CD2-CE 4.05Å |
| 241 | V | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111 | D237 E238 Y243 F244 C245 L263 L266 H267 C270 | D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.44Å; D237-V241 PolarHBondContact O-N 3.24Å; E238-V241 PolarHBondContact O-N 3.19Å; E238-V241 VanDerWaalsContact O-N 3.1Å; V241-Y243 PolarHBondContact O-N 2.92Å; V241-F244 PolarHBondContact O-N 2.89Å; V241-C245 WeakPolarHBondContact O-CB 3.39Å; V241-C245 PolarHBondContact O-N 3.48Å; V241-C245 PolarHBondContact O-SG 3.16Å; V241-L263 HydrophobicContact CG1-CD1 3.64Å; V241-L266 HydrophobicContact CG1-CD2 4.13Å; V241-L266 HydrophobicContact CG1-CG 4.49Å; V241-L266 HydrophobicContact CG2-CG 4.44Å; V241-H267 HydrophobicContact CG2-CB 4.43Å; V241-H267 VanDerWaalsContact CG2-CE1 3.49Å; V241-H267 WeakPolarHBondContact CG2-CE1 3.24Å; V241-H267 WeakPolarHBondContact CG2-ND1 3.39Å; V241-C270 HydrophobicContact CG2-CB 3.98Å |
| 242 | D | 96.8 | Very high | 97 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.5 | -48 | 178.1 | -71.4 | -7.7 | 0 | 0 | 0 | 111.1 | E238 L240 C245 E246 R257 | E238-D242 WeakPolarHBondContact O-CB 3.5Å; E238-D242 VanDerWaalsContact O-CG 3.24Å; E238-D242 PolarHBondContact O-N 3.41Å; L240-D242 VanDerWaalsContact C-N 3.34Å; L240-D242 PolarHBondContact O-N 2.72Å; D242-C245 PolarHBondContact O-N 3.03Å; D242-E246 PolarHBondContact O-N 3.11Å; D242-R257 IonicContact OD1-CZ 3.66Å; D242-R257 IonicContact OD1-NH1 2.71Å; D242-R257 IonicContact OD1-NH2 3.52Å; D242-R257 PolarHBondContact OD1-NH2 2.86Å |
| 243 | Y | 97.8 | Very high | 97 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.6 | -53 | 176.6 | 173.6 | -91.9 | 0 | 0 | 0 | 112 | A239 L240 V241 C245 E246 E247 M301 H305 M309 | A239-Y243 WeakPolarHBondContact O-CB 3.27Å; A239-Y243 PolarHBondContact O-N 3.29Å; A239-Y243 VanDerWaalsContact O-N 3.12Å; L240-Y243 PolarHBondContact O-N 3.43Å; V241-Y243 PolarHBondContact O-N 2.92Å; Y243-C245 VanDerWaalsContact C-N 3.34Å; Y243-C245 PolarHBondContact O-N 2.91Å; Y243-E246 PolarHBondContact O-N 2.75Å; Y243-E247 PolarHBondContact O-N 2.92Å; Y243-M301 HydrophobicContact CD1-CE 3.56Å; Y243-M301 HydrophobicContact CE1-CE 3.41Å; Y243-M301 VanDerWaalsContact CE1-CE 3.41Å; Y243-M301 HydrophobicContact CG-CE 4.23Å; Y243-H305 AromaticContact CE2-NE2 3.5Å; Y243-H305 AromaticContact CZ-NE2 3.94Å; Y243-M309 HydrophobicContact CD2-CE 4.41Å; Y243-M309 HydrophobicContact CD2-SD 3.35Å; Y243-M309 WeakPolarHBondContact CD2-SD 3.26Å; Y243-M309 HydrophobicContact CE2-SD 4.06Å; Y243-M309 HydrophobicContact CG-CE 4.28Å; Y243-M309 HydrophobicContact CG-SD 3.66Å |
| 244 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -29.1 | -177.5 | -72.1 | -60.2 | 0 | 0 | 0 | 112.8 | L240 V241 E247 F248 L266 L273 L286 M301 | L240-F244 HydrophobicContact CB-CE2 4.46Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 WeakPolarHBondContact O-CD2 3.49Å; L240-F244 PolarHBondContact O-N 2.8Å; V241-F244 PolarHBondContact O-N 2.89Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.08Å; F244-E247 PolarHBondContact O-N 2.89Å; F244-F248 HydrophobicContact CB-CD2 4.47Å; F244-F248 HydrophobicContact CB-CE2 4.07Å; F244-F248 HydrophobicContact CB-CZ 4.1Å; F244-F248 HydrophobicContact CD1-CE1 4.14Å; F244-F248 HydrophobicContact CD1-CZ 4.07Å; F244-F248 HydrophobicContact CG-CZ 4.34Å; F244-F248 VanDerWaalsContact O-CB 3.26Å; F244-F248 WeakPolarHBondContact O-CB 3.42Å; F244-F248 WeakPolarHBondContact O-CD2 3.34Å; F244-F248 WeakPolarHBondContact O-CG 3.16Å; F244-F248 PolarHBondContact O-N 2.95Å; F244-L266 HydrophobicContact CB-CD1 4.02Å; F244-L266 HydrophobicContact CB-CD2 4.14Å; F244-L273 HydrophobicContact CE2-CD2 3.73Å; F244-L273 HydrophobicContact CZ-CD2 3.86Å; F244-L286 HydrophobicContact CD2-CD1 3.99Å; F244-L286 HydrophobicContact CE2-CD1 3.7Å; F244-L286 HydrophobicContact CZ-CB 4.37Å; F244-L286 HydrophobicContact CZ-CD1 4.02Å; F244-M301 HydrophobicContact CE1-CE 4.46Å; F244-M301 HydrophobicContact CE2-CE 4.43Å; F244-M301 HydrophobicContact CZ-CB 4.22Å; F244-M301 HydrophobicContact CZ-CE 3.93Å |
| 245 | C | 97.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 171.6 | -75 | 0 | 0 | 0 | 0 | 111.1 | V241 D242 Y243 K249 | V241-C245 WeakPolarHBondContact O-CB 3.39Å; V241-C245 PolarHBondContact O-N 3.48Å; V241-C245 PolarHBondContact O-SG 3.16Å; D242-C245 PolarHBondContact O-N 3.03Å; Y243-C245 VanDerWaalsContact C-N 3.34Å; Y243-C245 PolarHBondContact O-N 2.91Å; C245-K249 VanDerWaalsContact O-CB 3.26Å; C245-K249 WeakPolarHBondContact O-CB 3.46Å; C245-K249 PolarHBondContact O-N 3.34Å |
| 246 | E | 97.6 | Very high | 96.7 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.4 | -37.8 | 178.4 | -68.1 | -54.8 | 138.2 | 0 | 0 | 112.3 | D242 Y243 T250 | D242-E246 PolarHBondContact O-N 3.11Å; Y243-E246 PolarHBondContact O-N 2.75Å; E246-T250 WeakPolarHBondContact O-CB 3.43Å; E246-T250 PolarHBondContact O-N 3.2Å; E246-T250 PolarHBondContact O-OG1 2.72Å |
| 247 | E | 97.1 | Very high | 96.5 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.9 | -168.1 | -169.8 | 175.6 | 0 | 0 | 110.7 | Y243 F244 K249 T250 K251 S299 | Y243-E247 PolarHBondContact O-N 2.92Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.08Å; F244-E247 PolarHBondContact O-N 2.89Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.12Å; E247-T250 PolarHBondContact O-N 3.05Å; E247-T250 VanDerWaalsContact O-N 3.09Å; E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.37Å; E247-K251 PolarHBondContact O-N 2.81Å; E247-S299 PolarHBondContact OE1-OG 3.48Å; E247-S299 WeakPolarHBondContact OE2-CB 3.45Å; E247-S299 PolarHBondContact OE2-OG 3.15Å |
| 248 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.8 | -31.7 | -176.8 | -62.7 | -13.8 | 0 | 0 | 0 | 113 | F244 T250 Y252 K253 L254 V256 L266 L286 F291 V297 | F244-F248 HydrophobicContact CB-CD2 4.47Å; F244-F248 HydrophobicContact CB-CE2 4.07Å; F244-F248 HydrophobicContact CB-CZ 4.1Å; F244-F248 HydrophobicContact CD1-CE1 4.14Å; F244-F248 HydrophobicContact CD1-CZ 4.07Å; F244-F248 HydrophobicContact CG-CZ 4.34Å; F244-F248 VanDerWaalsContact O-CB 3.26Å; F244-F248 WeakPolarHBondContact O-CB 3.42Å; F244-F248 WeakPolarHBondContact O-CD2 3.34Å; F244-F248 WeakPolarHBondContact O-CG 3.16Å; F244-F248 PolarHBondContact O-N 2.95Å; F248-T250 VanDerWaalsContact C-N 3.28Å; F248-T250 PolarHBondContact O-N 2.92Å; F248-Y252 HydrophobicContact CB-CD2 4.15Å; F248-Y252 AromaticContact CD1-CD2 3.69Å; F248-Y252 HydrophobicContact CD1-CD2 3.69Å; F248-Y252 AromaticContact CD1-CE2 3.7Å; F248-Y252 HydrophobicContact CD1-CE2 3.7Å; F248-Y252 HydrophobicContact CE1-CD2 4.44Å; F248-Y252 HydrophobicContact CE1-CE2 4.03Å; F248-Y252 HydrophobicContact CG-CD2 4.12Å; F248-Y252 CarbonylContact O-C 3.45Å; F248-Y252 WeakPolarHBondContact O-CA 3.32Å; F248-Y252 WeakPolarHBondContact O-CB 3.41Å; F248-Y252 PolarHBondContact O-N 3.29Å; F248-K253 PolarHBondContact O-N 3.04Å; F248-L254 PolarHBondContact O-N 3.29Å; F248-V256 HydrophobicContact CB-CG2 4.29Å; F248-V256 HydrophobicContact CD2-CG2 4.16Å; F248-L266 HydrophobicContact CE2-CD1 4.03Å; F248-L286 HydrophobicContact CE2-CD2 4.42Å; F248-L286 HydrophobicContact CZ-CD2 3.73Å; F248-F291 HydrophobicContact CD2-CD1 4.46Å; F248-F291 AromaticContact CD2-CE1 3.82Å; F248-F291 HydrophobicContact CD2-CE1 3.82Å; F248-F291 HydrophobicContact CD2-CZ 4.41Å; F248-F291 HydrophobicContact CE2-CE1 4.15Å; F248-F291 HydrophobicContact CE2-CZ 4.44Å; F248-V297 HydrophobicContact CD1-CB 4.4Å; F248-V297 HydrophobicContact CD2-CB 4.38Å; F248-V297 HydrophobicContact CD2-CG1 4.28Å; F248-V297 HydrophobicContact CD2-CG2 4.3Å; F248-V297 HydrophobicContact CE1-CB 4.05Å; F248-V297 HydrophobicContact CE1-CG2 4.43Å; F248-V297 HydrophobicContact CE2-CB 4.02Å; F248-V297 HydrophobicContact CE2-CG1 4.4Å; F248-V297 HydrophobicContact CE2-CG2 3.65Å; F248-V297 HydrophobicContact CG-CG1 4.34Å; F248-V297 HydrophobicContact CZ-CB 3.84Å; F248-V297 HydrophobicContact CZ-CG2 3.72Å |
| 249 | K | 96.5 | Very high | 96.1 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 169.1 | -174.6 | 178.7 | 178.7 | -176.3 | 0 | 111.8 | C245 E247 K253 L254 | C245-K249 VanDerWaalsContact O-CB 3.26Å; C245-K249 WeakPolarHBondContact O-CB 3.46Å; C245-K249 PolarHBondContact O-N 3.34Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.12Å; K249-K253 VanDerWaalsContact O-CA 3.28Å; K249-K253 WeakPolarHBondContact O-CA 3.26Å; K249-K253 PolarHBondContact O-N 3.26Å; K249-L254 VanDerWaalsContact CA-O 3.25Å; K249-L254 WeakPolarHBondContact CA-O 3.14Å; K249-L254 PolarHBondContact N-O 3Å |
| 250 | T | 96.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -78.3 | -50.6 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 112 | E246 E247 F248 K253 | E246-T250 WeakPolarHBondContact O-CB 3.43Å; E246-T250 PolarHBondContact O-N 3.2Å; E246-T250 PolarHBondContact O-OG1 2.72Å; E247-T250 PolarHBondContact O-N 3.05Å; E247-T250 VanDerWaalsContact O-N 3.09Å; F248-T250 VanDerWaalsContact C-N 3.28Å; F248-T250 PolarHBondContact O-N 2.92Å; T250-K253 PolarHBondContact O-NZ 3.42Å |
| 251 | K | 96.6 | Very high | 95.7 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -79.4 | -45 | -171.7 | -174.8 | 175.8 | 178.9 | -177 | 0 | 113.3 | E247 S298 | E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.37Å; E247-K251 PolarHBondContact O-N 2.81Å; K251-S298 PolarHBondContact NZ-O 3Å |
| 252 | Y | 95.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 64 Ų | 64 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -3.9 | -175 | -57.1 | -74.4 | 0 | 0 | 0 | 113.5 | F248 L254 I295 V297 S298 | F248-Y252 HydrophobicContact CB-CD2 4.15Å; F248-Y252 AromaticContact CD1-CD2 3.69Å; F248-Y252 HydrophobicContact CD1-CD2 3.69Å; F248-Y252 AromaticContact CD1-CE2 3.7Å; F248-Y252 HydrophobicContact CD1-CE2 3.7Å; F248-Y252 HydrophobicContact CE1-CD2 4.44Å; F248-Y252 HydrophobicContact CE1-CE2 4.03Å; F248-Y252 HydrophobicContact CG-CD2 4.12Å; F248-Y252 CarbonylContact O-C 3.45Å; F248-Y252 WeakPolarHBondContact O-CA 3.32Å; F248-Y252 WeakPolarHBondContact O-CB 3.41Å; F248-Y252 PolarHBondContact O-N 3.29Å; Y252-L254 PolarHBondContact O-N 3.43Å; Y252-I295 HydrophobicContact CD1-CG2 4.17Å; Y252-V297 HydrophobicContact CD2-CB 4.23Å; Y252-V297 HydrophobicContact CD2-CG1 3.72Å; Y252-V297 HydrophobicContact CE2-CB 3.91Å; Y252-V297 HydrophobicContact CE2-CG1 3.91Å; Y252-V297 HydrophobicContact CG-CG1 4.11Å; Y252-S298 PolarHBondContact OH-N 3.35Å; Y252-S298 PolarHBondContact OH-O 3.26Å |
| 253 | K | 95.7 | Very high | 95.5 | Very high | 165 Ų | 165 | 62.8 Ų | 62.8 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | trans | 58.6 | 28.3 | -173.8 | -50.9 | -53.8 | -176.6 | -158.3 | 0 | 113.3 | F248 K249 T250 | F248-K253 PolarHBondContact O-N 3.04Å; K249-K253 VanDerWaalsContact O-CA 3.28Å; K249-K253 WeakPolarHBondContact O-CA 3.26Å; K249-K253 PolarHBondContact O-N 3.26Å; T250-K253 PolarHBondContact O-NZ 3.42Å | ||
| 254 | L | 94.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -98.8 | 123.8 | 179.2 | -59.9 | 172.9 | 0 | 0 | 0 | 110.6 | F248 K249 Y252 V256 F291 M292 I295 V297 | F248-L254 PolarHBondContact O-N 3.29Å; K249-L254 VanDerWaalsContact CA-O 3.25Å; K249-L254 WeakPolarHBondContact CA-O 3.14Å; K249-L254 PolarHBondContact N-O 3Å; Y252-L254 PolarHBondContact O-N 3.43Å; L254-V256 PolarHBondContact O-N 3.21Å; L254-F291 HydrophobicContact CD1-CD1 4.36Å; L254-M292 HydrophobicContact CB-CE 4.35Å; L254-M292 HydrophobicContact CD1-CB 4.4Å; L254-M292 HydrophobicContact CD2-CB 4.4Å; L254-M292 HydrophobicContact CD2-CE 4.04Å; L254-I295 HydrophobicContact CD1-CB 4.25Å; L254-I295 HydrophobicContact CD1-CG2 4.1Å; L254-I295 HydrophobicContact CD2-CD1 3.94Å; L254-V297 HydrophobicContact CD1-CG1 3.91Å | ||
| 255 | N | 94.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | trans | -92.5 | 92.2 | 170 | -167.2 | 2.5 | 0 | 0 | 0 | 110.3 | R257 D258 | N255-R257 VanDerWaalsContact C-N 3.27Å; N255-R257 PolarHBondContact O-N 2.88Å; N255-D258 WeakPolarHBondContact CB-OD2 3.36Å; N255-D258 VanDerWaalsContact CG-OD2 3.25Å; N255-D258 PolarHBondContact ND2-OD1 2.64Å; N255-D258 VanDerWaalsContact ND2-OD1 3.15Å; N255-D258 PolarHBondContact ND2-OD2 3.18Å; N255-D258 PolarHBondContact O-N 2.75Å | ||
| 256 | V | 94.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -62.3 | -34.4 | -174 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | F248 L254 D258 N259 A262 L263 L266 F291 | F248-V256 HydrophobicContact CB-CG2 4.29Å; F248-V256 HydrophobicContact CD2-CG2 4.16Å; L254-V256 PolarHBondContact O-N 3.21Å; V256-D258 PolarHBondContact O-N 2.85Å; V256-N259 PolarHBondContact O-N 2.83Å; V256-N259 VanDerWaalsContact O-O 3.13Å; V256-A262 HydrophobicContact CG1-CB 4.17Å; V256-L263 HydrophobicContact CG1-CB 4.27Å; V256-L263 HydrophobicContact CG1-CD1 4.24Å; V256-L266 HydrophobicContact CG1-CD2 4.09Å; V256-F291 HydrophobicContact CB-CE1 4.44Å; V256-F291 HydrophobicContact CB-CZ 4.46Å; V256-F291 HydrophobicContact CG1-CE1 4.03Å; V256-F291 HydrophobicContact CG1-CZ 3.59Å; V256-F291 HydrophobicContact CG2-CE1 3.61Å; V256-F291 HydrophobicContact CG2-CZ 4.01Å |
| 257 | R | 92.9 | Very high | 95.2 | Very high | 113 Ų | 113 | 61 Ų | 61 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -66.5 | -21.2 | -176.7 | -66 | -163.6 | -175.3 | -98.2 | 4.7 | 113.6 | E238 D242 N255 N259 | E238-R257 IonicContact OE1-NH1 3.95Å; D242-R257 IonicContact OD1-CZ 3.66Å; D242-R257 IonicContact OD1-NH1 2.71Å; D242-R257 IonicContact OD1-NH2 3.52Å; D242-R257 PolarHBondContact OD1-NH2 2.86Å; N255-R257 VanDerWaalsContact C-N 3.27Å; N255-R257 PolarHBondContact O-N 2.88Å; R257-N259 PolarHBondContact O-N 2.83Å |
| 258 | D | 92.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 62 Ų | 62 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -77.5 | -14.3 | 177.5 | -60.9 | -14.8 | 0 | 0 | 0 | 112 | N255 V256 | N255-D258 WeakPolarHBondContact CB-OD2 3.36Å; N255-D258 VanDerWaalsContact CG-OD2 3.25Å; N255-D258 PolarHBondContact ND2-OD1 2.64Å; N255-D258 VanDerWaalsContact ND2-OD1 3.15Å; N255-D258 PolarHBondContact ND2-OD2 3.18Å; N255-D258 PolarHBondContact O-N 2.75Å; V256-D258 PolarHBondContact O-N 2.85Å |
| 259 | N | 93.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | trans | -119.7 | 100.8 | -179.8 | -173 | -30.7 | 0 | 0 | 0 | 111.1 | V256 R257 R261 A262 L263 M292 | V256-N259 PolarHBondContact O-N 2.83Å; V256-N259 VanDerWaalsContact O-O 3.13Å; R257-N259 PolarHBondContact O-N 2.83Å; N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 VanDerWaalsContact O-N 3.16Å; N259-R261 WeakPolarHBondContact OD1-CB 3.47Å; N259-R261 PolarHBondContact OD1-N 2.98Å; N259-R261 VanDerWaalsContact OD1-N 3.07Å; N259-A262 HydrophobicContact CB-CB 3.94Å; N259-A262 PolarHBondContact O-N 2.95Å; N259-A262 VanDerWaalsContact O-N 3.13Å; N259-A262 PolarHBondContact OD1-N 2.85Å; N259-L263 PolarHBondContact O-N 3.27Å; N259-M292 HydrophobicContact CB-SD 3.78Å | ||
| 260 | P | 92.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56 | -34.4 | -179 | -28.1 | 35.2 | 0 | 0 | 0 | 114.4 | F60 L264 | F60-P260 HydrophobicContact CD2-CB 4.11Å; F60-P260 HydrophobicContact CE2-CB 3.72Å; F60-P260 HydrophobicContact CE2-CG 4.13Å; F60-P260 HydrophobicContact CZ-CB 4.04Å; F60-P260 HydrophobicContact CZ-CG 4.31Å; P260-L264 WeakPolarHBondContact O-CB 3.34Å; P260-L264 VanDerWaalsContact O-CG 3.24Å; P260-L264 WeakPolarHBondContact O-CG 3.5Å; P260-L264 PolarHBondContact O-N 3.47Å |
| 261 | R | 93.6 | Very high | 95.2 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | 179 | -70.6 | -178 | 170.6 | 170.5 | -1.7 | 111.4 | I57 T58 F60 N259 L263 L264 R265 | I57-R261 HydrophobicContact CG2-CB 4.25Å; I57-R261 HydrophobicContact CG2-CG 4.3Å; T58-R261 PolarHBondContact O-NH2 3.33Å; F60-R261 HydrophobicContact CD1-CG 4.07Å; F60-R261 HydrophobicContact CE1-CG 4.15Å; N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 VanDerWaalsContact O-N 3.16Å; N259-R261 WeakPolarHBondContact OD1-CB 3.47Å; N259-R261 PolarHBondContact OD1-N 2.98Å; N259-R261 VanDerWaalsContact OD1-N 3.07Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-L264 PolarHBondContact O-N 3.03Å; R261-R265 WeakPolarHBondContact O-CG 3.4Å; R261-R265 PolarHBondContact O-N 3.39Å |
| 262 | A | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V256 N259 L264 R265 L266 F291 M292 | V256-A262 HydrophobicContact CG1-CB 4.17Å; N259-A262 HydrophobicContact CB-CB 3.94Å; N259-A262 PolarHBondContact O-N 2.95Å; N259-A262 VanDerWaalsContact O-N 3.13Å; N259-A262 PolarHBondContact OD1-N 2.85Å; A262-L264 PolarHBondContact O-N 3.48Å; A262-R265 PolarHBondContact O-N 2.85Å; A262-L266 PolarHBondContact O-N 2.66Å; A262-F291 HydrophobicContact CB-CE1 4.45Å; A262-F291 HydrophobicContact CB-CE2 4.07Å; A262-F291 HydrophobicContact CB-CZ 4.03Å; A262-F291 WeakPolarHBondContact O-CE2 3.5Å; A262-M292 HydrophobicContact CB-CB 4.44Å; A262-M292 HydrophobicContact CB-SD 4.46Å |
| 263 | L | 95.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.183 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.8 | -173.6 | 61.9 | 0 | 0 | 0 | 112.2 | V241 V256 N259 R261 R265 L266 H267 | V241-L263 HydrophobicContact CG1-CD1 3.64Å; V256-L263 HydrophobicContact CG1-CB 4.27Å; V256-L263 HydrophobicContact CG1-CD1 4.24Å; N259-L263 PolarHBondContact O-N 3.27Å; R261-L263 VanDerWaalsContact C-N 3.35Å; L263-R265 PolarHBondContact O-N 2.98Å; L263-L266 WeakPolarHBondContact O-CB 3.45Å; L263-L266 PolarHBondContact O-N 3.26Å; L263-H267 PolarHBondContact O-CD2 3.16Å; L263-H267 PolarHBondContact O-N 3.48Å |
| 264 | L | 95.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.8 | -73 | 168.1 | 0 | 0 | 0 | 112.8 | V56 I57 F60 P88 P260 R261 A262 L266 H267 Q268 | V56-L264 HydrophobicContact CG1-CD1 4.36Å; V56-L264 HydrophobicContact CG1-CD2 4.15Å; V56-L264 WeakPolarHBondContact O-CD1 3.36Å; I57-L264 HydrophobicContact CG1-CB 4.36Å; F60-L264 HydrophobicContact CB-CD1 3.54Å; F60-L264 HydrophobicContact CG-CD1 4.32Å; P88-L264 HydrophobicContact CB-CD1 4.14Å; P88-L264 HydrophobicContact CG-CD2 4.37Å; P260-L264 WeakPolarHBondContact O-CB 3.34Å; P260-L264 VanDerWaalsContact O-CG 3.24Å; P260-L264 WeakPolarHBondContact O-CG 3.5Å; P260-L264 PolarHBondContact O-N 3.47Å; R261-L264 PolarHBondContact O-N 3.03Å; A262-L264 PolarHBondContact O-N 3.48Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-H267 PolarHBondContact O-N 2.91Å; L264-Q268 WeakPolarHBondContact O-CG 3.4Å; L264-Q268 PolarHBondContact O-N 3.02Å; L264-Q268 VanDerWaalsContact O-N 3.15Å |
| 265 | R | 96 | Very high | 95.6 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 172.7 | -72.6 | 175.8 | 74.1 | -170.2 | 1.5 | 111.1 | I57 R261 A262 L263 H267 Q268 E269 E289 C290 F291 | I57-R265 HydrophobicContact CD1-CG 3.58Å; I57-R265 HydrophobicContact CG1-CG 4.22Å; I57-R265 HydrophobicContact CG2-CG 4.38Å; R261-R265 WeakPolarHBondContact O-CG 3.4Å; R261-R265 PolarHBondContact O-N 3.39Å; A262-R265 PolarHBondContact O-N 2.85Å; L263-R265 PolarHBondContact O-N 2.98Å; R265-H267 PolarHBondContact O-N 3.36Å; R265-Q268 PolarHBondContact O-N 2.86Å; R265-E269 PolarHBondContact O-N 3.34Å; R265-E269 VanDerWaalsContact O-N 3.13Å; R265-E289 PolarHBondContact NH2-O 3.45Å; R265-C290 PolarHBondContact NH1-O 3.21Å; R265-F291 HydrophobicContact CB-CE2 4.38Å |
| 266 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.9 | -176.5 | 57.6 | 0 | 0 | 0 | 111.8 | V241 F244 F248 V256 A262 L263 L264 Q268 E269 C270 L286 I288 F291 | V241-L266 HydrophobicContact CG1-CD2 4.13Å; V241-L266 HydrophobicContact CG1-CG 4.49Å; V241-L266 HydrophobicContact CG2-CG 4.44Å; F244-L266 HydrophobicContact CB-CD1 4.02Å; F244-L266 HydrophobicContact CB-CD2 4.14Å; F248-L266 HydrophobicContact CE2-CD1 4.03Å; V256-L266 HydrophobicContact CG1-CD2 4.09Å; A262-L266 PolarHBondContact O-N 2.66Å; L263-L266 WeakPolarHBondContact O-CB 3.45Å; L263-L266 PolarHBondContact O-N 3.26Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 3.17Å; L266-E269 PolarHBondContact O-N 3.25Å; L266-C270 WeakPolarHBondContact O-CB 3.49Å; L266-C270 PolarHBondContact O-N 3.45Å; L266-C270 PolarHBondContact O-SG 2.59Å; L266-L286 HydrophobicContact CD1-CD1 4.49Å; L266-I288 HydrophobicContact CD1-CD1 4.09Å; L266-F291 HydrophobicContact CB-CE2 4.07Å; L266-F291 HydrophobicContact CB-CZ 3.99Å; L266-F291 HydrophobicContact CD2-CZ 4.43Å |
| 267 | H | 96 | Very high | 95.8 | Very high | 53 Ų | 53 | 54 Ų | 54 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 174.1 | -82.3 | -73 | 0 | 0 | 0 | 112.7 | E238 V241 L263 L264 R265 E269 C270 E271 | E238-H267 IonicContact OE2-CE1 2.59Å; E238-H267 PolarHBondContact OE2-CE1 2.7Å; V241-H267 HydrophobicContact CG2-CB 4.43Å; V241-H267 VanDerWaalsContact CG2-CE1 3.49Å; V241-H267 WeakPolarHBondContact CG2-CE1 3.24Å; V241-H267 WeakPolarHBondContact CG2-ND1 3.39Å; L263-H267 PolarHBondContact O-CD2 3.16Å; L263-H267 PolarHBondContact O-N 3.48Å; L264-H267 PolarHBondContact O-N 2.91Å; R265-H267 PolarHBondContact O-N 3.36Å; H267-E269 VanDerWaalsContact C-N 3.35Å; H267-E269 PolarHBondContact O-N 3.06Å; H267-C270 PolarHBondContact O-N 3.06Å; H267-E271 WeakPolarHBondContact O-CB 3.29Å; H267-E271 PolarHBondContact O-N 2.7Å |
| 268 | Q | 95.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 50 Ų | 50 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.5 | -70.8 | -179.9 | -8.4 | 0 | 0 | 112 | L264 R265 L266 K272 | L264-Q268 WeakPolarHBondContact O-CG 3.4Å; L264-Q268 PolarHBondContact O-N 3.02Å; L264-Q268 VanDerWaalsContact O-N 3.15Å; R265-Q268 PolarHBondContact O-N 2.86Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 3.17Å; Q268-K272 WeakPolarHBondContact O-CG 3.37Å; Q268-K272 PolarHBondContact O-N 3Å |
| 269 | E | 97.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.7 | -37.7 | 178.5 | -63.3 | -51 | 129.5 | 0 | 0 | 112.5 | R265 L266 H267 E271 K272 L273 L286 I288 | R265-E269 PolarHBondContact O-N 3.34Å; R265-E269 VanDerWaalsContact O-N 3.13Å; L266-E269 PolarHBondContact O-N 3.25Å; H267-E269 VanDerWaalsContact C-N 3.35Å; H267-E269 PolarHBondContact O-N 3.06Å; E269-E271 PolarHBondContact O-N 3.32Å; E269-K272 PolarHBondContact O-N 2.77Å; E269-K272 IonicContact OE1-NZ 3.81Å; E269-K272 PolarHBondContact OE1-NZ 3.48Å; E269-K272 IonicContact OE2-NZ 3.59Å; E269-L273 VanDerWaalsContact O-CB 3.29Å; E269-L273 WeakPolarHBondContact O-CB 3.24Å; E269-L273 PolarHBondContact O-N 3.42Å; E269-L286 HydrophobicContact CB-CD1 4.19Å; E269-I288 HydrophobicContact CB-CD1 3.92Å; E269-I288 HydrophobicContact CB-CG1 4.42Å; E269-I288 HydrophobicContact CG-CD1 3.68Å; E269-I288 HydrophobicContact CG-CG1 3.93Å |
| 270 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 173.3 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | L240 V241 L266 H267 L273 K274 | L240-C270 HydrophobicContact CB-CB 3.85Å; L240-C270 HydrophobicContact CD1-CB 4.36Å; V241-C270 HydrophobicContact CG2-CB 3.98Å; L266-C270 WeakPolarHBondContact O-CB 3.49Å; L266-C270 PolarHBondContact O-N 3.45Å; L266-C270 PolarHBondContact O-SG 2.59Å; H267-C270 PolarHBondContact O-N 3.06Å; C270-L273 PolarHBondContact O-N 2.92Å; C270-K274 WeakPolarHBondContact O-CB 3.38Å; C270-K274 PolarHBondContact O-N 2.71Å |
| 271 | E | 96.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.2 | -171.3 | -165.8 | 165.7 | 0 | 0 | 111.5 | Q11 D237 H267 E269 K275 | Q11-E271 PolarHBondContact NE2-OE1 3.24Å; Q11-E271 PolarHBondContact NE2-OE2 2.78Å; Q11-E271 VanDerWaalsContact NE2-OE2 3.09Å; D237-E271 WeakPolarHBondContact OD1-CA 3.09Å; H267-E271 WeakPolarHBondContact O-CB 3.29Å; H267-E271 PolarHBondContact O-N 2.7Å; E269-E271 PolarHBondContact O-N 3.32Å; E271-K275 WeakPolarHBondContact O-CG 3.31Å; E271-K275 PolarHBondContact O-N 3.35Å; E271-K275 VanDerWaalsContact O-N 3.17Å; E271-K275 VanDerWaalsContact OE1-CE 3.24Å; E271-K275 WeakPolarHBondContact OE1-CE 3.31Å; E271-K275 IonicContact OE1-NZ 3.89Å; E271-K275 PolarHBondContact OE1-NZ 2.86Å |
| 272 | K | 96.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.5 | -71.3 | 171.3 | -172.6 | 170.9 | 0 | 110.9 | Q268 E269 K274 K275 L276 | Q268-K272 WeakPolarHBondContact O-CG 3.37Å; Q268-K272 PolarHBondContact O-N 3Å; E269-K272 PolarHBondContact O-N 2.77Å; E269-K272 IonicContact OE1-NZ 3.81Å; E269-K272 PolarHBondContact OE1-NZ 3.48Å; E269-K272 IonicContact OE2-NZ 3.59Å; K272-K274 PolarHBondContact O-N 3.38Å; K272-K275 WeakPolarHBondContact O-CB 3.32Å; K272-K275 PolarHBondContact O-N 2.82Å; K272-K275 VanDerWaalsContact O-N 3.15Å; K272-L276 WeakPolarHBondContact O-CG 3.21Å; K272-L276 PolarHBondContact O-N 2.77Å |
| 273 | L | 97.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 179.4 | -178.4 | 62.3 | 0 | 0 | 0 | 111.7 | F244 E269 C270 K275 L276 M277 L284 L286 M301 | F244-L273 HydrophobicContact CE2-CD2 3.73Å; F244-L273 HydrophobicContact CZ-CD2 3.86Å; E269-L273 VanDerWaalsContact O-CB 3.29Å; E269-L273 WeakPolarHBondContact O-CB 3.24Å; E269-L273 PolarHBondContact O-N 3.42Å; C270-L273 PolarHBondContact O-N 2.92Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.01Å; L273-L276 PolarHBondContact O-N 3.45Å; L273-M277 HydrophobicContact CG-CE 4.21Å; L273-M277 WeakPolarHBondContact O-CG 3.44Å; L273-M277 PolarHBondContact O-N 3.15Å; L273-L284 HydrophobicContact CD1-CB 3.68Å; L273-L284 HydrophobicContact CD1-CD1 4.28Å; L273-L286 HydrophobicContact CD2-CB 4.28Å; L273-L286 HydrophobicContact CD2-CD1 3.85Å; L273-M301 HydrophobicContact CD1-CB 4.47Å; L273-M301 HydrophobicContact CD2-CB 3.82Å; L273-M301 HydrophobicContact CD2-CG 4.41Å; L273-M301 HydrophobicContact CG-CB 4.44Å |
| 274 | K | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -44.9 | 173.8 | -178 | -170.8 | 72.6 | -162.7 | 0 | 112.4 | G233 F236 D237 L240 C270 K272 M277 S278 F306 I347 | G233-K274 PolarHBondContact O-NZ 3.07Å; F236-K274 HydrophobicContact CB-CD 3.79Å; D237-K274 VanDerWaalsContact OD1-CD 3.26Å; D237-K274 WeakPolarHBondContact OD1-CD 2.91Å; D237-K274 WeakPolarHBondContact OD1-CE 3.36Å; D237-K274 IonicContact OD1-NZ 3.6Å; D237-K274 PolarHBondContact OD1-NZ 3.46Å; D237-K274 IonicContact OD2-NZ 2.64Å; D237-K274 PolarHBondContact OD2-NZ 2.84Å; L240-K274 HydrophobicContact CD1-CB 3.99Å; C270-K274 WeakPolarHBondContact O-CB 3.38Å; C270-K274 PolarHBondContact O-N 2.71Å; K272-K274 PolarHBondContact O-N 3.38Å; K274-M277 PolarHBondContact O-N 2.89Å; K274-S278 PolarHBondContact O-N 2.95Å; K274-S278 PolarHBondContact O-OG 3.46Å; K274-F306 HydrophobicContact CD-CZ 4.42Å; K274-F306 HydrophobicContact CG-CE1 4.48Å; K274-F306 HydrophobicContact CG-CZ 3.89Å; K274-I347 HydrophobicContact CD-CD1 4.47Å |
| 275 | K | 97 | Very high | 96.4 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 178 | -70.4 | 173.4 | -174.6 | 171.5 | 0 | 111.3 | E271 K272 L273 M277 S278 | E271-K275 WeakPolarHBondContact O-CG 3.31Å; E271-K275 PolarHBondContact O-N 3.35Å; E271-K275 VanDerWaalsContact O-N 3.17Å; E271-K275 VanDerWaalsContact OE1-CE 3.24Å; E271-K275 WeakPolarHBondContact OE1-CE 3.31Å; E271-K275 IonicContact OE1-NZ 3.89Å; E271-K275 PolarHBondContact OE1-NZ 2.86Å; K272-K275 WeakPolarHBondContact O-CB 3.32Å; K272-K275 PolarHBondContact O-N 2.82Å; K272-K275 VanDerWaalsContact O-N 3.15Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.01Å; K275-M277 VanDerWaalsContact C-N 3.32Å; K275-M277 PolarHBondContact O-N 2.86Å; K275-S278 WeakPolarHBondContact O-CB 3.49Å; K275-S278 PolarHBondContact O-N 3.29Å; K275-S278 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 97.2 | Very high | 96.5 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.8 | -68.4 | 171.9 | 0 | 0 | 0 | 112 | K272 L273 S278 A279 N280 L284 | K272-L276 WeakPolarHBondContact O-CG 3.21Å; K272-L276 PolarHBondContact O-N 2.77Å; L273-L276 PolarHBondContact O-N 3.45Å; L276-S278 PolarHBondContact O-N 3.05Å; L276-A279 PolarHBondContact O-N 3.29Å; L276-A279 VanDerWaalsContact O-N 3.15Å; L276-N280 PolarHBondContact O-N 3.13Å; L276-N280 PolarHBondContact O-ND2 3.09Å; L276-L284 HydrophobicContact CB-CD1 3.63Å |
| 277 | M | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -23.9 | 175.6 | -74 | -171.7 | -63.2 | 0 | 0 | 113.3 | L240 L273 K274 K275 A279 N280 L284 M301 R303 F306 | L240-M277 HydrophobicContact CD1-CE 3.93Å; L240-M277 HydrophobicContact CD2-CE 4.2Å; L273-M277 HydrophobicContact CG-CE 4.21Å; L273-M277 WeakPolarHBondContact O-CG 3.44Å; L273-M277 PolarHBondContact O-N 3.15Å; K274-M277 PolarHBondContact O-N 2.89Å; K275-M277 VanDerWaalsContact C-N 3.32Å; K275-M277 PolarHBondContact O-N 2.86Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 2.94Å; M277-N280 CarbonylContact C-O 3.58Å; M277-N280 WeakPolarHBondContact CA-O 3.45Å; M277-L284 HydrophobicContact CB-CD1 4.39Å; M277-L284 HydrophobicContact CG-CD1 3.65Å; M277-M301 HydrophobicContact CE-CG 4.13Å; M277-M301 HydrophobicContact SD-CB 4.28Å; M277-M301 HydrophobicContact SD-CG 3.53Å; M277-M301 VanDerWaalsContact SD-CG 3.53Å; M277-R303 VanDerWaalsContact O-CZ 3.23Å; M277-R303 PolarHBondContact O-NE 3.41Å; M277-R303 PolarHBondContact O-NH2 2.99Å; M277-F306 HydrophobicContact CE-CB 3.71Å; M277-F306 HydrophobicContact CE-CD1 3.69Å; M277-F306 HydrophobicContact CE-CD2 3.66Å; M277-F306 HydrophobicContact CE-CE1 4.18Å; M277-F306 HydrophobicContact CE-CE2 4.15Å; M277-F306 HydrophobicContact CE-CG 3.38Å; M277-F306 HydrophobicContact CE-CZ 4.38Å; M277-F306 HydrophobicContact SD-CB 3.62Å; M277-F306 HydrophobicContact SD-CD1 4.19Å; M277-F306 HydrophobicContact SD-CG 3.94Å |
| 278 | S | 95.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -30.8 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | K274 K275 L276 R303 | K274-S278 PolarHBondContact O-N 2.95Å; K274-S278 PolarHBondContact O-OG 3.46Å; K275-S278 WeakPolarHBondContact O-CB 3.49Å; K275-S278 PolarHBondContact O-N 3.29Å; K275-S278 VanDerWaalsContact O-N 3.12Å; L276-S278 PolarHBondContact O-N 3.05Å; S278-R303 PolarHBondContact O-NH2 3.08Å |
| 279 | A | 95.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 65% | 0.653 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -90.3 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L276 M277 R303 | L276-A279 PolarHBondContact O-N 3.29Å; L276-A279 VanDerWaalsContact O-N 3.15Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 2.94Å; A279-R303 PolarHBondContact O-NH2 3.41Å |
| 280 | N | 95.4 | Very high | 96 | Very high | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -115.9 | 136.1 | -172.7 | -55.4 | -74 | 0 | 0 | 0 | 111.4 | L276 M277 L284 R303 | L276-N280 PolarHBondContact O-N 3.13Å; L276-N280 PolarHBondContact O-ND2 3.09Å; M277-N280 CarbonylContact C-O 3.58Å; M277-N280 WeakPolarHBondContact CA-O 3.45Å; N280-L284 HydrophobicContact CB-CD1 4.4Å; N280-L284 HydrophobicContact CB-CD2 4.29Å; N280-R303 PolarHBondContact O-NH2 2.93Å | ||
| 281 | S | 93.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | trans | -95.6 | -15.1 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 282 | S | 94.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -71.2 | 171.2 | -179.3 | 58.5 | 0 | 0 | 0 | 0 | 113 | L284 | S282-L284 PolarHBondContact O-N 2.87Š|
| 283 | D | 95.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | trans | -59.2 | 126.3 | 169.7 | -74.1 | -34.2 | 0 | 0 | 0 | 110.8 | N302 | D283-N302 WeakPolarHBondContact OD1-CB 3.47Å; D283-N302 PolarHBondContact OD1-ND2 3.12Å | ||
| 284 | L | 97.3 | Very high | 95 | Very high | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.9 | 176.8 | -67.1 | 170.6 | 0 | 0 | 0 | 109.7 | L273 L276 M277 N280 S282 R300 M301 | L273-L284 HydrophobicContact CD1-CB 3.68Å; L273-L284 HydrophobicContact CD1-CD1 4.28Å; L276-L284 HydrophobicContact CB-CD1 3.63Å; M277-L284 HydrophobicContact CB-CD1 4.39Å; M277-L284 HydrophobicContact CG-CD1 3.65Å; N280-L284 HydrophobicContact CB-CD1 4.4Å; N280-L284 HydrophobicContact CB-CD2 4.29Å; S282-L284 PolarHBondContact O-N 2.87Å; L284-R300 CarbonylContact O-C 3.57Å; L284-R300 VanDerWaalsContact O-CA 3.23Å; L284-R300 WeakPolarHBondContact O-CA 3.36Å; L284-M301 PolarHBondContact N-O 2.79Å; L284-M301 PolarHBondContact O-N 2.57Å |
| 285 | P | 96.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 67.3 Ų | 67.3 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 148.2 | 179 | 32.4 | -34.4 | 0 | 0 | 0 | 112 | ||
| 286 | L | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.5 | 162.5 | -179.3 | 143.6 | 0 | 0 | 0 | 107.6 | F244 F248 L266 E269 L273 I288 S298 S299 | F244-L286 HydrophobicContact CD2-CD1 3.99Å; F244-L286 HydrophobicContact CE2-CD1 3.7Å; F244-L286 HydrophobicContact CZ-CB 4.37Å; F244-L286 HydrophobicContact CZ-CD1 4.02Å; F248-L286 HydrophobicContact CE2-CD2 4.42Å; F248-L286 HydrophobicContact CZ-CD2 3.73Å; L266-L286 HydrophobicContact CD1-CD1 4.49Å; E269-L286 HydrophobicContact CB-CD1 4.19Å; L273-L286 HydrophobicContact CD2-CB 4.28Å; L273-L286 HydrophobicContact CD2-CD1 3.85Å; L286-I288 HydrophobicContact CD2-CD1 4.08Å; L286-I288 HydrophobicContact CD2-CG1 4.04Å; L286-S298 CarbonylContact O-C 3.59Å; L286-S298 WeakPolarHBondContact O-CA 3.5Å; L286-S299 PolarHBondContact N-O 3.46Å; L286-S299 PolarHBondContact O-N 2.89Å |
| 287 | N | 96.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.6 | -178.5 | -61.1 | -35.9 | 0 | 0 | 0 | 108.6 | V297 S298 | N287-V297 WeakPolarHBondContact CA-O 3.43Å; N287-S298 VanDerWaalsContact OD1-CB 3.31Å; N287-S298 WeakPolarHBondContact OD1-CB 3.32Å; N287-S298 PolarHBondContact OD1-OG 3.45Å |
| 288 | I | 95.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.1 | 177.7 | -40.1 | -176.7 | 0 | 0 | 0 | 108.8 | L266 E269 L286 F291 V297 | L266-I288 HydrophobicContact CD1-CD1 4.09Å; E269-I288 HydrophobicContact CB-CD1 3.92Å; E269-I288 HydrophobicContact CB-CG1 4.42Å; E269-I288 HydrophobicContact CG-CD1 3.68Å; E269-I288 HydrophobicContact CG-CG1 3.93Å; L286-I288 HydrophobicContact CD2-CD1 4.08Å; L286-I288 HydrophobicContact CD2-CG1 4.04Å; I288-F291 HydrophobicContact CB-CB 4.3Å; I288-F291 HydrophobicContact CB-CD2 4.07Å; I288-F291 HydrophobicContact CB-CG 4.42Å; I288-F291 HydrophobicContact CD1-CD2 4.04Å; I288-F291 HydrophobicContact CD1-CE2 3.99Å; I288-F291 HydrophobicContact CG2-CB 4.24Å; I288-F291 HydrophobicContact CG2-CD2 3.71Å; I288-F291 HydrophobicContact CG2-CG 4.37Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.37Å; I288-V297 HydrophobicContact CG1-CG2 4.06Å; I288-V297 PolarHBondContact N-O 2.99Å; I288-V297 PolarHBondContact O-N 2.87Å |
| 289 | E | 94.7 | Very high | 94.7 | Very high | 148 Ų | 148 | 63.8 Ų | 63.8 | 69% | 0.692 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 146.3 | 179.2 | -64.4 | 175.5 | -176.1 | 0 | 0 | 111.6 | R265 F291 D296 | R265-E289 PolarHBondContact NH2-O 3.45Å; E289-F291 PolarHBondContact O-N 3.3Å; E289-F291 VanDerWaalsContact O-N 3.16Å; E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.43Å |
| 290 | C | 91.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 68.2 Ų | 68.2 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43.3 | 50.3 | -179.1 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | R265 D296 | R265-C290 PolarHBondContact NH1-O 3.21Å; C290-D296 PolarHBondContact N-OD1 3.47Å |
| 291 | F | 93.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -48.9 | -167.7 | 177.6 | -119.5 | 0 | 0 | 0 | 111.7 | F248 L254 V256 A262 R265 L266 I288 E289 I295 V297 | F248-F291 HydrophobicContact CD2-CD1 4.46Å; F248-F291 AromaticContact CD2-CE1 3.82Å; F248-F291 HydrophobicContact CD2-CE1 3.82Å; F248-F291 HydrophobicContact CD2-CZ 4.41Å; F248-F291 HydrophobicContact CE2-CE1 4.15Å; F248-F291 HydrophobicContact CE2-CZ 4.44Å; L254-F291 HydrophobicContact CD1-CD1 4.36Å; V256-F291 HydrophobicContact CB-CE1 4.44Å; V256-F291 HydrophobicContact CB-CZ 4.46Å; V256-F291 HydrophobicContact CG1-CE1 4.03Å; V256-F291 HydrophobicContact CG1-CZ 3.59Å; V256-F291 HydrophobicContact CG2-CE1 3.61Å; V256-F291 HydrophobicContact CG2-CZ 4.01Å; A262-F291 HydrophobicContact CB-CE1 4.45Å; A262-F291 HydrophobicContact CB-CE2 4.07Å; A262-F291 HydrophobicContact CB-CZ 4.03Å; A262-F291 WeakPolarHBondContact O-CE2 3.5Å; R265-F291 HydrophobicContact CB-CE2 4.38Å; L266-F291 HydrophobicContact CB-CE2 4.07Å; L266-F291 HydrophobicContact CB-CZ 3.99Å; L266-F291 HydrophobicContact CD2-CZ 4.43Å; I288-F291 HydrophobicContact CB-CB 4.3Å; I288-F291 HydrophobicContact CB-CD2 4.07Å; I288-F291 HydrophobicContact CB-CG 4.42Å; I288-F291 HydrophobicContact CD1-CD2 4.04Å; I288-F291 HydrophobicContact CD1-CE2 3.99Å; I288-F291 HydrophobicContact CG2-CB 4.24Å; I288-F291 HydrophobicContact CG2-CD2 3.71Å; I288-F291 HydrophobicContact CG2-CG 4.37Å; E289-F291 PolarHBondContact O-N 3.3Å; E289-F291 VanDerWaalsContact O-N 3.16Å; F291-I295 WeakPolarHBondContact CB-O 3.42Å; F291-I295 PolarHBondContact N-O 3.28Å; F291-V297 HydrophobicContact CB-CG1 4.18Å; F291-V297 HydrophobicContact CB-CG2 3.8Å; F291-V297 HydrophobicContact CD1-CB 4.4Å; F291-V297 HydrophobicContact CD1-CG1 3.71Å; F291-V297 HydrophobicContact CD1-CG2 3.75Å; F291-V297 HydrophobicContact CD2-CG2 4.36Å; F291-V297 HydrophobicContact CE1-CG2 4.39Å; F291-V297 HydrophobicContact CG-CG1 4.28Å; F291-V297 HydrophobicContact CG-CG2 3.71Å |
| 292 | M | 91.4 | Very high | 95 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 138.7 | 174.8 | -170.3 | 171.9 | 117.8 | 0 | 0 | 109.4 | L254 N259 A262 D294 I295 | L254-M292 HydrophobicContact CB-CE 4.35Å; L254-M292 HydrophobicContact CD1-CB 4.4Å; L254-M292 HydrophobicContact CD2-CB 4.4Å; L254-M292 HydrophobicContact CD2-CE 4.04Å; N259-M292 HydrophobicContact CB-SD 3.78Å; A262-M292 HydrophobicContact CB-CB 4.44Å; A262-M292 HydrophobicContact CB-SD 4.46Å; M292-D294 PolarHBondContact O-N 2.84Å; M292-I295 WeakPolarHBondContact O-CB 3.42Å; M292-I295 PolarHBondContact O-N 2.8Å; M292-I295 VanDerWaalsContact O-N 3.09Å |
| 293 | N | 91.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.8 | -178.6 | -52.4 | -21.3 | 0 | 0 | 0 | 113.3 | I295 | N293-I295 HydrophobicContact CB-CD1 4.49Å; N293-I295 PolarHBondContact O-N 3.43Å; N293-I295 VanDerWaalsContact O-N 3.11Å |
| 294 | D | 91.8 | Very high | 95.1 | Very high | 146 Ų | 146 | 61.8 Ų | 61.8 | 78% | 0.781 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 23.5 | -177.1 | -52.3 | -44.2 | 0 | 0 | 0 | 114.6 | M292 | M292-D294 PolarHBondContact O-N 2.84Š|
| 295 | I | 93.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.4 | 175.9 | -66.2 | 163 | 0 | 0 | 0 | 109.7 | Y252 L254 F291 M292 N293 | Y252-I295 HydrophobicContact CD1-CG2 4.17Å; L254-I295 HydrophobicContact CD1-CB 4.25Å; L254-I295 HydrophobicContact CD1-CG2 4.1Å; L254-I295 HydrophobicContact CD2-CD1 3.94Å; F291-I295 WeakPolarHBondContact CB-O 3.42Å; F291-I295 PolarHBondContact N-O 3.28Å; M292-I295 WeakPolarHBondContact O-CB 3.42Å; M292-I295 PolarHBondContact O-N 2.8Å; M292-I295 VanDerWaalsContact O-N 3.09Å; N293-I295 HydrophobicContact CB-CD1 4.49Å; N293-I295 PolarHBondContact O-N 3.43Å; N293-I295 VanDerWaalsContact O-N 3.11Å |
| 296 | D | 95.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.1 | 168.4 | -58.7 | -27.6 | 0 | 0 | 0 | 110.2 | E289 C290 | E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.43Å; C290-D296 PolarHBondContact N-OD1 3.47Å |
| 297 | V | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.2 | 174.2 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | F248 Y252 L254 N287 I288 F291 | F248-V297 HydrophobicContact CD1-CB 4.4Å; F248-V297 HydrophobicContact CD2-CB 4.38Å; F248-V297 HydrophobicContact CD2-CG1 4.28Å; F248-V297 HydrophobicContact CD2-CG2 4.3Å; F248-V297 HydrophobicContact CE1-CB 4.05Å; F248-V297 HydrophobicContact CE1-CG2 4.43Å; F248-V297 HydrophobicContact CE2-CB 4.02Å; F248-V297 HydrophobicContact CE2-CG1 4.4Å; F248-V297 HydrophobicContact CE2-CG2 3.65Å; F248-V297 HydrophobicContact CG-CG1 4.34Å; F248-V297 HydrophobicContact CZ-CB 3.84Å; F248-V297 HydrophobicContact CZ-CG2 3.72Å; Y252-V297 HydrophobicContact CD2-CB 4.23Å; Y252-V297 HydrophobicContact CD2-CG1 3.72Å; Y252-V297 HydrophobicContact CE2-CB 3.91Å; Y252-V297 HydrophobicContact CE2-CG1 3.91Å; Y252-V297 HydrophobicContact CG-CG1 4.11Å; L254-V297 HydrophobicContact CD1-CG1 3.91Å; N287-V297 WeakPolarHBondContact CA-O 3.43Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.37Å; I288-V297 HydrophobicContact CG1-CG2 4.06Å; I288-V297 PolarHBondContact N-O 2.99Å; I288-V297 PolarHBondContact O-N 2.87Å; F291-V297 HydrophobicContact CB-CG1 4.18Å; F291-V297 HydrophobicContact CB-CG2 3.8Å; F291-V297 HydrophobicContact CD1-CB 4.4Å; F291-V297 HydrophobicContact CD1-CG1 3.71Å; F291-V297 HydrophobicContact CD1-CG2 3.75Å; F291-V297 HydrophobicContact CD2-CG2 4.36Å; F291-V297 HydrophobicContact CE1-CG2 4.39Å; F291-V297 HydrophobicContact CG-CG1 4.28Å; F291-V297 HydrophobicContact CG-CG2 3.71Å |
| 298 | S | 96.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.8 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | K251 Y252 L286 N287 | K251-S298 PolarHBondContact NZ-O 3Å; Y252-S298 PolarHBondContact OH-N 3.35Å; Y252-S298 PolarHBondContact OH-O 3.26Å; L286-S298 CarbonylContact O-C 3.59Å; L286-S298 WeakPolarHBondContact O-CA 3.5Å; N287-S298 VanDerWaalsContact OD1-CB 3.31Å; N287-S298 WeakPolarHBondContact OD1-CB 3.32Å; N287-S298 PolarHBondContact OD1-OG 3.45Å |
| 299 | S | 96.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | -177.6 | 173.5 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | E247 L286 | E247-S299 PolarHBondContact OE1-OG 3.48Å; E247-S299 WeakPolarHBondContact OE2-CB 3.45Å; E247-S299 PolarHBondContact OE2-OG 3.15Å; L286-S299 PolarHBondContact N-O 3.46Å; L286-S299 PolarHBondContact O-N 2.89Å |
| 300 | R | 96.4 | Very high | 95.3 | Very high | 171 Ų | 171 | 58.1 Ų | 58.1 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.3 | 178.9 | -61.7 | -176.8 | -179 | 178.7 | -0.4 | 111 | L284 | L284-R300 CarbonylContact O-C 3.57Å; L284-R300 VanDerWaalsContact O-CA 3.23Å; L284-R300 WeakPolarHBondContact O-CA 3.36Å |
| 301 | M | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 143.4 | 174.5 | -173.8 | 59 | 59.5 | 0 | 0 | 109.9 | L240 Y243 F244 L273 M277 L284 H305 F306 M309 | L240-M301 HydrophobicContact CD2-CE 4.23Å; L240-M301 HydrophobicContact CD2-CG 4.11Å; L240-M301 HydrophobicContact CD2-SD 4.49Å; Y243-M301 HydrophobicContact CD1-CE 3.56Å; Y243-M301 HydrophobicContact CE1-CE 3.41Å; Y243-M301 VanDerWaalsContact CE1-CE 3.41Å; Y243-M301 HydrophobicContact CG-CE 4.23Å; F244-M301 HydrophobicContact CE1-CE 4.46Å; F244-M301 HydrophobicContact CE2-CE 4.43Å; F244-M301 HydrophobicContact CZ-CB 4.22Å; F244-M301 HydrophobicContact CZ-CE 3.93Å; L273-M301 HydrophobicContact CD1-CB 4.47Å; L273-M301 HydrophobicContact CD2-CB 3.82Å; L273-M301 HydrophobicContact CD2-CG 4.41Å; L273-M301 HydrophobicContact CG-CB 4.44Å; M277-M301 HydrophobicContact CE-CG 4.13Å; M277-M301 HydrophobicContact SD-CB 4.28Å; M277-M301 HydrophobicContact SD-CG 3.53Å; M277-M301 VanDerWaalsContact SD-CG 3.53Å; L284-M301 PolarHBondContact N-O 2.79Å; L284-M301 PolarHBondContact O-N 2.57Å; M301-H305 HydrophobicContact SD-CB 4.06Å; M301-H305 VanDerWaalsContact SD-CD2 3.52Å; M301-F306 HydrophobicContact CG-CB 4.21Å; M301-F306 HydrophobicContact SD-CB 4.22Å; M301-M309 HydrophobicContact CE-CE 3.51Å; M301-M309 HydrophobicContact SD-CE 3.65Å |
| 302 | N | 96.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | trans | -119.4 | 165.9 | 168.7 | 60 | 59.7 | 0 | 0 | 0 | 111.1 | D283 T304 H305 F306 | D283-N302 WeakPolarHBondContact OD1-CB 3.47Å; D283-N302 PolarHBondContact OD1-ND2 3.12Å; N302-T304 PolarHBondContact O-N 2.93Å; N302-T304 PolarHBondContact OD1-N 3.22Å; N302-H305 PolarHBondContact O-N 3.16Å; N302-H305 WeakPolarHBondContact OD1-CB 3.18Å; N302-H305 PolarHBondContact OD1-N 3.23Å; N302-F306 WeakPolarHBondContact O-CB 3.19Å; N302-F306 PolarHBondContact O-N 3.33Å | ||
| 303 | R | 97 | Very high | 95.9 | Very high | 46 Ų | 46 | 62 Ų | 62 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -176.1 | -175.6 | -174.4 | -59.5 | 167.8 | 0.1 | 112.3 | M277 S278 A279 N280 H305 F306 E307 | M277-R303 VanDerWaalsContact O-CZ 3.23Å; M277-R303 PolarHBondContact O-NE 3.41Å; M277-R303 PolarHBondContact O-NH2 2.99Å; S278-R303 PolarHBondContact O-NH2 3.08Å; A279-R303 PolarHBondContact O-NH2 3.41Å; N280-R303 PolarHBondContact O-NH2 2.93Å; R303-H305 PolarHBondContact O-N 3.11Å; R303-F306 PolarHBondContact O-N 3.1Å; R303-E307 HydrophobicContact CG-CG 4.2Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 WeakPolarHBondContact O-CG 3.09Å; R303-E307 PolarHBondContact O-N 3.31Å |
| 304 | T | 96.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -50.1 | -176.9 | -50.9 | 0 | 0 | 0 | 0 | 111 | N302 F306 E307 E308 | N302-T304 PolarHBondContact O-N 2.93Å; N302-T304 PolarHBondContact OD1-N 3.22Å; T304-F306 PolarHBondContact O-N 3.03Å; T304-E307 PolarHBondContact O-N 3.13Å; T304-E308 WeakPolarHBondContact O-CG 3.45Å; T304-E308 PolarHBondContact O-N 2.95Å |
| 305 | H | 96.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 179.1 | -170.6 | 49.5 | 0 | 0 | 0 | 112 | Y243 M301 N302 R303 E307 E308 M309 | Y243-H305 AromaticContact CE2-NE2 3.5Å; Y243-H305 AromaticContact CZ-NE2 3.94Å; M301-H305 HydrophobicContact SD-CB 4.06Å; M301-H305 VanDerWaalsContact SD-CD2 3.52Å; N302-H305 PolarHBondContact O-N 3.16Å; N302-H305 WeakPolarHBondContact OD1-CB 3.18Å; N302-H305 PolarHBondContact OD1-N 3.23Å; R303-H305 PolarHBondContact O-N 3.11Å; H305-E307 PolarHBondContact O-N 3.05Å; H305-E308 IonicContact ND1-OE2 2.72Å; H305-E308 PolarHBondContact O-N 2.84Å; H305-M309 WeakPolarHBondContact O-CG 3.2Å; H305-M309 PolarHBondContact O-N 3.17Å |
| 306 | F | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.2 | 165.2 | -112.1 | 0 | 0 | 0 | 112.8 | F236 L240 K274 M277 M301 N302 R303 T304 M309 C310 | F236-F306 HydrophobicContact CB-CE2 4.04Å; F236-F306 HydrophobicContact CB-CZ 3.81Å; F236-F306 HydrophobicContact CD1-CE1 4.43Å; F236-F306 HydrophobicContact CD1-CE2 4.24Å; F236-F306 AromaticContact CD1-CZ 3.68Å; F236-F306 HydrophobicContact CD1-CZ 3.68Å; F236-F306 HydrophobicContact CG-CZ 4.16Å; L240-F306 HydrophobicContact CD1-CD2 4.04Å; L240-F306 HydrophobicContact CD1-CE2 3.85Å; L240-F306 HydrophobicContact CD2-CD2 3.7Å; L240-F306 HydrophobicContact CD2-CE2 4.29Å; L240-F306 HydrophobicContact CG-CD2 3.82Å; L240-F306 HydrophobicContact CG-CE2 3.89Å; K274-F306 HydrophobicContact CD-CZ 4.42Å; K274-F306 HydrophobicContact CG-CE1 4.48Å; K274-F306 HydrophobicContact CG-CZ 3.89Å; M277-F306 HydrophobicContact CE-CB 3.71Å; M277-F306 HydrophobicContact CE-CD1 3.69Å; M277-F306 HydrophobicContact CE-CD2 3.66Å; M277-F306 HydrophobicContact CE-CE1 4.18Å; M277-F306 HydrophobicContact CE-CE2 4.15Å; M277-F306 HydrophobicContact CE-CG 3.38Å; M277-F306 HydrophobicContact CE-CZ 4.38Å; M277-F306 HydrophobicContact SD-CB 3.62Å; M277-F306 HydrophobicContact SD-CD1 4.19Å; M277-F306 HydrophobicContact SD-CG 3.94Å; M301-F306 HydrophobicContact CG-CB 4.21Å; M301-F306 HydrophobicContact SD-CB 4.22Å; N302-F306 WeakPolarHBondContact O-CB 3.19Å; N302-F306 PolarHBondContact O-N 3.33Å; R303-F306 PolarHBondContact O-N 3.1Å; T304-F306 PolarHBondContact O-N 3.03Å; F306-M309 PolarHBondContact O-N 2.97Å; F306-C310 VanDerWaalsContact CE2-SG 3.5Å; F306-C310 WeakPolarHBondContact O-CB 3.49Å; F306-C310 PolarHBondContact O-N 2.82Å; F306-C310 VanDerWaalsContact O-N 3.08Å; F306-C310 PolarHBondContact O-SG 3.22Å |
| 307 | E | 96 | Very high | 96.5 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 179.1 | -72.8 | -178.9 | 159.1 | 0 | 0 | 112.3 | R303 T304 H305 C310 A311 L314 S349 | R303-E307 HydrophobicContact CG-CG 4.2Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 WeakPolarHBondContact O-CG 3.09Å; R303-E307 PolarHBondContact O-N 3.31Å; T304-E307 PolarHBondContact O-N 3.13Å; H305-E307 PolarHBondContact O-N 3.05Å; E307-C310 CarbonylContact O-C 3.51Å; E307-C310 PolarHBondContact O-N 3.04Å; E307-A311 PolarHBondContact O-N 3.43Å; E307-A311 VanDerWaalsContact O-N 3.11Å; E307-L314 HydrophobicContact CB-CD1 4.34Å; E307-S349 WeakPolarHBondContact OE1-CB 3.48Å; E307-S349 PolarHBondContact OE1-N 3.16Å; E307-S349 PolarHBondContact OE1-OG 2.97Å |
| 308 | E | 96.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.2 | -47.8 | 172.2 | -73.7 | 170.8 | 178.6 | 0 | 0 | 111.6 | T304 H305 C310 A311 | T304-E308 WeakPolarHBondContact O-CG 3.45Å; T304-E308 PolarHBondContact O-N 2.95Å; H305-E308 IonicContact ND1-OE2 2.72Å; H305-E308 PolarHBondContact O-N 2.84Å; E308-C310 PolarHBondContact O-N 3.39Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.23Å; E308-A311 PolarHBondContact O-N 3.3Å |
| 309 | M | 96.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -32.3 | 176.2 | -69.1 | -170.3 | -62.6 | 0 | 0 | 112.5 | L240 Y243 M301 H305 F306 | L240-M309 HydrophobicContact CD2-CE 4.05Å; Y243-M309 HydrophobicContact CD2-CE 4.41Å; Y243-M309 HydrophobicContact CD2-SD 3.35Å; Y243-M309 WeakPolarHBondContact CD2-SD 3.26Å; Y243-M309 HydrophobicContact CE2-SD 4.06Å; Y243-M309 HydrophobicContact CG-CE 4.28Å; Y243-M309 HydrophobicContact CG-SD 3.66Å; M301-M309 HydrophobicContact CE-CE 3.51Å; M301-M309 HydrophobicContact SD-CE 3.65Å; H305-M309 WeakPolarHBondContact O-CG 3.2Å; H305-M309 PolarHBondContact O-N 3.17Å; F306-M309 PolarHBondContact O-N 2.97Å |
| 310 | C | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 8.2 | -177.8 | -62.9 | 0 | 0 | 0 | 0 | 113.9 | F236 F306 E307 E308 Q312 Y313 L314 | F236-C310 HydrophobicContact CD1-CB 3.65Å; F236-C310 VanDerWaalsContact CD1-SG 3.58Å; F236-C310 HydrophobicContact CE1-CB 3.68Å; F306-C310 VanDerWaalsContact CE2-SG 3.5Å; F306-C310 WeakPolarHBondContact O-CB 3.49Å; F306-C310 PolarHBondContact O-N 2.82Å; F306-C310 VanDerWaalsContact O-N 3.08Å; F306-C310 PolarHBondContact O-SG 3.22Å; E307-C310 CarbonylContact O-C 3.51Å; E307-C310 PolarHBondContact O-N 3.04Å; E308-C310 PolarHBondContact O-N 3.39Å; C310-Q312 PolarHBondContact O-N 3.08Å; C310-Q312 VanDerWaalsContact O-N 3.1Å; C310-Y313 HydrophobicContact CB-CD2 4.39Å; C310-Y313 PolarHBondContact O-N 2.9Å; C310-L314 WeakPolarHBondContact O-CG 3.47Å; C310-L314 PolarHBondContact O-N 2.74Å; C310-L314 VanDerWaalsContact O-N 3.08Å |
| 311 | A | 96.1 | Very high | 96.5 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.6 | -38.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E307 E308 Y313 L314 M315 | E307-A311 PolarHBondContact O-N 3.43Å; E307-A311 VanDerWaalsContact O-N 3.11Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.23Å; E308-A311 PolarHBondContact O-N 3.3Å; A311-Y313 VanDerWaalsContact C-N 3.34Å; A311-Y313 PolarHBondContact O-N 3.39Å; A311-L314 PolarHBondContact O-N 2.71Å; A311-M315 WeakPolarHBondContact O-CG 3.31Å; A311-M315 PolarHBondContact O-N 2.96Å |
| 312 | Q | 95.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 53.9 Ų | 53.9 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 176.9 | 61.4 | 179.9 | -12.7 | 0 | 0 | 113.7 | C310 | C310-Q312 PolarHBondContact O-N 3.08Å; C310-Q312 VanDerWaalsContact O-N 3.1Å |
| 313 | Y | 96.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.3 | -38.4 | 177.9 | -59.7 | -48.6 | 0 | 0 | 0 | 110.9 | L231 N235 A239 C310 A311 M315 R316 | L231-Y313 HydrophobicContact CD1-CD1 4.28Å; L231-Y313 HydrophobicContact CD1-CG 4.39Å; N235-Y313 HydrophobicContact CB-CD1 4.08Å; N235-Y313 HydrophobicContact CB-CD2 4.08Å; N235-Y313 HydrophobicContact CB-CE1 4.02Å; N235-Y313 HydrophobicContact CB-CE2 3.99Å; N235-Y313 HydrophobicContact CB-CG 4.13Å; N235-Y313 VanDerWaalsContact O-CE2 3.31Å; N235-Y313 WeakPolarHBondContact O-CE2 3.38Å; A239-Y313 HydrophobicContact CB-CE2 4.25Å; C310-Y313 HydrophobicContact CB-CD2 4.39Å; C310-Y313 PolarHBondContact O-N 2.9Å; A311-Y313 VanDerWaalsContact C-N 3.34Å; A311-Y313 PolarHBondContact O-N 3.39Å; Y313-M315 VanDerWaalsContact C-N 3.31Å; Y313-M315 PolarHBondContact O-N 2.66Å; Y313-R316 PolarHBondContact O-N 3.23Å; Y313-R316 VanDerWaalsContact O-N 3.15Å |
| 314 | L | 95.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 176.3 | -68.2 | 179.2 | 0 | 0 | 0 | 112.2 | F236 E307 C310 A311 R316 V317 I350 R353 | F236-L314 HydrophobicContact CE1-CD2 3.92Å; F236-L314 HydrophobicContact CE1-CG 4.29Å; F236-L314 HydrophobicContact CZ-CD2 4.09Å; E307-L314 HydrophobicContact CB-CD1 4.34Å; C310-L314 WeakPolarHBondContact O-CG 3.47Å; C310-L314 PolarHBondContact O-N 2.74Å; C310-L314 VanDerWaalsContact O-N 3.08Å; A311-L314 PolarHBondContact O-N 2.71Å; L314-R316 VanDerWaalsContact C-N 3.33Å; L314-R316 PolarHBondContact O-N 3.18Å; L314-V317 WeakPolarHBondContact O-CB 3.21Å; L314-V317 WeakPolarHBondContact O-CG2 3.33Å; L314-V317 PolarHBondContact O-N 3.5Å; L314-I350 HydrophobicContact CD2-CD1 3.61Å; L314-I350 HydrophobicContact CD2-CG1 4.33Å; L314-R353 WeakPolarHBondContact O-CD 3.42Å; L314-R353 PolarHBondContact O-NE 2.95Å |
| 315 | M | 95.3 | Very high | 96.4 | Very high | 119 Ų | 119 | 48.9 Ų | 48.9 | 59% | 0.586 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.4 | -34.5 | 174.8 | -72.9 | -172.3 | -67.6 | 0 | 0 | 113.1 | A311 Y313 V317 E318 | A311-M315 WeakPolarHBondContact O-CG 3.31Å; A311-M315 PolarHBondContact O-N 2.96Å; Y313-M315 VanDerWaalsContact C-N 3.31Å; Y313-M315 PolarHBondContact O-N 2.66Å; M315-V317 PolarHBondContact O-N 3.19Å; M315-E318 PolarHBondContact O-N 2.96Å |
| 316 | R | 96.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.3 | -19.8 | -178.5 | -71.9 | 170.3 | 58 | -177.1 | -1.5 | 113.8 | D228 L231 Y313 L314 E318 T319 P320 | D228-R316 IonicContact OD1-CZ 3.69Å; D228-R316 IonicContact OD1-NH2 2.92Å; D228-R316 PolarHBondContact OD1-NH2 3.24Å; D228-R316 IonicContact OD2-CZ 3.22Å; D228-R316 VanDerWaalsContact OD2-CZ 3.22Å; D228-R316 IonicContact OD2-NE 3.32Å; D228-R316 PolarHBondContact OD2-NE 3.21Å; D228-R316 IonicContact OD2-NH2 2.73Å; D228-R316 PolarHBondContact OD2-NH2 2.85Å; L231-R316 HydrophobicContact CD2-CB 3.82Å; Y313-R316 PolarHBondContact O-N 3.23Å; Y313-R316 VanDerWaalsContact O-N 3.15Å; L314-R316 VanDerWaalsContact C-N 3.33Å; L314-R316 PolarHBondContact O-N 3.18Å; R316-E318 PolarHBondContact O-N 3.49Å; R316-T319 PolarHBondContact O-N 2.94Å; R316-P320 VanDerWaalsContact O-CD 3.22Å; R316-P320 WeakPolarHBondContact O-CD 3.34Å |
| 317 | V | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.2 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | F208 L231 L314 M315 T319 P320 L321 I350 R353 | F208-V317 HydrophobicContact CE1-CG1 4.01Å; F208-V317 WeakPolarHBondContact CE1-O 3.5Å; F208-V317 HydrophobicContact CE2-CG1 4.23Å; F208-V317 HydrophobicContact CZ-CG1 3.67Å; L231-V317 HydrophobicContact CD2-CG2 4.04Å; L314-V317 WeakPolarHBondContact O-CB 3.21Å; L314-V317 WeakPolarHBondContact O-CG2 3.33Å; L314-V317 PolarHBondContact O-N 3.5Å; M315-V317 PolarHBondContact O-N 3.19Å; V317-T319 VanDerWaalsContact C-N 3.33Å; V317-T319 PolarHBondContact O-N 3.43Å; V317-P320 WeakPolarHBondContact O-CD 3.5Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; V317-I350 HydrophobicContact CG2-CD1 3.63Å; V317-R353 HydrophobicContact CG1-CB 4.48Å |
| 318 | E | 95.3 | Very high | 96.3 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.9 | -28.2 | -174.8 | -66.4 | -179.6 | -156.7 | 0 | 0 | 113 | M315 R316 L321 K322 R353 | M315-E318 PolarHBondContact O-N 2.96Å; R316-E318 PolarHBondContact O-N 3.49Å; E318-L321 PolarHBondContact O-N 3.49Å; E318-K322 WeakPolarHBondContact O-CB 3.35Å; E318-K322 PolarHBondContact O-N 2.86Å; E318-R353 IonicContact OE1-NH1 3.37Å; E318-R353 PolarHBondContact OE1-NH1 2.97Å |
| 319 | T | 96 | Very high | 96.3 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -50.5 | -174.9 | -61 | 0 | 0 | 0 | 0 | 112.4 | R316 V317 L321 K322 T323 | R316-T319 PolarHBondContact O-N 2.94Å; V317-T319 VanDerWaalsContact C-N 3.33Å; V317-T319 PolarHBondContact O-N 3.43Å; T319-L321 PolarHBondContact O-N 2.78Å; T319-K322 PolarHBondContact O-N 3.39Å; T319-T323 VanDerWaalsContact O-CB 3.28Å; T319-T323 WeakPolarHBondContact O-CB 3.34Å; T319-T323 PolarHBondContact O-N 3.31Å; T319-T323 PolarHBondContact O-OG1 3.4Å |
| 320 | P | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 176.7 | -27.9 | 41.8 | 0 | 0 | 0 | 113.3 | F208 V210 A226 D228 R316 V317 K322 T323 A324 | F208-P320 HydrophobicContact CD1-CB 3.97Å; F208-P320 HydrophobicContact CD1-CG 3.84Å; F208-P320 HydrophobicContact CE1-CB 3.92Å; F208-P320 HydrophobicContact CE1-CG 4.13Å; V210-P320 HydrophobicContact CG2-CB 4.13Å; A226-P320 HydrophobicContact CB-CB 4.19Å; A226-P320 WeakPolarHBondContact CB-O 3.47Å; D228-P320 HydrophobicContact CB-CG 3.97Å; R316-P320 VanDerWaalsContact O-CD 3.22Å; R316-P320 WeakPolarHBondContact O-CD 3.34Å; V317-P320 WeakPolarHBondContact O-CD 3.5Å; P320-K322 PolarHBondContact O-N 2.92Å; P320-T323 PolarHBondContact O-N 3Å; P320-A324 WeakPolarHBondContact O-CB 3.35Å; P320-A324 PolarHBondContact O-N 3.28Å |
| 321 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 175.4 | -63.5 | 171.9 | 0 | 0 | 0 | 110.8 | V201 F208 V210 V317 E318 T319 F325 I354 Y357 F358 | V201-L321 HydrophobicContact CG2-CD2 4.13Å; F208-L321 HydrophobicContact CE1-CG 4.32Å; F208-L321 HydrophobicContact CZ-CD2 4.15Å; F208-L321 HydrophobicContact CZ-CG 4.22Å; V210-L321 HydrophobicContact CG1-CD2 4.29Å; V210-L321 HydrophobicContact CG2-CD2 3.72Å; V210-L321 HydrophobicContact CG2-CG 4.37Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; E318-L321 PolarHBondContact O-N 3.49Å; T319-L321 PolarHBondContact O-N 2.78Å; L321-F325 WeakPolarHBondContact O-CB 3.48Å; L321-F325 PolarHBondContact O-N 3.43Å; L321-F325 VanDerWaalsContact O-N 3.13Å; L321-I354 HydrophobicContact CD1-CG1 4.19Å; L321-I354 HydrophobicContact CD2-CG1 4.46Å; L321-Y357 HydrophobicContact CB-CD1 3.71Å; L321-Y357 HydrophobicContact CB-CD2 4.38Å; L321-Y357 HydrophobicContact CB-CE1 3.95Å; L321-Y357 HydrophobicContact CB-CG 3.98Å; L321-Y357 HydrophobicContact CD1-CD1 4.45Å; L321-Y357 HydrophobicContact CD1-CG 4.21Å; L321-F358 HydrophobicContact CD2-CE2 3.66Å; L321-F358 HydrophobicContact CD2-CZ 4.19Å |
| 322 | K | 97.1 | Very high | 96 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 177.3 | -176.4 | 178.5 | 172.8 | -177.2 | 0 | 112.8 | E318 T319 P320 A324 F325 E326 Y357 | E318-K322 WeakPolarHBondContact O-CB 3.35Å; E318-K322 PolarHBondContact O-N 2.86Å; T319-K322 PolarHBondContact O-N 3.39Å; P320-K322 PolarHBondContact O-N 2.92Å; K322-A324 PolarHBondContact O-N 3.39Å; K322-F325 PolarHBondContact O-N 2.89Å; K322-E326 WeakPolarHBondContact CE-OE1 3.46Å; K322-E326 HydrophobicContact CG-CG 4.4Å; K322-E326 WeakPolarHBondContact CG-OE1 3.24Å; K322-E326 IonicContact NZ-OE1 3.24Å; K322-E326 WeakPolarHBondContact O-CG 3.11Å; K322-E326 PolarHBondContact O-N 2.84Å; K322-Y357 VanDerWaalsContact CA-OH 3.26Å; K322-Y357 WeakPolarHBondContact CA-OH 3.21Å; K322-Y357 HydrophobicContact CB-CE2 4.01Å |
| 323 | T | 96.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | -177.4 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | A226 T319 P320 Q327 | A226-T323 HydrophobicContact CB-CG2 3.8Å; T319-T323 VanDerWaalsContact O-CB 3.28Å; T319-T323 WeakPolarHBondContact O-CB 3.34Å; T319-T323 PolarHBondContact O-N 3.31Å; T319-T323 PolarHBondContact O-OG1 3.4Å; P320-T323 PolarHBondContact O-N 3Å; T323-Q327 WeakPolarHBondContact O-CB 3.27Å; T323-Q327 WeakPolarHBondContact O-CG 3.4Å; T323-Q327 PolarHBondContact O-N 2.76Å; T323-Q327 VanDerWaalsContact O-N 3.16Å |
| 324 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V210 I212 A224 A226 P320 K322 Q327 S328 | V210-A324 HydrophobicContact CB-CB 4.15Å; V210-A324 HydrophobicContact CG1-CB 3.81Å; I212-A324 HydrophobicContact CD1-CB 4.09Å; I212-A324 WeakPolarHBondContact CD1-O 3.41Å; I212-A324 HydrophobicContact CG1-CB 4.19Å; A224-A324 WeakPolarHBondContact CB-O 3.4Å; A226-A324 HydrophobicContact CB-CB 3.78Å; P320-A324 WeakPolarHBondContact O-CB 3.35Å; P320-A324 PolarHBondContact O-N 3.28Å; K322-A324 PolarHBondContact O-N 3.39Å; A324-Q327 PolarHBondContact O-N 3.08Å; A324-S328 PolarHBondContact O-N 3.01Å |
| 325 | F | 96.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 65 Ų | 65 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | -178.9 | -170.8 | -111.6 | 0 | 0 | 0 | 112.1 | I212 L321 K322 Q327 S328 L330 R332 I335 Y357 F358 | I212-F325 HydrophobicContact CD1-CB 4.3Å; I212-F325 HydrophobicContact CD1-CD2 4.27Å; L321-F325 WeakPolarHBondContact O-CB 3.48Å; L321-F325 PolarHBondContact O-N 3.43Å; L321-F325 VanDerWaalsContact O-N 3.13Å; K322-F325 PolarHBondContact O-N 2.89Å; F325-Q327 VanDerWaalsContact C-N 3.32Å; F325-Q327 PolarHBondContact O-N 3.42Å; F325-S328 PolarHBondContact O-N 3.02Å; F325-S328 PolarHBondContact O-OG 3.11Å; F325-L330 WeakPolarHBondContact CZ-O 3.11Å; F325-R332 HydrophobicContact CE1-CG 4.19Å; F325-R332 HydrophobicContact CE2-CG 4.48Å; F325-R332 HydrophobicContact CZ-CB 4.47Å; F325-R332 HydrophobicContact CZ-CG 3.69Å; F325-I335 HydrophobicContact CE2-CD1 4.36Å; F325-I335 HydrophobicContact CE2-CG1 4.12Å; F325-Y357 HydrophobicContact CB-CE1 4.1Å; F325-Y357 HydrophobicContact CG-CE1 4.36Å; F325-F358 HydrophobicContact CD2-CE1 4.02Å |
| 326 | E | 96.4 | Very high | 96 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 176.1 | -72.6 | 174.3 | 174.5 | 0 | 0 | 112.2 | K322 S328 K329 | K322-E326 WeakPolarHBondContact CE-OE1 3.46Å; K322-E326 HydrophobicContact CG-CG 4.4Å; K322-E326 WeakPolarHBondContact CG-OE1 3.24Å; K322-E326 IonicContact NZ-OE1 3.24Å; K322-E326 WeakPolarHBondContact O-CG 3.11Å; K322-E326 PolarHBondContact O-N 2.84Å; E326-S328 VanDerWaalsContact C-N 3.32Å; E326-S328 PolarHBondContact O-N 3.28Å; E326-K329 PolarHBondContact O-N 3.33Å |
| 327 | Q | 95.3 | Very high | 96 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -30.8 | 178.4 | -72.6 | 173.5 | 25.8 | 0 | 0 | 113.4 | A224 T225 T323 A324 F325 K329 N423 | A224-Q327 HydrophobicContact CB-CB 3.68Å; T225-Q327 PolarHBondContact O-OE1 2.84Å; T323-Q327 WeakPolarHBondContact O-CB 3.27Å; T323-Q327 WeakPolarHBondContact O-CG 3.4Å; T323-Q327 PolarHBondContact O-N 2.76Å; T323-Q327 VanDerWaalsContact O-N 3.16Å; A324-Q327 PolarHBondContact O-N 3.08Å; F325-Q327 VanDerWaalsContact C-N 3.32Å; F325-Q327 PolarHBondContact O-N 3.42Å; Q327-K329 PolarHBondContact O-N 3.31Å; Q327-N423 PolarHBondContact OE1-ND2 3.31Å |
| 328 | S | 95.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.7 | -20.9 | 179.7 | 74.9 | 0 | 0 | 0 | 0 | 113.5 | A324 F325 E326 L330 | A324-S328 PolarHBondContact O-N 3.01Å; F325-S328 PolarHBondContact O-N 3.02Å; F325-S328 PolarHBondContact O-OG 3.11Å; E326-S328 VanDerWaalsContact C-N 3.32Å; E326-S328 PolarHBondContact O-N 3.28Å; S328-L330 PolarHBondContact O-N 3.45Å; S328-L330 PolarHBondContact OG-N 2.9Å |
| 329 | K | 95.2 | Very high | 96.2 | Very high | 192 Ų | 192 | 57.7 Ų | 57.7 | 84% | 0.835 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 26.6 | -174.6 | -53.9 | 179 | -178.9 | -179.8 | 0 | 113.6 | E326 Q327 | E326-K329 PolarHBondContact O-N 3.33Å; Q327-K329 PolarHBondContact O-N 3.31Å |
| 330 | L | 95.9 | Very high | 96.3 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | trans | -93.4 | 156.2 | 175.5 | -63.5 | -179.8 | 0 | 0 | 0 | 111.2 | N197 I212 L223 F325 S328 D334 I335 | N197-L330 HydrophobicContact CB-CD1 3.84Å; I212-L330 HydrophobicContact CG2-CD1 3.88Å; L223-L330 HydrophobicContact CD1-CD1 3.94Å; L223-L330 HydrophobicContact CD1-CG 4.45Å; F325-L330 WeakPolarHBondContact CZ-O 3.11Å; S328-L330 PolarHBondContact O-N 3.45Å; S328-L330 PolarHBondContact OG-N 2.9Å; L330-D334 HydrophobicContact CB-CB 4.23Å; L330-D334 HydrophobicContact CD2-CB 4.25Å; L330-I335 HydrophobicContact CD1-CD1 3.9Å | ||
| 331 | S | 94.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | trans | -88.2 | 167.3 | 164.8 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | D333 D334 | S331-D333 VanDerWaalsContact C-N 3.27Å; S331-D333 PolarHBondContact O-N 2.66Å; S331-D334 WeakPolarHBondContact CB-OD2 3.3Å; S331-D334 PolarHBondContact N-OD2 3.39Å; S331-D334 WeakPolarHBondContact O-CB 3.17Å; S331-D334 PolarHBondContact O-N 3.38Å; S331-D334 PolarHBondContact OG-OD2 3.15Å | ||
| 332 | R | 92.9 | Very high | 96.2 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -65.8 | -34 | 180 | -69.3 | -173.9 | 176.2 | -165.9 | -6.2 | 111.9 | F325 D334 I335 Y357 C359 | F325-R332 HydrophobicContact CE1-CG 4.19Å; F325-R332 HydrophobicContact CE2-CG 4.48Å; F325-R332 HydrophobicContact CZ-CB 4.47Å; F325-R332 HydrophobicContact CZ-CG 3.69Å; R332-D334 PolarHBondContact O-N 2.91Å; R332-I335 WeakPolarHBondContact O-CB 3.1Å; R332-I335 PolarHBondContact O-N 2.9Å; R332-Y357 VanDerWaalsContact CZ-O 3.27Å; R332-Y357 PolarHBondContact NH2-O 2.95Å; R332-C359 PolarHBondContact NH1-SG 3.29Å |
| 333 | D | 93.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 50.2 Ų | 50.2 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.5 | 179.5 | -60.6 | -26.8 | 0 | 0 | 0 | 112.2 | S331 I335 | S331-D333 VanDerWaalsContact C-N 3.27Å; S331-D333 PolarHBondContact O-N 2.66Å; D333-I335 PolarHBondContact O-N 3.36Å |
| 334 | D | 95.7 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.2 | 175.5 | -62.8 | -52.6 | 0 | 0 | 0 | 112.9 | N197 L330 S331 R332 Y336 | N197-D334 WeakPolarHBondContact CB-O 3.39Å; N197-D334 PolarHBondContact ND2-O 2.92Å; L330-D334 HydrophobicContact CB-CB 4.23Å; L330-D334 HydrophobicContact CD2-CB 4.25Å; S331-D334 WeakPolarHBondContact CB-OD2 3.3Å; S331-D334 PolarHBondContact N-OD2 3.39Å; S331-D334 WeakPolarHBondContact O-CB 3.17Å; S331-D334 PolarHBondContact O-N 3.38Å; S331-D334 PolarHBondContact OG-OD2 3.15Å; R332-D334 PolarHBondContact O-N 2.91Å; D334-Y336 PolarHBondContact O-N 3.46Å |
| 335 | I | 97.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.2 | -178.6 | -57.1 | -58 | 0 | 0 | 0 | 110.1 | N197 V199 I212 F325 L330 R332 D333 V338 K360 | N197-I335 HydrophobicContact CB-CD1 4.41Å; V199-I335 HydrophobicContact CG2-CD1 3.95Å; V199-I335 HydrophobicContact CG2-CG1 4.49Å; V199-I335 HydrophobicContact CG2-CG2 3.84Å; I212-I335 HydrophobicContact CG2-CD1 4.48Å; F325-I335 HydrophobicContact CE2-CD1 4.36Å; F325-I335 HydrophobicContact CE2-CG1 4.12Å; L330-I335 HydrophobicContact CD1-CD1 3.9Å; R332-I335 WeakPolarHBondContact O-CB 3.1Å; R332-I335 PolarHBondContact O-N 2.9Å; D333-I335 PolarHBondContact O-N 3.36Å; I335-V338 HydrophobicContact CG2-CG2 4.22Å; I335-K360 PolarHBondContact O-NZ 3.42Å |
| 336 | Y | 97 | Very high | 96.2 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 45% | 0.451 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -46.6 | 178.7 | 177.9 | -95.2 | 0 | 0 | 0 | 112.7 | R196 N197 V198 D334 K360 | R196-Y336 HydrophobicContact CG-CD1 3.73Å; R196-Y336 HydrophobicContact CG-CD2 4Å; R196-Y336 HydrophobicContact CG-CE1 4.43Å; R196-Y336 HydrophobicContact CG-CG 3.48Å; R196-Y336 VanDerWaalsContact CG-CG 3.48Å; N197-Y336 VanDerWaalsContact O-CB 3.25Å; N197-Y336 WeakPolarHBondContact O-CB 3.28Å; N197-Y336 PolarHBondContact O-N 3Å; V198-Y336 HydrophobicContact CG2-CD1 4.35Å; D334-Y336 PolarHBondContact O-N 3.46Å; Y336-K360 PolarHBondContact O-NZ 3.24Å |
| 337 | A | 97 | Very high | 96.2 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V198 V199 | V198-A337 WeakPolarHBondContact CA-O 3.27Å; V198-A337 HydrophobicContact CG1-CB 4.3Å; V199-A337 PolarHBondContact N-O 3.08Å |
| 338 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 105.1 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | V199 V201 I335 I354 F358 V362 S363 | V199-V338 HydrophobicContact CB-CG1 4.28Å; V199-V338 HydrophobicContact CB-CG2 4.24Å; V199-V338 HydrophobicContact CG1-CG1 4.42Å; V199-V338 HydrophobicContact CG2-CG2 4.44Å; V199-V338 CarbonylContact O-C 3.41Å; V199-V338 WeakPolarHBondContact O-CA 3.34Å; V201-V338 HydrophobicContact CG2-CG1 4.13Å; I335-V338 HydrophobicContact CG2-CG2 4.22Å; V338-I354 HydrophobicContact CG1-CG2 3.66Å; V338-F358 HydrophobicContact CG1-CD2 4.02Å; V338-F358 HydrophobicContact CG1-CE2 4.25Å; V338-F358 HydrophobicContact CG2-CB 3.94Å; V338-F358 HydrophobicContact CG2-CD2 3.8Å; V338-F358 HydrophobicContact CG2-CE2 4.45Å; V338-F358 HydrophobicContact CG2-CG 3.86Å; V338-V362 HydrophobicContact CG1-CG1 4.35Å; V338-V362 CarbonylContact O-C 3.52Å; V338-V362 WeakPolarHBondContact O-CA 3.46Å; V338-S363 PolarHBondContact O-N 2.9Å |
| 339 | E | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132 | 179.6 | -67.3 | -74.3 | 174.8 | 0 | 0 | 110.1 | Y181 V198 V199 F200 V201 S363 T365 | Y181-E339 HydrophobicContact CD2-CG 4.19Å; Y181-E339 HydrophobicContact CE2-CG 3.98Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.26Å; V198-E339 HydrophobicContact CG1-CG 4.06Å; V199-E339 PolarHBondContact O-N 3.49Å; F200-E339 WeakPolarHBondContact CA-O 3.4Å; F200-E339 HydrophobicContact CD1-CB 3.66Å; F200-E339 HydrophobicContact CD1-CG 4.37Å; F200-E339 HydrophobicContact CE1-CB 3.76Å; F200-E339 HydrophobicContact CE1-CG 3.97Å; V201-E339 PolarHBondContact N-O 2.86Å; E339-S363 WeakPolarHBondContact CA-O 3.47Å; E339-S363 WeakPolarHBondContact OE1-CB 3.5Å; E339-S363 VanDerWaalsContact OE2-C 3.27Å; E339-S363 WeakPolarHBondContact OE2-CB 3.41Å; E339-T365 WeakPolarHBondContact OE1-CG2 3.35Å; E339-T365 PolarHBondContact OE1-OG1 3.07Å; E339-T365 PolarHBondContact OE2-N 2.95Å; E339-T365 PolarHBondContact OE2-OG1 3.44Å |
| 340 | V | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.9 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | V201 T345 I354 V362 S363 T364 | V201-V340 HydrophobicContact CB-CG1 4.25Å; V201-V340 CarbonylContact O-C 3.5Å; V201-V340 WeakPolarHBondContact O-CA 3.34Å; V340-T345 HydrophobicContact CB-CG2 4.32Å; V340-I354 HydrophobicContact CG1-CD1 4.1Å; V340-V362 HydrophobicContact CG1-CB 3.88Å; V340-V362 HydrophobicContact CG1-CG1 3.75Å; V340-V362 HydrophobicContact CG2-CB 4.31Å; V340-S363 PolarHBondContact N-O 3.21Å; V340-S363 VanDerWaalsContact N-O 3.11Å; V340-T364 HydrophobicContact CG2-CG2 3.86Å |
| 341 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 169.3 | 176.4 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | V177 V201 D202 M203 T345 L366 A371 | V177-V341 HydrophobicContact CG1-CG1 3.77Å; V177-V341 HydrophobicContact CG1-CG2 4.21Å; V177-V341 HydrophobicContact CG2-CG1 4.49Å; V177-V341 HydrophobicContact CG2-CG2 4.05Å; V201-V341 PolarHBondContact O-N 3.04Å; D202-V341 WeakPolarHBondContact CA-O 3.34Å; D202-V341 HydrophobicContact CB-CG2 3.71Å; M203-V341 PolarHBondContact N-O 2.98Å; M203-V341 VanDerWaalsContact N-O 3.11Å; V341-T345 WeakPolarHBondContact O-CG2 3.27Å; V341-T345 PolarHBondContact O-OG1 2.65Å; V341-L366 HydrophobicContact CG1-CB 4.41Å; V341-L366 HydrophobicContact CG1-CD1 4.47Å; V341-A371 HydrophobicContact CG1-CB 4.21Å |
| 342 | G | 96 | Very high | 96.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 85.9 | 141.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M203 A344 T345 A368 | M203-G342 CarbonylContact O-C 3.59Å; M203-G342 WeakPolarHBondContact O-CA 3.3Å; G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.19Å; G342-T345 PolarHBondContact O-N 3.35Å; G342-T345 VanDerWaalsContact O-N 3.16Å; G342-T345 PolarHBondContact O-OG1 2.76Å; G342-A368 PolarHBondContact N-O 3.15Å |
| 343 | G | 94.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -62 | -30.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116 | M203 T345 R346 | M203-G343 PolarHBondContact O-N 2.85Å; G343-T345 VanDerWaalsContact C-N 3.34Å; G343-R346 WeakPolarHBondContact O-CB 3.3Å; G343-R346 PolarHBondContact O-N 2.99Å |
| 344 | A | 96.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -79.8 | -15.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M203 G204 G342 R346 I347 | M203-A344 HydrophobicContact CB-CB 4.11Å; M203-A344 HydrophobicContact CE-CB 4.34Å; M203-A344 HydrophobicContact CG-CB 3.75Å; M203-A344 WeakPolarHBondContact O-CB 3.39Å; M203-A344 PolarHBondContact O-N 3.01Å; M203-A344 HydrophobicContact SD-CB 3.94Å; G204-A344 WeakPolarHBondContact O-CB 3.49Å; G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.19Å; A344-R346 PolarHBondContact O-N 2.91Å; A344-R346 VanDerWaalsContact O-N 3.13Å; A344-I347 WeakPolarHBondContact O-CB 3.49Å; A344-I347 WeakPolarHBondContact O-CG1 3.15Å; A344-I347 PolarHBondContact O-N 3.26Å |
| 345 | T | 97.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -66.4 | -10.4 | 171.8 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | M203 V340 V341 G342 G343 I347 K351 | M203-T345 HydrophobicContact CB-CG2 3.51Å; V340-T345 HydrophobicContact CB-CG2 4.32Å; V341-T345 WeakPolarHBondContact O-CG2 3.27Å; V341-T345 PolarHBondContact O-OG1 2.65Å; G342-T345 PolarHBondContact O-N 3.35Å; G342-T345 VanDerWaalsContact O-N 3.16Å; G342-T345 PolarHBondContact O-OG1 2.76Å; G343-T345 VanDerWaalsContact C-N 3.34Å; T345-I347 PolarHBondContact O-N 2.95Å; T345-K351 WeakPolarHBondContact O-CE 3.44Å; T345-K351 WeakPolarHBondContact O-CG 3.3Å |
| 346 | R | 96.5 | Very high | 96.8 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -71.3 | -16.4 | 173.8 | -65.5 | -179.7 | 173.7 | 104.1 | -4.3 | 113.3 | G343 A344 P348 D369 | G343-R346 WeakPolarHBondContact O-CB 3.3Å; G343-R346 PolarHBondContact O-N 2.99Å; A344-R346 PolarHBondContact O-N 2.91Å; A344-R346 VanDerWaalsContact O-N 3.13Å; R346-P348 WeakPolarHBondContact O-CD 3.33Å; R346-D369 IonicContact CZ-OD1 2.69Å; R346-D369 IonicContact CZ-OD2 3.04Å; R346-D369 IonicContact NH1-OD1 3.97Å; R346-D369 PolarHBondContact NH1-OD1 2.66Å; R346-D369 IonicContact NH1-OD2 3.36Å; R346-D369 PolarHBondContact NH1-OD2 3.17Å; R346-D369 VanDerWaalsContact NH2-CG 3.31Å; R346-D369 IonicContact NH2-OD1 2.87Å; R346-D369 PolarHBondContact NH2-OD1 3.25Å; R346-D369 IonicContact NH2-OD2 2.86Å; R346-D369 PolarHBondContact NH2-OD2 3.3Å |
| 347 | I | 96.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -65.4 | 122.4 | 173.6 | -61.2 | 171.8 | 0 | 0 | 0 | 108.7 | F236 K274 A344 T345 S349 I350 K351 | F236-I347 HydrophobicContact CD1-CD1 4.17Å; F236-I347 HydrophobicContact CD2-CD1 4.22Å; F236-I347 HydrophobicContact CE1-CD1 4.38Å; F236-I347 HydrophobicContact CE2-CD1 4.47Å; F236-I347 HydrophobicContact CG-CD1 4.1Å; K274-I347 HydrophobicContact CD-CD1 4.47Å; A344-I347 WeakPolarHBondContact O-CB 3.49Å; A344-I347 WeakPolarHBondContact O-CG1 3.15Å; A344-I347 PolarHBondContact O-N 3.26Å; T345-I347 PolarHBondContact O-N 2.95Å; I347-S349 WeakPolarHBondContact CG2-OG 3.45Å; I347-S349 PolarHBondContact O-N 2.91Å; I347-I350 HydrophobicContact CB-CB 4.41Å; I347-I350 HydrophobicContact CB-CG1 3.83Å; I347-I350 HydrophobicContact CG2-CG1 4.05Å; I347-I350 WeakPolarHBondContact O-CB 3.43Å; I347-I350 PolarHBondContact O-N 3.34Å; I347-I350 VanDerWaalsContact O-N 3.11Å; I347-K351 PolarHBondContact O-N 3.4Å |
| 348 | P | 96.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 17% | 0.169 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.8 | -47.7 | -174.4 | -29.9 | 37.2 | 0 | 0 | 0 | 114.4 | R346 I350 K351 E352 | R346-P348 WeakPolarHBondContact O-CD 3.33Å; P348-I350 PolarHBondContact O-N 3.26Å; P348-I350 VanDerWaalsContact O-N 3.16Å; P348-K351 WeakPolarHBondContact O-CB 3.39Å; P348-K351 PolarHBondContact O-N 2.88Å; P348-E352 WeakPolarHBondContact O-CG 3.49Å; P348-E352 PolarHBondContact O-N 3.49Å |
| 349 | S | 96.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -25.2 | 178.5 | 45.6 | 0 | 0 | 0 | 0 | 114.5 | E307 I347 R353 | E307-S349 WeakPolarHBondContact OE1-CB 3.48Å; E307-S349 PolarHBondContact OE1-N 3.16Å; E307-S349 PolarHBondContact OE1-OG 2.97Å; I347-S349 WeakPolarHBondContact CG2-OG 3.45Å; I347-S349 PolarHBondContact O-N 2.91Å; S349-R353 WeakPolarHBondContact O-CG 2.89Å; S349-R353 PolarHBondContact O-N 3.2Å |
| 350 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.2 | -48.4 | 172 | -61.1 | -65 | 0 | 0 | 0 | 110.2 | M203 F236 L314 V317 I347 P348 E352 R353 I354 | M203-I350 HydrophobicContact CE-CD1 4.26Å; M203-I350 HydrophobicContact SD-CD1 3.89Å; M203-I350 HydrophobicContact SD-CG1 4.1Å; M203-I350 HydrophobicContact SD-CG2 4.04Å; F236-I350 HydrophobicContact CZ-CD1 4.09Å; L314-I350 HydrophobicContact CD2-CD1 3.61Å; L314-I350 HydrophobicContact CD2-CG1 4.33Å; V317-I350 HydrophobicContact CG2-CD1 3.63Å; I347-I350 HydrophobicContact CB-CB 4.41Å; I347-I350 HydrophobicContact CB-CG1 3.83Å; I347-I350 HydrophobicContact CG2-CG1 4.05Å; I347-I350 WeakPolarHBondContact O-CB 3.43Å; I347-I350 PolarHBondContact O-N 3.34Å; I347-I350 VanDerWaalsContact O-N 3.11Å; P348-I350 PolarHBondContact O-N 3.26Å; P348-I350 VanDerWaalsContact O-N 3.16Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 2.88Å; I350-R353 PolarHBondContact O-N 3.23Å; I350-I354 HydrophobicContact CG2-CD1 3.83Å; I350-I354 WeakPolarHBondContact O-CG1 3.35Å; I350-I354 PolarHBondContact O-N 3.42Å; I350-I354 VanDerWaalsContact O-N 3.09Å |
| 351 | K | 96.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 178 | -65.2 | -176.4 | 177.9 | -179.8 | 0 | 111.7 | T345 I347 P348 R353 I354 T355 V362 | T345-K351 WeakPolarHBondContact O-CE 3.44Å; T345-K351 WeakPolarHBondContact O-CG 3.3Å; I347-K351 PolarHBondContact O-N 3.4Å; P348-K351 WeakPolarHBondContact O-CB 3.39Å; P348-K351 PolarHBondContact O-N 2.88Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 2.87Å; K351-I354 PolarHBondContact O-N 2.95Å; K351-T355 VanDerWaalsContact O-CB 3.31Å; K351-T355 WeakPolarHBondContact O-CB 3.16Å; K351-T355 PolarHBondContact O-N 3.01Å; K351-T355 PolarHBondContact O-OG1 3.33Å; K351-V362 HydrophobicContact CB-CG2 4.15Å; K351-V362 HydrophobicContact CD-CG2 4.22Å; K351-V362 HydrophobicContact CG-CG2 4.25Å |
| 352 | E | 96.3 | Very high | 96.3 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.9 | -43 | 177.7 | -72.3 | 173.7 | -168.6 | 0 | 0 | 111.7 | P348 I350 T355 K356 | P348-E352 WeakPolarHBondContact O-CG 3.49Å; P348-E352 PolarHBondContact O-N 3.49Å; I350-E352 VanDerWaalsContact C-N 3.31Å; I350-E352 PolarHBondContact O-N 2.88Å; E352-T355 PolarHBondContact O-N 3.14Å; E352-K356 WeakPolarHBondContact O-CB 3.32Å; E352-K356 PolarHBondContact O-N 3.34Å |
| 353 | R | 96.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.8 | -74.7 | -178.1 | -175.2 | -90.8 | 5.5 | 112.9 | L314 V317 E318 S349 I350 K351 K356 Y357 | L314-R353 WeakPolarHBondContact O-CD 3.42Å; L314-R353 PolarHBondContact O-NE 2.95Å; V317-R353 HydrophobicContact CG1-CB 4.48Å; E318-R353 IonicContact OE1-NH1 3.37Å; E318-R353 PolarHBondContact OE1-NH1 2.97Å; S349-R353 WeakPolarHBondContact O-CG 2.89Å; S349-R353 PolarHBondContact O-N 3.2Å; I350-R353 PolarHBondContact O-N 3.23Å; K351-R353 VanDerWaalsContact C-N 3.34Å; K351-R353 PolarHBondContact O-N 2.87Å; R353-K356 PolarHBondContact O-N 2.94Å; R353-Y357 WeakPolarHBondContact O-CB 3.24Å; R353-Y357 PolarHBondContact O-N 3.24Å |
| 354 | I | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.3 | -63.8 | 162 | 0 | 0 | 0 | 110 | V201 L321 V338 V340 I350 K351 K356 Y357 F358 V362 | V201-I354 HydrophobicContact CB-CD1 4.36Å; V201-I354 HydrophobicContact CG1-CD1 3.71Å; V201-I354 HydrophobicContact CG1-CG1 4.37Å; V201-I354 HydrophobicContact CG2-CG2 4.25Å; L321-I354 HydrophobicContact CD1-CG1 4.19Å; L321-I354 HydrophobicContact CD2-CG1 4.46Å; V338-I354 HydrophobicContact CG1-CG2 3.66Å; V340-I354 HydrophobicContact CG1-CD1 4.1Å; I350-I354 HydrophobicContact CG2-CD1 3.83Å; I350-I354 WeakPolarHBondContact O-CG1 3.35Å; I350-I354 PolarHBondContact O-N 3.42Å; I350-I354 VanDerWaalsContact O-N 3.09Å; K351-I354 PolarHBondContact O-N 2.95Å; I354-K356 PolarHBondContact O-N 2.85Å; I354-Y357 PolarHBondContact O-N 3.06Å; I354-F358 HydrophobicContact CG2-CD2 4.05Å; I354-F358 HydrophobicContact CG2-CE2 4.37Å; I354-F358 PolarHBondContact O-N 3.02Å; I354-F358 VanDerWaalsContact O-N 3.1Å; I354-V362 HydrophobicContact CB-CG1 4.05Å; I354-V362 HydrophobicContact CG2-CG1 3.61Å |
| 355 | T | 96.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | K351 E352 Y357 C359 K360 | K351-T355 VanDerWaalsContact O-CB 3.31Å; K351-T355 WeakPolarHBondContact O-CB 3.16Å; K351-T355 PolarHBondContact O-N 3.01Å; K351-T355 PolarHBondContact O-OG1 3.33Å; E352-T355 PolarHBondContact O-N 3.14Å; T355-Y357 PolarHBondContact O-N 3.48Å; T355-C359 VanDerWaalsContact O-CA 3.26Å; T355-C359 WeakPolarHBondContact O-CA 3.26Å; T355-C359 PolarHBondContact O-N 3.41Å; T355-K360 WeakPolarHBondContact CA-O 3.47Å; T355-K360 PolarHBondContact O-N 3.23Å |
| 356 | K | 96.1 | Very high | 96 | Very high | 164 Ų | 164 | 57.6 Ų | 57.6 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 177.8 | -176.6 | 178 | 179.1 | -178.7 | 0 | 112.2 | E352 R353 I354 | E352-K356 WeakPolarHBondContact O-CB 3.32Å; E352-K356 PolarHBondContact O-N 3.34Å; R353-K356 PolarHBondContact O-N 2.94Å; I354-K356 PolarHBondContact O-N 2.85Å |
| 357 | Y | 95.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 56 Ų | 56 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.2 | -48.8 | -179.3 | -177.4 | -93.9 | 0 | 0 | 0 | 111.9 | L321 K322 F325 R332 R353 I354 T355 | L321-Y357 HydrophobicContact CB-CD1 3.71Å; L321-Y357 HydrophobicContact CB-CD2 4.38Å; L321-Y357 HydrophobicContact CB-CE1 3.95Å; L321-Y357 HydrophobicContact CB-CG 3.98Å; L321-Y357 HydrophobicContact CD1-CD1 4.45Å; L321-Y357 HydrophobicContact CD1-CG 4.21Å; K322-Y357 VanDerWaalsContact CA-OH 3.26Å; K322-Y357 WeakPolarHBondContact CA-OH 3.21Å; K322-Y357 HydrophobicContact CB-CE2 4.01Å; F325-Y357 HydrophobicContact CB-CE1 4.1Å; F325-Y357 HydrophobicContact CG-CE1 4.36Å; R332-Y357 VanDerWaalsContact CZ-O 3.27Å; R332-Y357 PolarHBondContact NH2-O 2.95Å; R353-Y357 WeakPolarHBondContact O-CB 3.24Å; R353-Y357 PolarHBondContact O-N 3.24Å; I354-Y357 PolarHBondContact O-N 3.06Å; T355-Y357 PolarHBondContact O-N 3.48Å |
| 358 | F | 95.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -84.9 | -10.4 | -178.6 | -71.9 | -66.1 | 0 | 0 | 0 | 114.2 | V199 L321 F325 V338 I354 K360 | V199-F358 HydrophobicContact CB-CZ 4.34Å; V199-F358 HydrophobicContact CG1-CE1 4.49Å; V199-F358 HydrophobicContact CG1-CE2 3.86Å; V199-F358 HydrophobicContact CG1-CZ 3.68Å; V199-F358 HydrophobicContact CG2-CE1 4Å; V199-F358 HydrophobicContact CG2-CZ 4.02Å; L321-F358 HydrophobicContact CD2-CE2 3.66Å; L321-F358 HydrophobicContact CD2-CZ 4.19Å; F325-F358 HydrophobicContact CD2-CE1 4.02Å; V338-F358 HydrophobicContact CG1-CD2 4.02Å; V338-F358 HydrophobicContact CG1-CE2 4.25Å; V338-F358 HydrophobicContact CG2-CB 3.94Å; V338-F358 HydrophobicContact CG2-CD2 3.8Å; V338-F358 HydrophobicContact CG2-CE2 4.45Å; V338-F358 HydrophobicContact CG2-CG 3.86Å; I354-F358 HydrophobicContact CG2-CD2 4.05Å; I354-F358 HydrophobicContact CG2-CE2 4.37Å; I354-F358 PolarHBondContact O-N 3.02Å; I354-F358 VanDerWaalsContact O-N 3.1Å; F358-K360 HydrophobicContact CB-CB 4.48Å; F358-K360 PolarHBondContact O-N 3.44Å |
| 359 | C | 95.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 64% | 0.635 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38 | -170.8 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | R332 T355 | R332-C359 PolarHBondContact NH1-SG 3.29Å; T355-C359 VanDerWaalsContact O-CA 3.26Å; T355-C359 WeakPolarHBondContact O-CA 3.26Å; T355-C359 PolarHBondContact O-N 3.41Å |
| 360 | K | 95.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 58.4 Ų | 58.4 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -148.8 | 138 | -178.5 | 177.6 | 163.7 | -91.2 | -169.4 | 0 | 109.4 | I335 Y336 T355 F358 | I335-K360 PolarHBondContact O-NZ 3.42Å; Y336-K360 PolarHBondContact O-NZ 3.24Å; T355-K360 WeakPolarHBondContact CA-O 3.47Å; T355-K360 PolarHBondContact O-N 3.23Å; F358-K360 HydrophobicContact CB-CB 4.48Å; F358-K360 PolarHBondContact O-N 3.44Å |
| 361 | D | 96.2 | Very high | 95.6 | Very high | 128 Ų | 128 | 58.6 Ų | 58.6 | 68% | 0.684 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -62 | 140.3 | 179.1 | -66.2 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 362 | V | 96.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.4 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | V338 V340 K351 I354 | V338-V362 HydrophobicContact CG1-CG1 4.35Å; V338-V362 CarbonylContact O-C 3.52Å; V338-V362 WeakPolarHBondContact O-CA 3.46Å; V340-V362 HydrophobicContact CG1-CB 3.88Å; V340-V362 HydrophobicContact CG1-CG1 3.75Å; V340-V362 HydrophobicContact CG2-CB 4.31Å; K351-V362 HydrophobicContact CB-CG2 4.15Å; K351-V362 HydrophobicContact CD-CG2 4.22Å; K351-V362 HydrophobicContact CG-CG2 4.25Å; I354-V362 HydrophobicContact CB-CG1 4.05Å; I354-V362 HydrophobicContact CG2-CG1 3.61Å |
| 363 | S | 96.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.6 | 174.9 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | V338 E339 V340 | V338-S363 PolarHBondContact O-N 2.9Å; E339-S363 WeakPolarHBondContact CA-O 3.47Å; E339-S363 WeakPolarHBondContact OE1-CB 3.5Å; E339-S363 VanDerWaalsContact OE2-C 3.27Å; E339-S363 WeakPolarHBondContact OE2-CB 3.41Å; V340-S363 PolarHBondContact N-O 3.21Å; V340-S363 VanDerWaalsContact N-O 3.11Å |
| 364 | T | 94.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | trans | -128 | 43.8 | 177.4 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | V340 L366 | V340-T364 HydrophobicContact CG2-CG2 3.86Å; T364-L366 PolarHBondContact O-N 2.89Å | ||
| 365 | T | 93.6 | Very high | 95.8 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 53% | 0.534 | 27% | 0.27 | S | S | . | . | trans | -73.1 | -20.8 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 112 | E339 | E339-T365 WeakPolarHBondContact OE1-CG2 3.35Å; E339-T365 PolarHBondContact OE1-OG1 3.07Å; E339-T365 PolarHBondContact OE2-N 2.95Å; E339-T365 PolarHBondContact OE2-OG1 3.44Å | ||
| 366 | L | 94.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -96.3 | 148.6 | 174.2 | -57.1 | 174.3 | 0 | 0 | 0 | 110.8 | V177 Y181 F200 V341 T364 A368 A371 | V177-L366 HydrophobicContact CG1-CD1 3.49Å; V177-L366 VanDerWaalsContact CG1-CD1 3.49Å; Y181-L366 HydrophobicContact CD2-CD1 4.29Å; Y181-L366 HydrophobicContact CD2-CD2 4.33Å; Y181-L366 HydrophobicContact CD2-CG 4.34Å; F200-L366 HydrophobicContact CE1-CD1 4.06Å; V341-L366 HydrophobicContact CG1-CB 4.41Å; V341-L366 HydrophobicContact CG1-CD1 4.47Å; T364-L366 PolarHBondContact O-N 2.89Å; L366-A368 PolarHBondContact O-N 3.08Å; L366-A371 HydrophobicContact CB-CB 4.13Å |
| 367 | N | 94.9 | Very high | 95.9 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -69.1 | 116.2 | 167.8 | -176.5 | -29.7 | 0 | 0 | 0 | 109.2 | D369 E370 A371 | N367-D369 PolarHBondContact O-N 3.37Å; N367-D369 VanDerWaalsContact O-N 3.14Å; N367-D369 PolarHBondContact OD1-N 3.17Å; N367-E370 HydrophobicContact CB-CB 4.08Å; N367-E370 HydrophobicContact CB-CG 4.5Å; N367-E370 WeakPolarHBondContact ND2-CG 3.37Å; N367-E370 PolarHBondContact ND2-OE2 2.66Å; N367-E370 PolarHBondContact O-N 3.22Å; N367-E370 PolarHBondContact OD1-N 3.45Å; N367-A371 WeakPolarHBondContact O-CB 3.42Å; N367-A371 PolarHBondContact O-N 2.8Å | ||
| 368 | A | 93.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G342 L366 | G342-A368 PolarHBondContact N-O 3.15Å; L366-A368 PolarHBondContact O-N 3.08Å |
| 369 | D | 94.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -30.9 | -178.3 | -62.6 | -36.1 | 0 | 0 | 0 | 112.4 | Y14 R346 N367 | Y14-D369 WeakPolarHBondContact CD2-O 3.32Å; Y14-D369 HydrophobicContact CE1-CB 3.96Å; Y14-D369 HydrophobicContact CE2-CB 4.35Å; R346-D369 IonicContact CZ-OD1 2.69Å; R346-D369 IonicContact CZ-OD2 3.04Å; R346-D369 IonicContact NH1-OD1 3.97Å; R346-D369 PolarHBondContact NH1-OD1 2.66Å; R346-D369 IonicContact NH1-OD2 3.36Å; R346-D369 PolarHBondContact NH1-OD2 3.17Å; R346-D369 VanDerWaalsContact NH2-CG 3.31Å; R346-D369 IonicContact NH2-OD1 2.87Å; R346-D369 PolarHBondContact NH2-OD1 3.25Å; R346-D369 IonicContact NH2-OD2 2.86Å; R346-D369 PolarHBondContact NH2-OD2 3.3Å; N367-D369 PolarHBondContact O-N 3.37Å; N367-D369 VanDerWaalsContact O-N 3.14Å; N367-D369 PolarHBondContact OD1-N 3.17Å |
| 370 | E | 96 | Very high | 95.9 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -16.7 | -169.7 | -61.5 | -179 | 157.2 | 0 | 0 | 113.6 | T25 R33 N367 V372 A373 R374 | T25-E370 HydrophobicContact CG2-CB 3.65Å; T25-E370 HydrophobicContact CG2-CG 3.71Å; T25-E370 VanDerWaalsContact OG1-CD 3.24Å; T25-E370 PolarHBondContact OG1-OE1 3.1Å; R33-E370 WeakPolarHBondContact CD-OE1 3.22Å; R33-E370 IonicContact CZ-OE1 3.53Å; R33-E370 IonicContact NE-OE1 3.42Å; R33-E370 IonicContact NH1-OE1 2.73Å; R33-E370 PolarHBondContact NH1-OE1 3.18Å; R33-E370 IonicContact NH1-OE2 3.56Å; N367-E370 HydrophobicContact CB-CB 4.08Å; N367-E370 HydrophobicContact CB-CG 4.5Å; N367-E370 WeakPolarHBondContact ND2-CG 3.37Å; N367-E370 PolarHBondContact ND2-OE2 2.66Å; N367-E370 PolarHBondContact O-N 3.22Å; N367-E370 PolarHBondContact OD1-N 3.45Å; E370-V372 VanDerWaalsContact C-N 3.3Å; E370-V372 PolarHBondContact O-N 2.81Å; E370-A373 PolarHBondContact O-N 3.34Å; E370-R374 WeakPolarHBondContact O-CG 3.49Å; E370-R374 PolarHBondContact O-N 2.82Å |
| 371 | A | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V177 V341 L366 N367 G375 | V177-A371 HydrophobicContact CG1-CB 4.32Å; V177-A371 HydrophobicContact CG2-CB 4.07Å; V341-A371 HydrophobicContact CG1-CB 4.21Å; L366-A371 HydrophobicContact CB-CB 4.13Å; N367-A371 WeakPolarHBondContact O-CB 3.42Å; N367-A371 PolarHBondContact O-N 2.8Å; A371-G375 PolarHBondContact O-N 3.32Å |
| 372 | V | 97.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -53.4 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | D7 S143 D173 A176 V177 E370 R374 G375 C376 | D7-V372 HydrophobicContact CB-CB 4.04Å; D7-V372 HydrophobicContact CB-CG1 3.9Å; S143-V372 VanDerWaalsContact CB-CG1 3.49Å; D173-V372 HydrophobicContact CB-CG1 4.32Å; D173-V372 HydrophobicContact CB-CG2 4.5Å; A176-V372 HydrophobicContact CB-CG1 4.3Å; V177-V372 HydrophobicContact CG2-CB 4.42Å; V177-V372 HydrophobicContact CG2-CG2 3.6Å; E370-V372 VanDerWaalsContact C-N 3.3Å; E370-V372 PolarHBondContact O-N 2.81Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 3.12Å; V372-G375 WeakPolarHBondContact O-CA 3.34Å; V372-G375 PolarHBondContact O-N 3.36Å; V372-G375 VanDerWaalsContact O-N 3.1Å; V372-C376 PolarHBondContact O-N 2.95Å; V372-C376 PolarHBondContact O-SG 3.44Å; V372-C376 VanDerWaalsContact O-SG 3.38Å |
| 373 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D7 A16 E370 G375 C376 A377 | D7-A373 HydrophobicContact CB-CB 3.85Å; A16-A373 HydrophobicContact CB-CB 4.09Å; A16-A373 WeakPolarHBondContact CB-O 3.44Å; E370-A373 PolarHBondContact O-N 3.34Å; A373-G375 VanDerWaalsContact C-N 3.33Å; A373-G375 PolarHBondContact O-N 3.04Å; A373-C376 WeakPolarHBondContact O-CB 3.45Å; A373-C376 PolarHBondContact O-N 3.36Å; A373-A377 PolarHBondContact O-N 3.18Å |
| 374 | R | 96.9 | Very high | 95 | Very high | 68 Ų | 68 | 27.9 Ų | 27.9 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.2 | -67.6 | -175.1 | 76.8 | -143.3 | 1 | 111.7 | A16 I23 T25 E370 V372 A377 L378 | A16-R374 HydrophobicContact CB-CG 4.14Å; I23-R374 HydrophobicContact CG2-CB 4.14Å; I23-R374 HydrophobicContact CG2-CG 4.22Å; I23-R374 PolarHBondContact O-NE 2.85Å; I23-R374 PolarHBondContact O-NH2 2.82Å; T25-R374 HydrophobicContact CG2-CG 4.06Å; E370-R374 WeakPolarHBondContact O-CG 3.49Å; E370-R374 PolarHBondContact O-N 2.82Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 3.12Å; R374-A377 PolarHBondContact O-N 2.94Å; R374-L378 VanDerWaalsContact O-CG 3.31Å; R374-L378 WeakPolarHBondContact O-CG 3.33Å; R374-L378 PolarHBondContact O-N 2.82Å |
| 375 | G | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A176 L179 A371 V372 A373 A377 L378 Q379 | A176-G375 VanDerWaalsContact O-CA 3.23Å; A176-G375 WeakPolarHBondContact O-CA 3.4Å; L179-G375 WeakPolarHBondContact CD2-O 3.41Å; A371-G375 PolarHBondContact O-N 3.32Å; V372-G375 WeakPolarHBondContact O-CA 3.34Å; V372-G375 PolarHBondContact O-N 3.36Å; V372-G375 VanDerWaalsContact O-N 3.1Å; A373-G375 VanDerWaalsContact C-N 3.33Å; A373-G375 PolarHBondContact O-N 3.04Å; G375-A377 VanDerWaalsContact C-N 3.33Å; G375-A377 PolarHBondContact O-N 3.47Å; G375-L378 PolarHBondContact O-N 3.3Å; G375-Q379 PolarHBondContact O-N 2.86Å |
| 376 | C | 98 | Very high | 94 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | G5 V141 I171 V372 A373 Q379 C380 | G5-C376 VanDerWaalsContact CA-CB 3.45Å; V141-C376 HydrophobicContact CB-CB 4.28Å; V141-C376 WeakPolarHBondContact CB-O 3.4Å; V141-C376 HydrophobicContact CG1-CB 3.88Å; I171-C376 WeakPolarHBondContact CG2-SG 3.4Å; V372-C376 PolarHBondContact O-N 2.95Å; V372-C376 PolarHBondContact O-SG 3.44Å; V372-C376 VanDerWaalsContact O-SG 3.38Å; A373-C376 WeakPolarHBondContact O-CB 3.45Å; A373-C376 PolarHBondContact O-N 3.36Å; C376-Q379 PolarHBondContact O-N 3.34Å; C376-C380 WeakPolarHBondContact O-CB 3.36Å; C376-C380 PolarHBondContact O-N 2.92Å |
| 377 | A | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.4 | -36.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V3 A16 I23 A373 R374 G375 C380 A381 | V3-A377 WeakPolarHBondContact CG1-O 3.44Å; A16-A377 HydrophobicContact CB-CB 3.71Å; A16-A377 WeakPolarHBondContact O-CB 3.34Å; I23-A377 HydrophobicContact CD1-CB 4.07Å; I23-A377 HydrophobicContact CG2-CB 3.65Å; A373-A377 PolarHBondContact O-N 3.18Å; R374-A377 PolarHBondContact O-N 2.94Å; G375-A377 VanDerWaalsContact C-N 3.33Å; G375-A377 PolarHBondContact O-N 3.47Å; A377-C380 PolarHBondContact O-N 3.11Å; A377-A381 WeakPolarHBondContact O-CB 3.31Å; A377-A381 PolarHBondContact O-N 3.46Å |
| 378 | L | 95.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 170 | -73.8 | 165.8 | 0 | 0 | 0 | 111.5 | I23 L179 A180 I183 Y184 R374 G375 C380 A381 I382 | I23-L378 HydrophobicContact CG1-CD2 3.6Å; I23-L378 HydrophobicContact CG1-CG 3.93Å; L179-L378 HydrophobicContact CD2-CB 3.91Å; L179-L378 HydrophobicContact CG-CB 4.21Å; A180-L378 HydrophobicContact CB-CD1 4.14Å; I183-L378 HydrophobicContact CD1-CD2 4.21Å; I183-L378 HydrophobicContact CG2-CD1 3.68Å; I183-L378 HydrophobicContact CG2-CD2 4.11Å; Y184-L378 HydrophobicContact CE2-CD1 4.1Å; R374-L378 VanDerWaalsContact O-CG 3.31Å; R374-L378 WeakPolarHBondContact O-CG 3.33Å; R374-L378 PolarHBondContact O-N 2.82Å; G375-L378 PolarHBondContact O-N 3.3Å; L378-C380 VanDerWaalsContact C-N 3.3Å; L378-C380 PolarHBondContact O-N 3.06Å; L378-A381 WeakPolarHBondContact O-CB 3.39Å; L378-A381 PolarHBondContact O-N 2.82Å; L378-I382 WeakPolarHBondContact O-CG1 3.4Å; L378-I382 PolarHBondContact O-N 2.87Å |
| 379 | Q | 95.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.7 | -179.2 | 58.7 | 32.7 | 0 | 0 | 111.7 | V141 R169 I171 L179 G375 C376 A381 I382 L383 | V141-Q379 HydrophobicContact CG1-CB 4.16Å; V141-Q379 HydrophobicContact CG1-CG 4.14Å; V141-Q379 HydrophobicContact CG2-CB 4.38Å; V141-Q379 HydrophobicContact CG2-CG 4.13Å; R169-Q379 VanDerWaalsContact NH1-NE2 3.11Å; I171-Q379 HydrophobicContact CD1-CB 4.13Å; I171-Q379 HydrophobicContact CD1-CG 4.12Å; L179-Q379 HydrophobicContact CD2-CB 3.8Å; G375-Q379 PolarHBondContact O-N 2.86Å; C376-Q379 PolarHBondContact O-N 3.34Å; Q379-A381 VanDerWaalsContact C-N 3.33Å; Q379-I382 PolarHBondContact O-N 2.69Å; Q379-L383 HydrophobicContact CG-CD1 4.28Å; Q379-L383 WeakPolarHBondContact O-CG 3.4Å; Q379-L383 PolarHBondContact O-N 2.9Å; Q379-L383 VanDerWaalsContact O-N 3.13Å |
| 380 | C | 95.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | V3 V4 V141 C376 A377 L378 L383 S384 | V3-C380 HydrophobicContact CG1-CB 3.92Å; V4-C380 PolarHBondContact N-SG 3.22Å; V141-C380 HydrophobicContact CB-CB 4.07Å; V141-C380 HydrophobicContact CG2-CB 3.64Å; C376-C380 WeakPolarHBondContact O-CB 3.36Å; C376-C380 PolarHBondContact O-N 2.92Å; A377-C380 PolarHBondContact O-N 3.11Å; L378-C380 VanDerWaalsContact C-N 3.3Å; L378-C380 PolarHBondContact O-N 3.06Å; C380-L383 PolarHBondContact O-N 2.81Å; C380-S384 WeakPolarHBondContact O-CB 3.4Å; C380-S384 PolarHBondContact O-N 3.21Å |
| 381 | A | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V3 A377 L378 Q379 L383 S384 V389 | V3-A381 HydrophobicContact CG1-CB 3.88Å; V3-A381 HydrophobicContact CG2-CB 4.36Å; A377-A381 WeakPolarHBondContact O-CB 3.31Å; A377-A381 PolarHBondContact O-N 3.46Å; L378-A381 WeakPolarHBondContact O-CB 3.39Å; L378-A381 PolarHBondContact O-N 2.82Å; Q379-A381 VanDerWaalsContact C-N 3.33Å; A381-L383 VanDerWaalsContact C-N 3.27Å; A381-L383 PolarHBondContact O-N 3.4Å; A381-S384 PolarHBondContact O-N 3.1Å; A381-S384 VanDerWaalsContact O-N 3.17Å; A381-V389 HydrophobicContact CB-CG1 3.65Å |
| 382 | I | 92.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.1 | -68.4 | 166.6 | 0 | 0 | 0 | 111.7 | L179 L378 Q379 S384 V389 F392 | L179-I382 HydrophobicContact CD1-CD1 4.1Å; L179-I382 HydrophobicContact CD2-CD1 4.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.4Å; L378-I382 PolarHBondContact O-N 2.87Å; Q379-I382 PolarHBondContact O-N 2.69Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-V389 VanDerWaalsContact CA-CG2 3.48Å; I382-V389 HydrophobicContact CB-CG2 4.07Å; I382-V389 HydrophobicContact CG1-CG2 3.51Å; I382-F392 HydrophobicContact CD1-CB 4.33Å |
| 383 | L | 91.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -83.2 | -12.1 | 179.5 | -64.8 | 172.5 | 0 | 0 | 0 | 112.9 | V141 L168 R169 Q379 C380 A381 | V141-L383 HydrophobicContact CG2-CD1 4.34Å; L168-L383 HydrophobicContact CB-CD1 3.82Å; L168-L383 HydrophobicContact CD1-CB 3.98Å; R169-L383 HydrophobicContact CB-CD1 3.84Å; Q379-L383 HydrophobicContact CG-CD1 4.28Å; Q379-L383 WeakPolarHBondContact O-CG 3.4Å; Q379-L383 PolarHBondContact O-N 2.9Å; Q379-L383 VanDerWaalsContact O-N 3.13Å; C380-L383 PolarHBondContact O-N 2.81Å; A381-L383 VanDerWaalsContact C-N 3.27Å; A381-L383 PolarHBondContact O-N 3.4Å |
| 384 | S | 87.7 | Confident | 90.6 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -83.3 | 125.2 | -177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | M1 C380 A381 I382 A386 F387 | M1-S384 PolarHBondContact SD-OG 3.03Å; C380-S384 WeakPolarHBondContact O-CB 3.4Å; C380-S384 PolarHBondContact O-N 3.21Å; A381-S384 PolarHBondContact O-N 3.1Å; A381-S384 VanDerWaalsContact O-N 3.17Å; I382-S384 VanDerWaalsContact C-N 3.34Å; S384-A386 PolarHBondContact O-N 2.92Å; S384-A386 PolarHBondContact OG-N 3.37Å; S384-F387 PolarHBondContact O-N 3.45Å | ||
| 385 | P | 85 | Confident | 90.6 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 75% | 0.747 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.5 | 172.8 | 28.6 | -35.9 | 0 | 0 | 0 | 113 | M1 | M1-P385 HydrophobicContact CE-CG 4.01Å; M1-P385 HydrophobicContact SD-CG 4.39Å |
| 386 | A | 82.7 | Confident | 90.6 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -22.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 S384 | M1-A386 HydrophobicContact CB-CB 4.28Å; S384-A386 PolarHBondContact O-N 2.92Å; S384-A386 PolarHBondContact OG-N 3.37Å |
| 387 | F | 80.6 | Confident | 90.5 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | trans | -111.9 | 121.4 | -176.2 | -72.7 | -93.1 | 0 | 0 | 0 | 110.4 | V3 A18 S384 V389 | V3-F387 HydrophobicContact CB-CE2 4.26Å; V3-F387 HydrophobicContact CG2-CD2 3.31Å; V3-F387 HydrophobicContact CG2-CE2 3.4Å; V3-F387 HydrophobicContact CG2-CG 4.06Å; V3-F387 HydrophobicContact CG2-CZ 4.19Å; A18-F387 HydrophobicContact CB-CD1 4.48Å; A18-F387 HydrophobicContact CB-CE1 3.97Å; A18-F387 HydrophobicContact CB-CZ 4.18Å; S384-F387 PolarHBondContact O-N 3.45Å; F387-V389 PolarHBondContact O-N 3.19Å | ||
| 388 | K | 79.9 | Confident | 90.4 | Very high | 216 Ų | 216 | 52.6 Ų | 52.6 | 94% | 0.939 | 28% | 0.277 | S | S | * | . | trans | -85.1 | 102.1 | 169.4 | -68.9 | -172.2 | -178.9 | -178.5 | 0 | 109 | ||||
| 389 | V | 84.1 | Confident | 90.3 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.327 | 28% | 0.28 | S | S | . | . | trans | -104.3 | 161.4 | 171.8 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | A381 I382 F387 E391 | A381-V389 HydrophobicContact CB-CG1 3.65Å; I382-V389 VanDerWaalsContact CA-CG2 3.48Å; I382-V389 HydrophobicContact CB-CG2 4.07Å; I382-V389 HydrophobicContact CG1-CG2 3.51Å; F387-V389 PolarHBondContact O-N 3.19Å; V389-E391 PolarHBondContact O-N 2.87Å | ||
| 390 | R | 84.3 | Confident | 90.2 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | trans | -57.2 | 132 | 174.4 | -170 | -177.5 | -168.8 | 173.6 | 11.5 | 109.4 | F392 | R390-F392 PolarHBondContact O-N 3.4Š| ||
| 391 | E | 85.2 | Confident | 90.2 | Very high | 178 Ų | 178 | 53.6 Ų | 53.6 | 83% | 0.832 | 29% | 0.285 | S | S | * | . | trans | -59.2 | 122.6 | 175.2 | -69.4 | -174.3 | 178 | 0 | 0 | 110.2 | V389 | V389-E391 PolarHBondContact O-N 2.87Š| ||
| 392 | F | 91.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | trans | -142.7 | 108.1 | -178.6 | -160.4 | -89.7 | 0 | 0 | 0 | 110 | L179 I183 F215 G218 L220 I382 R390 I394 | L179-F392 HydrophobicContact CD1-CD1 3.36Å; L179-F392 HydrophobicContact CD1-CE1 3.66Å; L179-F392 HydrophobicContact CD1-CG 4.1Å; I183-F392 HydrophobicContact CB-CD2 4.41Å; I183-F392 HydrophobicContact CD1-CB 4.42Å; I183-F392 HydrophobicContact CG1-CB 4.5Å; I183-F392 HydrophobicContact CG1-CD2 4.28Å; I183-F392 HydrophobicContact CG1-CG 4.47Å; F215-F392 HydrophobicContact CD1-CZ 4.18Å; F215-F392 HydrophobicContact CE1-CZ 4.16Å; G218-F392 CarbonylContact O-C 3.5Å; G218-F392 WeakPolarHBondContact O-CA 3.42Å; L220-F392 HydrophobicContact CB-CD1 4.47Å; L220-F392 HydrophobicContact CB-CE1 3.41Å; L220-F392 VanDerWaalsContact CB-CE1 3.41Å; L220-F392 HydrophobicContact CB-CZ 3.78Å; L220-F392 HydrophobicContact CD2-CE1 4.27Å; L220-F392 HydrophobicContact CG-CE1 4.49Å; I382-F392 HydrophobicContact CD1-CB 4.33Å; R390-F392 PolarHBondContact O-N 3.4Å; F392-I394 HydrophobicContact CD1-CG1 3.98Å; F392-I394 HydrophobicContact CE1-CG1 4.32Å | ||
| 393 | S | 93.5 | Very high | 90.4 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131.8 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | G218 K219 L220 | G218-S393 PolarHBondContact O-N 3.37Å; K219-S393 WeakPolarHBondContact CA-O 3.49Å; L220-S393 PolarHBondContact N-O 3.16Å |
| 394 | I | 95.9 | Very high | 90.6 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.3 | 177 | -53.8 | 174.7 | 0 | 0 | 0 | 108.9 | T175 L179 L220 F392 | T175-I394 HydrophobicContact CG2-CG2 3.65Å; L179-I394 HydrophobicContact CB-CD1 4.24Å; L179-I394 HydrophobicContact CD1-CD1 3.81Å; L179-I394 HydrophobicContact CD1-CG1 4.37Å; L179-I394 HydrophobicContact CD2-CD1 3.73Å; L179-I394 HydrophobicContact CG-CD1 4.13Å; L220-I394 HydrophobicContact CD2-CG2 4.16Å; L220-I394 HydrophobicContact CG-CG2 4.48Å; L220-I394 WeakPolarHBondContact O-CA 3.17Å; F392-I394 HydrophobicContact CD1-CG1 3.98Å; F392-I394 HydrophobicContact CE1-CG1 4.32Å |
| 395 | T | 96.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 52 Ų | 52 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.1 | 168 | -54.5 | 0 | 0 | 0 | 0 | 108.5 | L220 K221 V222 A425 | L220-T395 PolarHBondContact O-N 2.91Å; K221-T395 HydrophobicContact CG-CG2 4.39Å; V222-T395 PolarHBondContact N-O 3.48Å; T395-A425 HydrophobicContact CG2-CB 3.69Å |
| 396 | D | 96.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -176.5 | 175.3 | -146.7 | -36.8 | 0 | 0 | 0 | 109.8 | N172 T175 A425 A426 | N172-D396 VanDerWaalsContact ND2-CG 3.34Å; N172-D396 PolarHBondContact ND2-OD1 2.86Å; N172-D396 VanDerWaalsContact ND2-OD1 3.16Å; N172-D396 PolarHBondContact ND2-OD2 3.44Å; T175-D396 WeakPolarHBondContact CB-OD2 3.4Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.45Å; T175-D396 VanDerWaalsContact OG1-CG 3.29Å; T175-D396 PolarHBondContact OG1-OD1 3.2Å; T175-D396 PolarHBondContact OG1-OD2 3Å; D396-A425 CarbonylContact O-C 3.56Å; D396-A425 WeakPolarHBondContact O-CA 3.26Å; D396-A426 PolarHBondContact N-O 3.36Å; D396-A426 PolarHBondContact O-N 3.31Å |
| 397 | V | 96.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.7 | -178.4 | -63.9 | 0 | 0 | 0 | 0 | 113 | V222 T225 P399 N423 H424 | V222-V397 HydrophobicContact CB-CG1 4.06Å; V222-V397 HydrophobicContact CB-CG2 4.32Å; V222-V397 HydrophobicContact CG1-CG1 4.14Å; V222-V397 HydrophobicContact CG1-CG2 3.7Å; V222-V397 WeakPolarHBondContact O-CG1 3.3Å; T225-V397 HydrophobicContact CG2-CG2 3.93Å; V397-P399 WeakPolarHBondContact O-CD 3.24Å; V397-N423 HydrophobicContact CB-CB 4.28Å; V397-N423 HydrophobicContact CG1-CB 4.35Å; V397-N423 WeakPolarHBondContact CG1-O 3.42Å; V397-H424 CarbonylContact C-O 3.49Å; V397-H424 VanDerWaalsContact CA-O 3.31Å; V397-H424 WeakPolarHBondContact CA-O 3.31Å |
| 398 | V | 94.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117 | 172 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | F400 I402 F420 N423 H424 A426 V484 | V398-F400 WeakPolarHBondContact CG1-O 3.38Å; V398-I402 HydrophobicContact CG1-CD1 4.32Å; V398-F420 HydrophobicContact CG2-CB 4.47Å; V398-N423 WeakPolarHBondContact O-CA 3.36Å; V398-N423 PolarHBondContact O-N 3.47Å; V398-H424 HydrophobicContact CG2-CB 4.47Å; V398-H424 PolarHBondContact N-O 3.5Å; V398-A426 HydrophobicContact CG2-CB 3.99Å; V398-V484 HydrophobicContact CG2-CB 4.49Å; V398-V484 HydrophobicContact CG2-CG1 4.24Å; V398-V484 HydrophobicContact CG2-CG2 4.23Å |
| 399 | P | 92.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72.4 | -34.4 | -175.6 | 28.9 | -36.8 | 0 | 0 | 0 | 113.2 | S146 T225 F227 V397 | S146-P399 WeakPolarHBondContact O-CG 3.31Å; T225-P399 HydrophobicContact CG2-CB 4.24Å; F227-P399 HydrophobicContact CE1-CB 4.15Å; V397-P399 WeakPolarHBondContact O-CD 3.24Å |
| 400 | F | 93.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -118.7 | 127.7 | -176.2 | -51.5 | -67.3 | 0 | 0 | 0 | 110.6 | F147 T149 F227 V398 Y446 E451 L452 | F147-F400 HydrophobicContact CB-CZ 4.12Å; F147-F400 WeakPolarHBondContact O-CE2 3.4Å; F147-F400 WeakPolarHBondContact O-CZ 3.46Å; T149-F400 HydrophobicContact CG2-CD2 3.99Å; T149-F400 HydrophobicContact CG2-CE2 3.61Å; T149-F400 HydrophobicContact CG2-CZ 4.38Å; F227-F400 HydrophobicContact CE2-CE1 4.1Å; F227-F400 HydrophobicContact CE2-CZ 4.08Å; F227-F400 AromaticContact CZ-CE1 3.58Å; F227-F400 HydrophobicContact CZ-CE1 3.58Å; F227-F400 AromaticContact CZ-CZ 3.6Å; F227-F400 HydrophobicContact CZ-CZ 3.6Å; V398-F400 WeakPolarHBondContact CG1-O 3.38Å; F400-Y446 HydrophobicContact CB-CD1 3.45Å; F400-Y446 VanDerWaalsContact CB-CD1 3.45Å; F400-Y446 HydrophobicContact CB-CE1 3.77Å; F400-Y446 HydrophobicContact CB-CG 4.3Å; F400-Y446 HydrophobicContact CD2-CE1 4.22Å; F400-Y446 HydrophobicContact CG-CD1 4.33Å; F400-Y446 HydrophobicContact CG-CE1 4.4Å; F400-E451 WeakPolarHBondContact CE1-O 3.35Å; F400-L452 HydrophobicContact CB-CD2 4.27Å; F400-L452 HydrophobicContact CD1-CD2 3.77Å; F400-L452 HydrophobicContact CD2-CD2 4.17Å; F400-L452 HydrophobicContact CE1-CD2 4.09Å; F400-L452 HydrophobicContact CE2-CD2 4.49Å; F400-L452 HydrophobicContact CG-CD2 3.8Å; F400-L452 HydrophobicContact CZ-CD2 4.44Å |
| 401 | P | 94.7 | Very high | 88 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | trans | -56.5 | 141.2 | 174.6 | -23.4 | 32 | 0 | 0 | 0 | 112.7 | F420 K422 Y446 S447 | P401-F420 CarbonylContact C-O 3.6Å; P401-F420 VanDerWaalsContact CA-O 3.29Å; P401-F420 WeakPolarHBondContact CA-O 3.29Å; P401-K422 HydrophobicContact CG-CB 3.89Å; P401-Y446 CarbonylContact O-C 3.59Å; P401-Y446 VanDerWaalsContact O-CA 3.24Å; P401-Y446 WeakPolarHBondContact O-CA 3.36Å; P401-S447 WeakPolarHBondContact CB-OG 3.39Å; P401-S447 PolarHBondContact O-N 3.39Å; P401-S447 PolarHBondContact O-OG 3.05Å | ||
| 402 | I | 95.8 | Very high | 86.9 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | -178.3 | -58.8 | 175.6 | 0 | 0 | 0 | 109.8 | V398 V419 F420 Y446 I459 V484 L490 | V398-I402 HydrophobicContact CG1-CD1 4.32Å; I402-V419 PolarHBondContact O-N 3.17Å; I402-F420 HydrophobicContact CB-CB 4.46Å; I402-F420 HydrophobicContact CB-CD2 4.34Å; I402-F420 HydrophobicContact CD1-CD2 4.46Å; I402-F420 PolarHBondContact N-O 2.9Å; I402-F420 PolarHBondContact O-N 2.83Å; I402-Y446 HydrophobicContact CG1-CD1 4.19Å; I402-Y446 HydrophobicContact CG1-CE1 4.23Å; I402-I459 HydrophobicContact CB-CD1 4.49Å; I402-I459 HydrophobicContact CD1-CD1 4.15Å; I402-I459 HydrophobicContact CG1-CD1 3.98Å; I402-I459 HydrophobicContact CG2-CD1 3.86Å; I402-V484 HydrophobicContact CD1-CG2 4.2Å; I402-L490 HydrophobicContact CD1-CB 4.41Å; I402-L490 HydrophobicContact CD1-CD1 4.22Å; I402-L490 HydrophobicContact CG2-CD1 4.17Å; I402-L490 HydrophobicContact CG2-CD2 3.83Å |
| 403 | T | 95.7 | Very high | 86.1 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 145.1 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | E416 C417 F445 S447 | T403-E416 HydrophobicContact CG2-CB 4.21Å; T403-C417 WeakPolarHBondContact CA-O 3.27Å; T403-F445 HydrophobicContact CG2-CE1 3.82Å; T403-F445 HydrophobicContact CG2-CE2 4.18Å; T403-F445 HydrophobicContact CG2-CZ 3.45Å; T403-F445 VanDerWaalsContact CG2-CZ 3.45Å; T403-F445 PolarHBondContact N-O 3.49Å; T403-F445 PolarHBondContact O-N 3.11Å; T403-S447 PolarHBondContact OG1-OG 3.16Å |
| 404 | L | 95.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.8 | 166.9 | -69.8 | 166.7 | 0 | 0 | 0 | 110.4 | W406 E416 C417 V419 I432 E443 A444 V482 | L404-W406 HydrophobicContact CB-CE3 4.35Å; L404-W406 HydrophobicContact CB-CZ3 4.22Å; L404-W406 WeakPolarHBondContact O-CZ3 3.45Å; L404-E416 CarbonylContact O-C 2.84Å; L404-E416 VanDerWaalsContact O-CA 3.26Å; L404-E416 WeakPolarHBondContact O-CA 3.4Å; L404-C417 PolarHBondContact N-O 3.18Å; L404-C417 PolarHBondContact O-N 3.46Å; L404-V419 HydrophobicContact CB-CG2 4.07Å; L404-V419 HydrophobicContact CD1-CG1 4.43Å; L404-V419 HydrophobicContact CD1-CG2 3.46Å; L404-V419 VanDerWaalsContact CD1-CG2 3.46Å; L404-V419 HydrophobicContact CG-CG2 3.46Å; L404-V419 VanDerWaalsContact CG-CG2 3.46Å; L404-I432 HydrophobicContact CD1-CD1 3.72Å; L404-E443 CarbonylContact C-O 3.27Å; L404-E443 VanDerWaalsContact CA-O 3.31Å; L404-E443 WeakPolarHBondContact CA-O 3.47Å; L404-A444 HydrophobicContact CD2-CB 3.71Å; L404-V482 HydrophobicContact CD1-CB 4.4Å; L404-V482 HydrophobicContact CD1-CG1 4.17Å; L404-V482 HydrophobicContact CD1-CG2 3.75Å |
| 405 | R | 94.4 | Very high | 85.2 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.8 | 172.9 | 175.7 | -175.2 | -61.3 | 151.4 | -0.6 | 110.4 | V414 G415 E416 E443 F445 | R405-V414 HydrophobicContact CG-CG1 3.58Å; R405-G415 CarbonylContact C-O 3.59Å; R405-G415 WeakPolarHBondContact CA-O 3.29Å; R405-E416 HydrophobicContact CB-CG 4.15Å; R405-E416 HydrophobicContact CG-CG 4.18Å; R405-E416 IonicContact CZ-OE1 3.22Å; R405-E416 IonicContact NE-OE1 2.91Å; R405-E416 PolarHBondContact NE-OE1 3Å; R405-E416 IonicContact NH2-OE1 3.16Å; R405-E416 PolarHBondContact NH2-OE1 3.45Å; R405-E443 HydrophobicContact CB-CB 4.41Å; R405-E443 PolarHBondContact N-O 3.4Å; R405-E443 IonicContact NH1-OE2 3.22Å; R405-E443 PolarHBondContact O-N 3.23Å; R405-F445 HydrophobicContact CB-CD1 4.45Å; R405-F445 HydrophobicContact CB-CE1 3.67Å |
| 406 | W | 92.7 | Very high | 85 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 160.1 | 174.1 | 59.6 | 94.1 | 0 | 0 | 0 | 110.6 | L404 S408 G415 C417 F434 D441 L442 | L404-W406 HydrophobicContact CB-CE3 4.35Å; L404-W406 HydrophobicContact CB-CZ3 4.22Å; L404-W406 WeakPolarHBondContact O-CZ3 3.45Å; W406-S408 PolarHBondContact O-N 3.21Å; W406-G415 PolarHBondContact N-O 3.05Å; W406-G415 PolarHBondContact O-N 3.22Å; W406-C417 HydrophobicContact CH2-CB 3.64Å; W406-C417 HydrophobicContact CZ3-CB 3.86Å; W406-F434 HydrophobicContact CD2-CD1 4.38Å; W406-F434 AromaticContact CD2-CE1 3.55Å; W406-F434 HydrophobicContact CD2-CE1 3.55Å; W406-F434 HydrophobicContact CD2-CZ 4.37Å; W406-F434 AromaticContact CE2-CE1 3.55Å; W406-F434 AromaticContact CE3-CE1 3.85Å; W406-F434 HydrophobicContact CE3-CE1 3.85Å; W406-F434 HydrophobicContact CE3-CZ 4.26Å; W406-F434 HydrophobicContact CG-CE1 4.04Å; W406-F434 HydrophobicContact CH2-CE1 4.14Å; W406-F434 AromaticContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ3-CE1 4.13Å; W406-F434 HydrophobicContact CZ3-CZ 4.45Å; W406-F434 AromaticContact NE1-CE1 3.97Å; W406-D441 WeakPolarHBondContact CB-O 3.48Å; W406-L442 HydrophobicContact CB-CD2 3.95Å; W406-L442 HydrophobicContact CD2-CD2 4.41Å; W406-L442 HydrophobicContact CE3-CD2 4.05Å; W406-L442 HydrophobicContact CG-CD2 4.39Å |
| 407 | K | 86.4 | Confident | 84.8 | Confident | 166 Ų | 166 | 58 Ų | 58 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.1 | 172.1 | -65.8 | -179.5 | 179.9 | 174.1 | 0 | 109.7 | K436 | K407-K436 PolarHBondContact O-NZ 3.09Å |
| 408 | S | 77.8 | Confident | 84.7 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | trans | -108.8 | 158.3 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | W406 T410 G413 | W406-S408 PolarHBondContact O-N 3.21Å; S408-T410 VanDerWaalsContact C-N 3.29Å; S408-T410 WeakPolarHBondContact CB-OG1 3.36Å; S408-T410 PolarHBondContact OG-N 3.01Å; S408-T410 PolarHBondContact OG-OG1 3.44Å; S408-G413 PolarHBondContact N-O 2.82Å | ||
| 409 | S | 67.6 | Low | 84.7 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 87% | 0.874 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -89.6 | 10 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 410 | T | 62.8 | Low | 84.9 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -85.6 | 163.1 | 176.9 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | S408 D412 G413 | S408-T410 VanDerWaalsContact C-N 3.29Å; S408-T410 WeakPolarHBondContact CB-OG1 3.36Å; S408-T410 PolarHBondContact OG-N 3.01Å; S408-T410 PolarHBondContact OG-OG1 3.44Å; T410-D412 PolarHBondContact O-N 2.9Å; T410-D412 VanDerWaalsContact O-N 3.1Å; T410-G413 PolarHBondContact O-N 3.23Å |
| 411 | E | 48.8 | Very low | 84.9 | Confident | 207 Ų | 207 | 62 Ų | 62 | 97% | 0.967 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.8 | -173.3 | -73.7 | -178.6 | 159.1 | 0 | 0 | 114.5 | G413 | E411-G413 VanDerWaalsContact C-N 3.33Å; E411-G413 PolarHBondContact O-N 2.83Å |
| 412 | D | 62.2 | Low | 84.8 | Confident | 149 Ų | 149 | 65 Ų | 65 | 80% | 0.797 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.2 | 176.9 | -62.5 | -39.8 | 0 | 0 | 0 | 114.6 | T410 V414 | T410-D412 PolarHBondContact O-N 2.9Å; T410-D412 VanDerWaalsContact O-N 3.1Å; D412-V414 PolarHBondContact O-N 3.42Å |
| 413 | G | 73.9 | Confident | 84.7 | Confident | 33 Ų | 33 | 66 Ų | 66 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 67.7 | -7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | S408 T410 E411 | S408-G413 PolarHBondContact N-O 2.82Å; T410-G413 PolarHBondContact O-N 3.23Å; E411-G413 VanDerWaalsContact C-N 3.33Å; E411-G413 PolarHBondContact O-N 2.83Å |
| 414 | V | 83.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.5 | -175.2 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | R405 D412 E416 | R405-V414 HydrophobicContact CG-CG1 3.58Å; D412-V414 PolarHBondContact O-N 3.42Å; V414-E416 HydrophobicContact CG1-CG 4.19Å |
| 415 | G | 87 | Confident | 84.8 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R405 W406 | R405-G415 CarbonylContact C-O 3.59Å; R405-G415 WeakPolarHBondContact CA-O 3.29Å; W406-G415 PolarHBondContact N-O 3.05Å; W406-G415 PolarHBondContact O-N 3.22Å |
| 416 | E | 92.1 | Very high | 84.8 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.9 | 177.2 | -64.3 | -167.3 | 164.8 | 0 | 0 | 111.7 | T403 L404 R405 V414 | T403-E416 HydrophobicContact CG2-CB 4.21Å; L404-E416 CarbonylContact O-C 2.84Å; L404-E416 VanDerWaalsContact O-CA 3.26Å; L404-E416 WeakPolarHBondContact O-CA 3.4Å; R405-E416 HydrophobicContact CB-CG 4.15Å; R405-E416 HydrophobicContact CG-CG 4.18Å; R405-E416 IonicContact CZ-OE1 3.22Å; R405-E416 IonicContact NE-OE1 2.91Å; R405-E416 PolarHBondContact NE-OE1 3Å; R405-E416 IonicContact NH2-OE1 3.16Å; R405-E416 PolarHBondContact NH2-OE1 3.45Å; V414-E416 HydrophobicContact CG1-CG 4.19Å |
| 417 | C | 92.5 | Very high | 85 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 28% | 0.284 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 124.5 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | T403 L404 W406 V419 | T403-C417 WeakPolarHBondContact CA-O 3.27Å; L404-C417 PolarHBondContact N-O 3.18Å; L404-C417 PolarHBondContact O-N 3.46Å; W406-C417 HydrophobicContact CH2-CB 3.64Å; W406-C417 HydrophobicContact CZ3-CB 3.86Å; C417-V419 WeakPolarHBondContact O-CG2 3.44Å; C417-V419 PolarHBondContact O-N 3.48Å |
| 418 | E | 94.8 | Very high | 85.4 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 116.2 | 169 | -168.7 | -178.7 | 111.5 | 0 | 0 | 109.4 | G421 K430 | E418-G421 WeakPolarHBondContact OE1-CA 3.47Å; E418-K430 PolarHBondContact O-NZ 3.49Å; E418-K430 VanDerWaalsContact O-NZ 3.09Å |
| 419 | V | 94.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -45.2 | -173.1 | -150.3 | 0 | 0 | 0 | 0 | 110 | I402 L404 C417 K430 I432 V482 | I402-V419 PolarHBondContact O-N 3.17Å; L404-V419 HydrophobicContact CB-CG2 4.07Å; L404-V419 HydrophobicContact CD1-CG1 4.43Å; L404-V419 HydrophobicContact CD1-CG2 3.46Å; L404-V419 VanDerWaalsContact CD1-CG2 3.46Å; L404-V419 HydrophobicContact CG-CG2 3.46Å; L404-V419 VanDerWaalsContact CG-CG2 3.46Å; C417-V419 WeakPolarHBondContact O-CG2 3.44Å; C417-V419 PolarHBondContact O-N 3.48Å; V419-K430 HydrophobicContact CG1-CB 4.02Å; V419-K430 HydrophobicContact CG1-CD 3.67Å; V419-K430 HydrophobicContact CG1-CG 4.33Å; V419-K430 WeakPolarHBondContact O-CD 3.38Å; V419-K430 PolarHBondContact O-NZ 3.3Å; V419-I432 HydrophobicContact CG1-CD1 4.14Å; V419-V482 HydrophobicContact CG1-CB 4.33Å; V419-V482 HydrophobicContact CG1-CG1 4.39Å |
| 420 | F | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 113.9 | -178.1 | -54.7 | -80.7 | 0 | 0 | 0 | 108.5 | V398 P401 I402 H424 F428 V482 V484 L490 | V398-F420 HydrophobicContact CG2-CB 4.47Å; P401-F420 CarbonylContact C-O 3.6Å; P401-F420 VanDerWaalsContact CA-O 3.29Å; P401-F420 WeakPolarHBondContact CA-O 3.29Å; I402-F420 HydrophobicContact CB-CB 4.46Å; I402-F420 HydrophobicContact CB-CD2 4.34Å; I402-F420 HydrophobicContact CD1-CD2 4.46Å; I402-F420 PolarHBondContact N-O 2.9Å; I402-F420 PolarHBondContact O-N 2.83Å; F420-H424 HydrophobicContact CB-CB 4.39Å; F420-H424 AromaticContact CD1-ND1 3.95Å; F420-F428 HydrophobicContact CE1-CB 4.2Å; F420-F428 AromaticContact CE1-CD1 3.95Å; F420-F428 HydrophobicContact CE1-CD1 3.95Å; F420-V482 HydrophobicContact CE2-CG1 4.1Å; F420-V484 HydrophobicContact CD1-CG2 4.16Å; F420-V484 HydrophobicContact CD2-CG2 3.73Å; F420-V484 HydrophobicContact CE1-CG2 4.14Å; F420-V484 HydrophobicContact CE2-CG2 3.76Å; F420-V484 HydrophobicContact CG-CG2 3.96Å; F420-V484 HydrophobicContact CZ-CG2 3.97Å; F420-L490 HydrophobicContact CD2-CD1 4.07Å; F420-L490 HydrophobicContact CE2-CD1 3.65Å |
| 421 | G | 94.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 62 Ų | 62 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | trans | -79.2 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E418 N423 H424 | E418-G421 WeakPolarHBondContact OE1-CA 3.47Å; G421-N423 PolarHBondContact O-N 3.05Å; G421-H424 WeakPolarHBondContact O-CB 3.3Å; G421-H424 PolarHBondContact O-N 3.21Å; G421-H424 VanDerWaalsContact O-N 3.1Å | ||
| 422 | K | 92.4 | Very high | 91.3 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.9 | 176 | -165.6 | 164.6 | -172.9 | 165.6 | 0 | 110.6 | P401 H424 E451 | P401-K422 HydrophobicContact CG-CB 3.89Å; K422-H424 PolarHBondContact O-N 2.78Å; K422-E451 IonicContact NZ-OE1 3.87Å; K422-E451 IonicContact NZ-OE2 3.52Å; K422-E451 PolarHBondContact NZ-OE2 3.18Å |
| 423 | N | 93.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 49 Ų | 49 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 19.1 | -175 | -58.7 | -41 | 0 | 0 | 0 | 114.9 | Q327 V397 V398 G421 A425 | Q327-N423 PolarHBondContact OE1-ND2 3.31Å; V397-N423 HydrophobicContact CB-CB 4.28Å; V397-N423 HydrophobicContact CG1-CB 4.35Å; V397-N423 WeakPolarHBondContact CG1-O 3.42Å; V398-N423 WeakPolarHBondContact O-CA 3.36Å; V398-N423 PolarHBondContact O-N 3.47Å; G421-N423 PolarHBondContact O-N 3.05Å; N423-A425 PolarHBondContact O-N 2.8Å |
| 424 | H | 95.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.269 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 138.4 | 175 | -171.3 | -71.1 | 0 | 0 | 0 | 109.9 | V397 V398 F420 G421 K422 A426 F428 | V397-H424 CarbonylContact C-O 3.49Å; V397-H424 VanDerWaalsContact CA-O 3.31Å; V397-H424 WeakPolarHBondContact CA-O 3.31Å; V398-H424 HydrophobicContact CG2-CB 4.47Å; V398-H424 PolarHBondContact N-O 3.5Å; F420-H424 HydrophobicContact CB-CB 4.39Å; F420-H424 AromaticContact CD1-ND1 3.95Å; G421-H424 WeakPolarHBondContact O-CB 3.3Å; G421-H424 PolarHBondContact O-N 3.21Å; G421-H424 VanDerWaalsContact O-N 3.1Å; K422-H424 PolarHBondContact O-N 2.78Å; H424-A426 PolarHBondContact O-N 3.13Å; H424-F428 AromaticContact CE1-CD1 3.44Å; H424-F428 VanDerWaalsContact CE1-CD1 3.44Å; H424-F428 WeakPolarHBondContact CE1-CD1 3.39Å; H424-F428 AromaticContact CE1-CE1 3.87Å; H424-F428 AromaticContact CE1-CG 3.53Å |
| 425 | A | 96.3 | Very high | 94 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 136.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T395 D396 N423 F428 | T395-A425 HydrophobicContact CG2-CB 3.69Å; D396-A425 CarbonylContact O-C 3.56Å; D396-A425 WeakPolarHBondContact O-CA 3.26Å; N423-A425 PolarHBondContact O-N 2.8Å; A425-F428 VanDerWaalsContact O-CB 3.29Å; A425-F428 WeakPolarHBondContact O-CB 3.38Å |
| 426 | A | 94.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D396 V398 H424 V484 | D396-A426 PolarHBondContact N-O 3.36Å; D396-A426 PolarHBondContact O-N 3.31Å; V398-A426 HydrophobicContact CG2-CB 3.99Å; H424-A426 PolarHBondContact O-N 3.13Å; A426-V484 HydrophobicContact CB-CG1 4.09Å |
| 427 | P | 95.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | S | Bend | cis | -72.4 | 146.8 | -0.5 | 32.6 | -38.8 | 0 | 0 | 0 | 113.3 | V484 I486 | P427-V484 WeakPolarHBondContact CA-O 3.46Å; P427-V484 WeakPolarHBondContact CB-O 3.44Å; P427-I486 HydrophobicContact CB-CG2 4.23Å; P427-I486 HydrophobicContact CG-CG2 4.08Å |
| 428 | F | 96.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 152 | 178.4 | -166.5 | -96.3 | 0 | 0 | 0 | 112.2 | F420 H424 A425 R483 V484 | F420-F428 HydrophobicContact CE1-CB 4.2Å; F420-F428 AromaticContact CE1-CD1 3.95Å; F420-F428 HydrophobicContact CE1-CD1 3.95Å; H424-F428 AromaticContact CE1-CD1 3.44Å; H424-F428 VanDerWaalsContact CE1-CD1 3.44Å; H424-F428 WeakPolarHBondContact CE1-CD1 3.39Å; H424-F428 AromaticContact CE1-CE1 3.87Å; H424-F428 AromaticContact CE1-CG 3.53Å; A425-F428 VanDerWaalsContact O-CB 3.29Å; A425-F428 WeakPolarHBondContact O-CB 3.38Å; F428-R483 VanDerWaalsContact O-CA 3.32Å; F428-R483 WeakPolarHBondContact O-CA 3.39Å; F428-R483 WeakPolarHBondContact O-CG 3.43Å; F428-V484 PolarHBondContact N-O 2.89Å; F428-V484 PolarHBondContact O-N 3.34Å |
| 429 | S | 96.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.8 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | K481 V482 R483 | S429-K481 VanDerWaalsContact CB-CE 3.47Å; S429-K481 WeakPolarHBondContact OG-CE 3.04Å; S429-V482 CarbonylContact C-O 3.56Å; S429-V482 VanDerWaalsContact CA-O 3.32Å; S429-V482 WeakPolarHBondContact CA-O 3.42Å; S429-R483 WeakPolarHBondContact OG-CB 3.27Å; S429-R483 WeakPolarHBondContact OG-CD 3.5Å; S429-R483 WeakPolarHBondContact OG-CG 3.29Å |
| 430 | K | 95 | Very high | 93.7 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132 | 176.3 | -164.5 | 173 | -175 | 179.8 | 0 | 109 | E418 V419 V482 | E418-K430 PolarHBondContact O-NZ 3.49Å; E418-K430 VanDerWaalsContact O-NZ 3.09Å; V419-K430 HydrophobicContact CG1-CB 4.02Å; V419-K430 HydrophobicContact CG1-CD 3.67Å; V419-K430 HydrophobicContact CG1-CG 4.33Å; V419-K430 WeakPolarHBondContact O-CD 3.38Å; V419-K430 PolarHBondContact O-NZ 3.3Å; K430-V482 PolarHBondContact N-O 2.96Å; K430-V482 PolarHBondContact O-N 3.48Å |
| 431 | V | 95.1 | Very high | 93.6 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.4 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | K479 V480 K481 | V431-K479 HydrophobicContact CG1-CB 4.04Å; V431-K479 HydrophobicContact CG1-CD 4.25Å; V431-K479 HydrophobicContact CG1-CG 4.29Å; V431-V480 CarbonylContact C-O 3.49Å; V431-V480 WeakPolarHBondContact CA-O 3.46Å; V431-K481 HydrophobicContact CG2-CB 4.22Å; V431-K481 HydrophobicContact CG2-CG 4.07Å |
| 432 | I | 93.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.6 | 175.7 | -51 | 178 | 0 | 0 | 0 | 108 | L404 V419 F434 V480 V482 | L404-I432 HydrophobicContact CD1-CD1 3.72Å; V419-I432 HydrophobicContact CG1-CD1 4.14Å; I432-F434 HydrophobicContact CB-CE2 3.79Å; I432-F434 HydrophobicContact CB-CZ 3.98Å; I432-F434 HydrophobicContact CG2-CD2 4.32Å; I432-F434 HydrophobicContact CG2-CE1 3.96Å; I432-F434 HydrophobicContact CG2-CE2 3.62Å; I432-F434 HydrophobicContact CG2-CZ 3.42Å; I432-F434 VanDerWaalsContact CG2-CZ 3.42Å; I432-V480 PolarHBondContact N-O 2.77Å; I432-V480 PolarHBondContact O-N 3.3Å; I432-V482 HydrophobicContact CD1-CG2 4.43Å |
| 433 | T | 93.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 37% | 0.368 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | K477 V478 | T433-K477 HydrophobicContact CG2-CD 4.2Å; T433-K477 VanDerWaalsContact CG2-CE 3.43Å; T433-K477 HydrophobicContact CG2-CG 3.68Å; T433-V478 CarbonylContact C-O 3.59Å; T433-V478 WeakPolarHBondContact CA-O 3.45Å |
| 434 | F | 91.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.9 | 175.3 | -58.6 | -82.6 | 0 | 0 | 0 | 110.3 | W406 I432 K436 F440 L442 V478 V480 | W406-F434 HydrophobicContact CD2-CD1 4.38Å; W406-F434 AromaticContact CD2-CE1 3.55Å; W406-F434 HydrophobicContact CD2-CE1 3.55Å; W406-F434 HydrophobicContact CD2-CZ 4.37Å; W406-F434 AromaticContact CE2-CE1 3.55Å; W406-F434 AromaticContact CE3-CE1 3.85Å; W406-F434 HydrophobicContact CE3-CE1 3.85Å; W406-F434 HydrophobicContact CE3-CZ 4.26Å; W406-F434 HydrophobicContact CG-CE1 4.04Å; W406-F434 HydrophobicContact CH2-CE1 4.14Å; W406-F434 AromaticContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ2-CE1 3.86Å; W406-F434 HydrophobicContact CZ3-CE1 4.13Å; W406-F434 HydrophobicContact CZ3-CZ 4.45Å; W406-F434 AromaticContact NE1-CE1 3.97Å; I432-F434 HydrophobicContact CB-CE2 3.79Å; I432-F434 HydrophobicContact CB-CZ 3.98Å; I432-F434 HydrophobicContact CG2-CD2 4.32Å; I432-F434 HydrophobicContact CG2-CE1 3.96Å; I432-F434 HydrophobicContact CG2-CE2 3.62Å; I432-F434 HydrophobicContact CG2-CZ 3.42Å; I432-F434 VanDerWaalsContact CG2-CZ 3.42Å; F434-K436 HydrophobicContact CB-CG 4.11Å; F434-F440 HydrophobicContact CB-CZ 4.1Å; F434-F440 HydrophobicContact CD1-CE2 4.34Å; F434-F440 HydrophobicContact CD2-CE2 4.09Å; F434-F440 AromaticContact CD2-CZ 3.88Å; F434-F440 HydrophobicContact CD2-CZ 3.88Å; F434-F440 HydrophobicContact CE2-CE2 4.38Å; F434-F440 HydrophobicContact CE2-CZ 4.49Å; F434-F440 HydrophobicContact CG-CE2 4.06Å; F434-F440 AromaticContact CG-CZ 3.97Å; F434-F440 HydrophobicContact CG-CZ 3.97Å; F434-L442 HydrophobicContact CE1-CD2 4.11Å; F434-L442 HydrophobicContact CE2-CD1 4.32Å; F434-L442 HydrophobicContact CE2-CD2 4.18Å; F434-L442 HydrophobicContact CZ-CD2 3.59Å; F434-V478 PolarHBondContact N-O 2.53Å; F434-V478 PolarHBondContact O-N 2.85Å; F434-V480 HydrophobicContact CD2-CB 4.16Å; F434-V480 HydrophobicContact CD2-CG2 3.67Å; F434-V480 HydrophobicContact CE2-CB 3.86Å; F434-V480 HydrophobicContact CE2-CG2 3.79Å |
| 435 | H | 91 | Very high | 93.8 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.8 | 170.9 | -65.8 | 89.2 | 0 | 0 | 0 | 107.9 | S476 | H435-S476 WeakPolarHBondContact CA-O 3.45Å |
| 436 | K | 89.4 | Confident | 93.7 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.8 | -169 | -68.7 | -66.9 | -171.7 | 178.6 | 0 | 111.4 | K407 F434 F440 V467 S476 | K407-K436 PolarHBondContact O-NZ 3.09Å; F434-K436 HydrophobicContact CB-CG 4.11Å; K436-F440 HydrophobicContact CB-CD1 4.05Å; K436-F440 HydrophobicContact CB-CE1 4.27Å; K436-F440 HydrophobicContact CD-CB 4.39Å; K436-F440 HydrophobicContact CD-CD1 4.28Å; K436-F440 HydrophobicContact CD-CG 4.23Å; K436-F440 HydrophobicContact CG-CD1 3.64Å; K436-F440 HydrophobicContact CG-CE1 3.82Å; K436-F440 HydrophobicContact CG-CG 4.03Å; K436-F440 HydrophobicContact CG-CZ 4.36Å; K436-V467 HydrophobicContact CB-CG1 4Å; K436-S476 PolarHBondContact N-O 3.23Å; K436-S476 PolarHBondContact O-N 2.93Å |
| 437 | K | 88.7 | Confident | 93.6 | Very high | 124 Ų | 124 | 54.7 Ų | 54.7 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -100.4 | -20.8 | 177.8 | -67.1 | -174.5 | 178 | -165.7 | 0 | 112.8 | P469 G473 | K437-P469 HydrophobicContact CB-CB 4.47Å; K437-P469 WeakPolarHBondContact O-CD 3.38Å; K437-G473 WeakPolarHBondContact CE-O 3.37Å; K437-G473 PolarHBondContact NZ-O 3.11Å |
| 438 | E | 91.1 | Very high | 93.2 | Very high | 140 Ų | 140 | 54.9 Ų | 54.9 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -142.7 | 164.9 | -172.6 | 64.6 | -171.9 | 160.3 | 0 | 0 | 109.9 | ||
| 439 | P | 92.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | trans | -50.6 | 145.5 | 173 | -29.1 | 37.8 | 0 | 0 | 0 | 112.1 | V464 | P439-V464 VanDerWaalsContact CA-O 3.3Å; P439-V464 WeakPolarHBondContact CA-O 3.35Å; P439-V464 WeakPolarHBondContact CB-O 3.4Å | ||
| 440 | F | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.7 | -177 | 69.9 | -78.1 | 0 | 0 | 0 | 111.7 | F434 K436 L442 V464 V467 V478 V480 | F434-F440 HydrophobicContact CB-CZ 4.1Å; F434-F440 HydrophobicContact CD1-CE2 4.34Å; F434-F440 HydrophobicContact CD2-CE2 4.09Å; F434-F440 AromaticContact CD2-CZ 3.88Å; F434-F440 HydrophobicContact CD2-CZ 3.88Å; F434-F440 HydrophobicContact CE2-CE2 4.38Å; F434-F440 HydrophobicContact CE2-CZ 4.49Å; F434-F440 HydrophobicContact CG-CE2 4.06Å; F434-F440 AromaticContact CG-CZ 3.97Å; F434-F440 HydrophobicContact CG-CZ 3.97Å; K436-F440 HydrophobicContact CB-CD1 4.05Å; K436-F440 HydrophobicContact CB-CE1 4.27Å; K436-F440 HydrophobicContact CD-CB 4.39Å; K436-F440 HydrophobicContact CD-CD1 4.28Å; K436-F440 HydrophobicContact CD-CG 4.23Å; K436-F440 HydrophobicContact CG-CD1 3.64Å; K436-F440 HydrophobicContact CG-CE1 3.82Å; K436-F440 HydrophobicContact CG-CG 4.03Å; K436-F440 HydrophobicContact CG-CZ 4.36Å; F440-L442 HydrophobicContact CD2-CG 4.27Å; F440-L442 HydrophobicContact CE2-CD1 4.04Å; F440-L442 HydrophobicContact CE2-CD2 4.01Å; F440-L442 HydrophobicContact CE2-CG 3.82Å; F440-V464 HydrophobicContact CD1-CB 4.23Å; F440-V464 HydrophobicContact CE1-CB 3.86Å; F440-V464 HydrophobicContact CE1-CG1 4.11Å; F440-V464 HydrophobicContact CE1-CG2 4.2Å; F440-V464 HydrophobicContact CE2-CG2 4.42Å; F440-V464 HydrophobicContact CZ-CB 4.18Å; F440-V464 HydrophobicContact CZ-CG2 3.99Å; F440-V464 PolarHBondContact N-O 2.85Å; F440-V464 PolarHBondContact O-N 3.22Å; F440-V467 HydrophobicContact CD1-CG2 4.21Å; F440-V467 HydrophobicContact CE1-CG2 4.16Å; F440-V478 HydrophobicContact CE1-CG1 4.35Å; F440-V480 HydrophobicContact CZ-CG2 4.17Å |
| 441 | D | 94.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 143.1 | -179 | -59.2 | -36.7 | 0 | 0 | 0 | 111.5 | W406 S463 | W406-D441 WeakPolarHBondContact CB-O 3.48Å; D441-S463 WeakPolarHBondContact OD1-CA 3.29Å; D441-S463 WeakPolarHBondContact OD1-CB 3.43Å; D441-S463 PolarHBondContact OD1-OG 2.73Å |
| 442 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.7 | 171.6 | -70.2 | 165.6 | 0 | 0 | 0 | 108.7 | W406 F434 F440 C461 F462 V464 V480 | W406-L442 HydrophobicContact CB-CD2 3.95Å; W406-L442 HydrophobicContact CD2-CD2 4.41Å; W406-L442 HydrophobicContact CE3-CD2 4.05Å; W406-L442 HydrophobicContact CG-CD2 4.39Å; F434-L442 HydrophobicContact CE1-CD2 4.11Å; F434-L442 HydrophobicContact CE2-CD1 4.32Å; F434-L442 HydrophobicContact CE2-CD2 4.18Å; F434-L442 HydrophobicContact CZ-CD2 3.59Å; F440-L442 HydrophobicContact CD2-CG 4.27Å; F440-L442 HydrophobicContact CE2-CD1 4.04Å; F440-L442 HydrophobicContact CE2-CD2 4.01Å; F440-L442 HydrophobicContact CE2-CG 3.82Å; L442-C461 CarbonylContact O-C 3.52Å; L442-C461 WeakPolarHBondContact O-CA 3.41Å; L442-F462 HydrophobicContact CB-CB 4.3Å; L442-F462 PolarHBondContact N-O 2.94Å; L442-F462 PolarHBondContact O-N 3.02Å; L442-V464 HydrophobicContact CD1-CG2 4.3Å; L442-V480 HydrophobicContact CD1-CG1 3.87Å; L442-V480 HydrophobicContact CD1-CG2 4.42Å |
| 443 | E | 95.4 | Very high | 89.9 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.9 | 172.7 | -175.5 | 178.6 | -154 | 0 | 0 | 109.4 | L404 R405 | L404-E443 CarbonylContact C-O 3.27Å; L404-E443 VanDerWaalsContact CA-O 3.31Å; L404-E443 WeakPolarHBondContact CA-O 3.47Å; R405-E443 HydrophobicContact CB-CB 4.41Å; R405-E443 PolarHBondContact N-O 3.4Å; R405-E443 IonicContact NH1-OE2 3.22Å; R405-E443 PolarHBondContact O-N 3.23Å |
| 444 | A | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | L404 I459 G460 F462 L490 | L404-A444 HydrophobicContact CD2-CB 3.71Å; A444-I459 HydrophobicContact CB-CB 4.04Å; A444-I459 HydrophobicContact CB-CG2 4.42Å; A444-I459 WeakPolarHBondContact O-CB 3.46Å; A444-I459 PolarHBondContact O-N 3.14Å; A444-G460 PolarHBondContact N-O 2.88Å; A444-G460 PolarHBondContact O-N 2.99Å; A444-F462 HydrophobicContact CB-CE2 3.94Å; A444-L490 HydrophobicContact CB-CD2 3.32Å |
| 445 | F | 95.2 | Very high | 88.4 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 161.3 | 179.4 | 63.8 | -81 | 0 | 0 | 0 | 111.5 | T403 R405 H457 | T403-F445 HydrophobicContact CG2-CE1 3.82Å; T403-F445 HydrophobicContact CG2-CE2 4.18Å; T403-F445 HydrophobicContact CG2-CZ 3.45Å; T403-F445 VanDerWaalsContact CG2-CZ 3.45Å; T403-F445 PolarHBondContact N-O 3.49Å; T403-F445 PolarHBondContact O-N 3.11Å; R405-F445 HydrophobicContact CB-CD1 4.45Å; R405-F445 HydrophobicContact CB-CE1 3.67Å; F445-H457 CarbonylContact C-O 3.58Å; F445-H457 WeakPolarHBondContact CA-O 3.39Å; F445-H457 VanDerWaalsContact CB-O 3.31Å; F445-H457 WeakPolarHBondContact CB-O 3.45Å; F445-H457 AromaticContact CD2-CD2 3.94Å |
| 446 | Y | 94.8 | Very high | 88.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.3 | 174.5 | -60.8 | -69.5 | 0 | 0 | 0 | 111.1 | T149 D150 F400 P401 I402 N448 L452 H457 I459 | T149-Y446 WeakPolarHBondContact CB-OH 3.33Å; T149-Y446 HydrophobicContact CG2-CE2 4.26Å; D150-Y446 WeakPolarHBondContact CB-OH 3.5Å; D150-Y446 PolarHBondContact N-OH 3.16Å; F400-Y446 HydrophobicContact CB-CD1 3.45Å; F400-Y446 VanDerWaalsContact CB-CD1 3.45Å; F400-Y446 HydrophobicContact CB-CE1 3.77Å; F400-Y446 HydrophobicContact CB-CG 4.3Å; F400-Y446 HydrophobicContact CD2-CE1 4.22Å; F400-Y446 HydrophobicContact CG-CD1 4.33Å; F400-Y446 HydrophobicContact CG-CE1 4.4Å; P401-Y446 CarbonylContact O-C 3.59Å; P401-Y446 VanDerWaalsContact O-CA 3.24Å; P401-Y446 WeakPolarHBondContact O-CA 3.36Å; I402-Y446 HydrophobicContact CG1-CD1 4.19Å; I402-Y446 HydrophobicContact CG1-CE1 4.23Å; Y446-N448 VanDerWaalsContact C-N 3.31Å; Y446-N448 PolarHBondContact O-N 3.34Å; Y446-L452 HydrophobicContact CD1-CD2 4.28Å; Y446-L452 HydrophobicContact CD2-CD1 3.7Å; Y446-L452 HydrophobicContact CD2-CD2 3.69Å; Y446-L452 HydrophobicContact CD2-CG 4.34Å; Y446-L452 HydrophobicContact CE2-CD2 4.24Å; Y446-L452 HydrophobicContact CG-CD1 4.11Å; Y446-L452 HydrophobicContact CG-CD2 3.72Å; Y446-L452 HydrophobicContact CG-CG 4.46Å; Y446-H457 VanDerWaalsContact CD2-O 3.31Å; Y446-H457 WeakPolarHBondContact CD2-O 3.35Å; Y446-H457 PolarHBondContact N-O 2.75Å; Y446-I459 HydrophobicContact CD1-CD1 4.01Å; Y446-I459 HydrophobicContact CD2-CD1 4.4Å; Y446-I459 HydrophobicContact CD2-CG1 4.09Å; Y446-I459 HydrophobicContact CE1-CD1 3.72Å; Y446-I459 HydrophobicContact CE1-CG1 4.14Å; Y446-I459 HydrophobicContact CE2-CD1 4.13Å; Y446-I459 HydrophobicContact CE2-CG1 3.63Å; Y446-I459 HydrophobicContact CG-CD1 4.33Å |
| 447 | S | 92.3 | Very high | 88.1 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71 | -25.5 | -171.2 | -34.9 | 0 | 0 | 0 | 0 | 113.3 | P401 T403 | P401-S447 WeakPolarHBondContact CB-OG 3.39Å; P401-S447 PolarHBondContact O-N 3.39Å; P401-S447 PolarHBondContact O-OG 3.05Å; T403-S447 PolarHBondContact OG1-OG 3.16Å |
| 448 | N | 87.5 | Confident | 88.2 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | trans | -123.5 | 90.8 | -179.9 | -168.6 | -2.6 | 0 | 0 | 0 | 111.9 | Y446 Q450 E451 | Y446-N448 VanDerWaalsContact C-N 3.31Å; Y446-N448 PolarHBondContact O-N 3.34Å; N448-Q450 PolarHBondContact O-N 3.5Å; N448-Q450 PolarHBondContact OD1-N 3.4Å; N448-E451 WeakPolarHBondContact ND2-CG 3.43Å; N448-E451 PolarHBondContact ND2-OE1 3.39Å; N448-E451 PolarHBondContact O-N 2.98Å | ||
| 449 | P | 83.4 | Confident | 88.4 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.6 | -179.4 | -24.4 | 34.2 | 0 | 0 | 0 | 114.5 | E451 L452 H457 | P449-E451 VanDerWaalsContact C-N 3.28Å; P449-E451 PolarHBondContact O-N 3.16Å; P449-L452 WeakPolarHBondContact O-CB 3.24Å; P449-L452 PolarHBondContact O-N 2.89Å; P449-H457 HydrophobicContact CB-CB 4.19Å; P449-H457 HydrophobicContact CG-CB 3.98Å |
| 450 | Q | 82.7 | Confident | 88.4 | Confident | 176 Ų | 176 | 43.9 Ų | 43.9 | 82% | 0.822 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -73.4 | -21.3 | -177.2 | -60.2 | -64 | -8.2 | 0 | 0 | 113.1 | N448 | N448-Q450 PolarHBondContact O-N 3.5Å; N448-Q450 PolarHBondContact OD1-N 3.4Å |
| 451 | E | 81.3 | Confident | 88.5 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -87.3 | -8.9 | 175.8 | -72.8 | -178.7 | -160.1 | 0 | 0 | 112.6 | F400 K422 N448 P449 | F400-E451 WeakPolarHBondContact CE1-O 3.35Å; K422-E451 IonicContact NZ-OE1 3.87Å; K422-E451 IonicContact NZ-OE2 3.52Å; K422-E451 PolarHBondContact NZ-OE2 3.18Å; N448-E451 WeakPolarHBondContact ND2-CG 3.43Å; N448-E451 PolarHBondContact ND2-OE1 3.39Å; N448-E451 PolarHBondContact O-N 2.98Å; P449-E451 VanDerWaalsContact C-N 3.28Å; P449-E451 PolarHBondContact O-N 3.16Å |
| 452 | L | 84.2 | Confident | 88.5 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -78 | 144 | -180 | -64.6 | 176.2 | 0 | 0 | 0 | 111.1 | T149 F400 Y446 P449 Y454 H457 | T149-L452 HydrophobicContact CG2-CD2 4.41Å; F400-L452 HydrophobicContact CB-CD2 4.27Å; F400-L452 HydrophobicContact CD1-CD2 3.77Å; F400-L452 HydrophobicContact CD2-CD2 4.17Å; F400-L452 HydrophobicContact CE1-CD2 4.09Å; F400-L452 HydrophobicContact CE2-CD2 4.49Å; F400-L452 HydrophobicContact CG-CD2 3.8Å; F400-L452 HydrophobicContact CZ-CD2 4.44Å; Y446-L452 HydrophobicContact CD1-CD2 4.28Å; Y446-L452 HydrophobicContact CD2-CD1 3.7Å; Y446-L452 HydrophobicContact CD2-CD2 3.69Å; Y446-L452 HydrophobicContact CD2-CG 4.34Å; Y446-L452 HydrophobicContact CE2-CD2 4.24Å; Y446-L452 HydrophobicContact CG-CD1 4.11Å; Y446-L452 HydrophobicContact CG-CD2 3.72Å; Y446-L452 HydrophobicContact CG-CG 4.46Å; P449-L452 WeakPolarHBondContact O-CB 3.24Å; P449-L452 PolarHBondContact O-N 2.89Å; L452-Y454 WeakPolarHBondContact CB-O 3.48Å; L452-Y454 PolarHBondContact O-N 3.49Å; L452-H457 HydrophobicContact CD1-CB 3.71Å |
| 453 | P | 76.5 | Confident | 88.6 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -74.6 | 15.4 | 171.5 | 30.5 | -31.5 | 0 | 0 | 0 | 113.1 | R73 P229 Y230 | R73-P453 PolarHBondContact NH1-O 3.23Å; R73-P453 PolarHBondContact NH2-O 2.85Å; R73-P453 VanDerWaalsContact NH2-O 3.08Å; P229-P453 HydrophobicContact CB-CB 4.39Å; P229-P453 HydrophobicContact CG-CB 4.03Å; Y230-P453 PolarHBondContact OH-O 3.45Å |
| 454 | Y | 77.2 | Confident | 88.5 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -165.1 | 163.7 | 176.9 | 56.6 | -90.7 | 0 | 0 | 0 | 112.7 | T149 L452 D456 | T149-Y454 WeakPolarHBondContact CB-OH 3.35Å; T149-Y454 HydrophobicContact CG2-CD1 4.44Å; T149-Y454 HydrophobicContact CG2-CE1 3.25Å; T149-Y454 WeakPolarHBondContact CG2-OH 3.46Å; T149-Y454 VanDerWaalsContact OG1-CE1 3.26Å; T149-Y454 WeakPolarHBondContact OG1-CE1 3.34Å; T149-Y454 VanDerWaalsContact OG1-CZ 3.28Å; T149-Y454 PolarHBondContact OG1-OH 3.17Å; L452-Y454 WeakPolarHBondContact CB-O 3.48Å; L452-Y454 PolarHBondContact O-N 3.49Å; Y454-D456 HydrophobicContact CD2-CB 4.26Å; Y454-D456 WeakPolarHBondContact CD2-O 3.48Å; Y454-D456 HydrophobicContact CE2-CB 4.39Å; Y454-D456 WeakPolarHBondContact CE2-O 2.93Å |
| 455 | P | 75.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76 | -31.2 | -169.9 | -16.1 | 30.3 | 0 | 0 | 0 | 115.7 | P78 H457 | P78-P455 HydrophobicContact CG-CG 4.27Å; P455-H457 PolarHBondContact O-N 2.89Å |
| 456 | D | 83.9 | Confident | 88.2 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | trans | -78.3 | 105.4 | -175.6 | -163.8 | -12.5 | 0 | 0 | 0 | 110.7 | Y454 R458 | Y454-D456 HydrophobicContact CD2-CB 4.26Å; Y454-D456 WeakPolarHBondContact CD2-O 3.48Å; Y454-D456 HydrophobicContact CE2-CB 4.39Å; Y454-D456 WeakPolarHBondContact CE2-O 2.93Å; D456-R458 VanDerWaalsContact C-N 3.31Å; D456-R458 PolarHBondContact O-N 2.88Å; D456-R458 WeakPolarHBondContact OD1-CB 3.37Å; D456-R458 IonicContact OD1-CZ 2.65Å; D456-R458 PolarHBondContact OD1-N 3.35Å; D456-R458 IonicContact OD1-NE 3.56Å; D456-R458 PolarHBondContact OD1-NE 3.42Å; D456-R458 IonicContact OD1-NH2 2.81Å; D456-R458 IonicContact OD2-CZ 2.8Å; D456-R458 IonicContact OD2-NE 3.68Å; D456-R458 IonicContact OD2-NH2 3.81Å; D456-R458 PolarHBondContact OD2-NH2 2.96Å | ||
| 457 | H | 90 | Very high | 87.9 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | trans | -86.1 | -1 | -177.9 | 56.1 | -79.8 | 0 | 0 | 0 | 113.3 | F445 Y446 P449 L452 P455 | F445-H457 CarbonylContact C-O 3.58Å; F445-H457 WeakPolarHBondContact CA-O 3.39Å; F445-H457 VanDerWaalsContact CB-O 3.31Å; F445-H457 WeakPolarHBondContact CB-O 3.45Å; F445-H457 AromaticContact CD2-CD2 3.94Å; Y446-H457 VanDerWaalsContact CD2-O 3.31Å; Y446-H457 WeakPolarHBondContact CD2-O 3.35Å; Y446-H457 PolarHBondContact N-O 2.75Å; P449-H457 HydrophobicContact CB-CB 4.19Å; P449-H457 HydrophobicContact CG-CB 3.98Å; L452-H457 HydrophobicContact CD1-CB 3.71Å; P455-H457 PolarHBondContact O-N 2.89Å | ||
| 458 | R | 91.8 | Very high | 87.7 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 143.8 | -177.3 | -60.9 | 171.3 | -61.1 | 164.8 | 7.4 | 111.3 | D456 I592 | D456-R458 VanDerWaalsContact C-N 3.31Å; D456-R458 PolarHBondContact O-N 2.88Å; D456-R458 WeakPolarHBondContact OD1-CB 3.37Å; D456-R458 IonicContact OD1-CZ 2.65Å; D456-R458 PolarHBondContact OD1-N 3.35Å; D456-R458 IonicContact OD1-NE 3.56Å; D456-R458 PolarHBondContact OD1-NE 3.42Å; D456-R458 IonicContact OD1-NH2 2.81Å; D456-R458 IonicContact OD2-CZ 2.8Å; D456-R458 IonicContact OD2-NE 3.68Å; D456-R458 IonicContact OD2-NH2 3.81Å; D456-R458 PolarHBondContact OD2-NH2 2.96Å; R458-I592 HydrophobicContact CB-CD1 4.36Å; R458-I592 HydrophobicContact CB-CG1 3.99Å |
| 459 | I | 94 | Very high | 87.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -49.1 | 176.7 | -64.5 | 166.6 | 0 | 0 | 0 | 109.9 | D150 I402 A444 Y446 L490 I592 | D150-I459 HydrophobicContact CB-CG1 4.48Å; D150-I459 HydrophobicContact CB-CG2 3.85Å; I402-I459 HydrophobicContact CB-CD1 4.49Å; I402-I459 HydrophobicContact CD1-CD1 4.15Å; I402-I459 HydrophobicContact CG1-CD1 3.98Å; I402-I459 HydrophobicContact CG2-CD1 3.86Å; A444-I459 HydrophobicContact CB-CB 4.04Å; A444-I459 HydrophobicContact CB-CG2 4.42Å; A444-I459 WeakPolarHBondContact O-CB 3.46Å; A444-I459 PolarHBondContact O-N 3.14Å; Y446-I459 HydrophobicContact CD1-CD1 4.01Å; Y446-I459 HydrophobicContact CD2-CD1 4.4Å; Y446-I459 HydrophobicContact CD2-CG1 4.09Å; Y446-I459 HydrophobicContact CE1-CD1 3.72Å; Y446-I459 HydrophobicContact CE1-CG1 4.14Å; Y446-I459 HydrophobicContact CE2-CD1 4.13Å; Y446-I459 HydrophobicContact CE2-CG1 3.63Å; Y446-I459 HydrophobicContact CG-CD1 4.33Å; I459-L490 HydrophobicContact CD1-CD2 4.18Å; I459-L490 HydrophobicContact CG2-CB 4.21Å; I459-L490 HydrophobicContact CG2-CD2 3.97Å; I459-I592 WeakPolarHBondContact O-CG1 3.23Å; I459-I592 PolarHBondContact O-N 3.33Å |
| 460 | G | 93.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A444 N590 | A444-G460 PolarHBondContact N-O 2.88Å; A444-G460 PolarHBondContact O-N 2.99Å; G460-N590 CarbonylContact C-O 3.59Å; G460-N590 WeakPolarHBondContact CA-O 3.4Å |
| 461 | C | 94.4 | Very high | 87.6 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.8 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | L442 N590 | L442-C461 CarbonylContact O-C 3.52Å; L442-C461 WeakPolarHBondContact O-CA 3.41Å; C461-N590 HydrophobicContact CB-CB 4.49Å; C461-N590 PolarHBondContact N-O 2.73Å; C461-N590 PolarHBondContact O-N 3.23Å |
| 462 | F | 95.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.4 | -178.4 | -54.8 | -88.9 | 0 | 0 | 0 | 109.8 | L442 A444 L490 V492 I587 V588 A589 | L442-F462 HydrophobicContact CB-CB 4.3Å; L442-F462 PolarHBondContact N-O 2.94Å; L442-F462 PolarHBondContact O-N 3.02Å; A444-F462 HydrophobicContact CB-CE2 3.94Å; F462-L490 HydrophobicContact CE2-CD2 4.36Å; F462-V492 HydrophobicContact CB-CB 4.39Å; F462-V492 HydrophobicContact CB-CG2 3.71Å; F462-V492 HydrophobicContact CD1-CB 4.02Å; F462-V492 HydrophobicContact CD1-CG2 3.65Å; F462-V492 HydrophobicContact CD2-CG2 3.72Å; F462-V492 HydrophobicContact CE1-CG2 4.18Å; F462-V492 HydrophobicContact CE2-CG2 4.24Å; F462-V492 HydrophobicContact CG-CB 4.2Å; F462-V492 HydrophobicContact CG-CG2 3.4Å; F462-V492 HydrophobicContact CZ-CG2 4.44Å; F462-I587 HydrophobicContact CB-CG2 4.26Å; F462-I587 HydrophobicContact CD1-CG2 4.49Å; F462-V588 CarbonylContact C-O 3.59Å; F462-V588 WeakPolarHBondContact CA-O 3.35Å; F462-A589 HydrophobicContact CD1-CB 3.67Å; F462-A589 HydrophobicContact CE1-CB 3.77Å |
| 463 | S | 95.2 | Very high | 87.1 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116 | 179.1 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | D441 I587 V588 | D441-S463 WeakPolarHBondContact OD1-CA 3.29Å; D441-S463 WeakPolarHBondContact OD1-CB 3.43Å; D441-S463 PolarHBondContact OD1-OG 2.73Å; S463-I587 WeakPolarHBondContact O-CA 3.42Å; S463-V588 PolarHBondContact N-O 3.18Å; S463-V588 PolarHBondContact O-N 2.9Å |
| 464 | V | 94.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112.9 | 174 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | P439 F440 L442 V467 V478 V480 A495 L585 | P439-V464 VanDerWaalsContact CA-O 3.3Å; P439-V464 WeakPolarHBondContact CA-O 3.35Å; P439-V464 WeakPolarHBondContact CB-O 3.4Å; F440-V464 HydrophobicContact CD1-CB 4.23Å; F440-V464 HydrophobicContact CE1-CB 3.86Å; F440-V464 HydrophobicContact CE1-CG1 4.11Å; F440-V464 HydrophobicContact CE1-CG2 4.2Å; F440-V464 HydrophobicContact CE2-CG2 4.42Å; F440-V464 HydrophobicContact CZ-CB 4.18Å; F440-V464 HydrophobicContact CZ-CG2 3.99Å; F440-V464 PolarHBondContact N-O 2.85Å; F440-V464 PolarHBondContact O-N 3.22Å; L442-V464 HydrophobicContact CD1-CG2 4.3Å; V464-V467 HydrophobicContact CG1-CG2 3.87Å; V464-V478 HydrophobicContact CG1-CG1 4.45Å; V464-V480 HydrophobicContact CG2-CG2 4.36Å; V464-A495 HydrophobicContact CG1-CB 3.78Å; V464-A495 HydrophobicContact CG2-CB 4.3Å; V464-L585 HydrophobicContact CG1-CB 4.03Å; V464-L585 HydrophobicContact CG1-CD1 3.64Å |
| 465 | Q | 93.5 | Very high | 87.8 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -95.2 | 168.7 | -174 | -61.8 | -172.2 | -18 | 0 | 0 | 112.5 | V467 P586 V588 | Q465-V467 PolarHBondContact O-N 2.97Å; Q465-V467 VanDerWaalsContact O-N 3.08Å; Q465-P586 HydrophobicContact CB-CB 4.32Å; Q465-P586 PolarHBondContact N-O 3.25Å; Q465-V588 HydrophobicContact CG-CG2 4.46Å; Q465-V588 VanDerWaalsContact NE2-CG2 3.25Å | ||
| 466 | N | 91.6 | Very high | 88.5 | Confident | 105 Ų | 105 | 49.1 Ų | 49.1 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | trans | 55.7 | 27 | 174.5 | -58.6 | -16.6 | 0 | 0 | 0 | 114.7 | V468 L585 | N466-V468 PolarHBondContact O-N 3.49Å; N466-L585 HydrophobicContact CB-CD2 4.44Å; N466-L585 WeakPolarHBondContact O-CD2 3.13Å | ||
| 467 | V | 88.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | trans | -74.2 | 115.2 | 169.8 | -179.3 | 0 | 0 | 0 | 0 | 108 | K436 F440 V464 Q465 V478 L497 L585 | K436-V467 HydrophobicContact CB-CG1 4Å; F440-V467 HydrophobicContact CD1-CG2 4.21Å; F440-V467 HydrophobicContact CE1-CG2 4.16Å; V464-V467 HydrophobicContact CG1-CG2 3.87Å; Q465-V467 PolarHBondContact O-N 2.97Å; Q465-V467 VanDerWaalsContact O-N 3.08Å; V467-V478 HydrophobicContact CG1-CG2 3.95Å; V467-V478 HydrophobicContact CG2-CG2 4.28Å; V467-L497 HydrophobicContact CG1-CD1 4.44Å; V467-L585 HydrophobicContact CG2-CD1 3.66Å | ||
| 468 | V | 88.3 | Confident | 89.1 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | trans | -110.1 | 150.2 | 176.6 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | N466 S476 L497 | N466-V468 PolarHBondContact O-N 3.49Å; V468-S476 WeakPolarHBondContact O-CB 2.98Å; V468-S476 PolarHBondContact O-OG 2.82Å; V468-L497 HydrophobicContact CG2-CD1 4.23Å | ||
| 469 | P | 86.5 | Confident | 89.2 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | trans | -67.3 | 162.5 | 174.8 | 30 | -34.3 | 0 | 0 | 0 | 111 | K437 G474 | K437-P469 HydrophobicContact CB-CB 4.47Å; K437-P469 WeakPolarHBondContact O-CD 3.38Å; P469-G474 WeakPolarHBondContact CA-O 3.49Å; P469-G474 WeakPolarHBondContact CB-O 3.39Å | ||
| 470 | Q | 83.2 | Confident | 89.3 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | trans | -66 | 160.5 | 173.1 | -75.9 | -171.2 | 58.4 | 0 | 0 | 110.7 | D472 G473 G474 S475 S476 | Q470-D472 WeakPolarHBondContact CB-OD1 3.42Å; Q470-D472 PolarHBondContact O-N 3.35Å; Q470-G473 PolarHBondContact O-N 3.48Å; Q470-G474 PolarHBondContact N-O 3.14Å; Q470-S475 PolarHBondContact NE2-O 3.27Å; Q470-S476 PolarHBondContact N-OG 3.12Å | ||
| 471 | P | 80.4 | Confident | 89.4 | Confident | 135 Ų | 135 | 50.9 Ų | 50.9 | 88% | 0.877 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.5 | 178.8 | -27 | 35.1 | 0 | 0 | 0 | 114.8 | G473 | P471-G473 VanDerWaalsContact C-N 3.34Š|
| 472 | D | 79.6 | Confident | 89.5 | Confident | 127 Ų | 127 | 49 Ų | 49 | 68% | 0.679 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.8 | 175.7 | 64 | 1.4 | 0 | 0 | 0 | 114 | Q470 G474 | Q470-D472 WeakPolarHBondContact CB-OD1 3.42Å; Q470-D472 PolarHBondContact O-N 3.35Å; D472-G474 PolarHBondContact O-N 3.46Å; D472-G474 WeakPolarHBondContact OD1-CA 3.29Å; D472-G474 PolarHBondContact OD1-N 2.88Å |
| 473 | G | 76.6 | Confident | 89.5 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 76.6 | 3.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K437 Q470 P471 | K437-G473 WeakPolarHBondContact CE-O 3.37Å; K437-G473 PolarHBondContact NZ-O 3.11Å; Q470-G473 PolarHBondContact O-N 3.48Å; P471-G473 VanDerWaalsContact C-N 3.34Å |
| 474 | G | 82.7 | Confident | 89.6 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 169.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P469 Q470 D472 | P469-G474 WeakPolarHBondContact CA-O 3.49Å; P469-G474 WeakPolarHBondContact CB-O 3.39Å; Q470-G474 PolarHBondContact N-O 3.14Å; D472-G474 PolarHBondContact O-N 3.46Å; D472-G474 WeakPolarHBondContact OD1-CA 3.29Å; D472-G474 PolarHBondContact OD1-N 2.88Å |
| 475 | S | 85.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 136.7 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | Q470 | Q470-S475 PolarHBondContact NE2-O 3.27Š|
| 476 | S | 89.3 | Confident | 89.6 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.9 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 110.8 | H435 K436 V468 Q470 V478 | H435-S476 WeakPolarHBondContact CA-O 3.45Å; K436-S476 PolarHBondContact N-O 3.23Å; K436-S476 PolarHBondContact O-N 2.93Å; V468-S476 WeakPolarHBondContact O-CB 2.98Å; V468-S476 PolarHBondContact O-OG 2.82Å; Q470-S476 PolarHBondContact N-OG 3.12Å; S476-V478 PolarHBondContact O-N 3.37Å |
| 477 | K | 92.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 110.3 | 176.5 | -176 | 179.8 | -172.6 | 175.1 | 0 | 109 | T433 I498 | T433-K477 HydrophobicContact CG2-CD 4.2Å; T433-K477 VanDerWaalsContact CG2-CE 3.43Å; T433-K477 HydrophobicContact CG2-CG 3.68Å; K477-I498 HydrophobicContact CB-CB 4.29Å; K477-I498 HydrophobicContact CD-CD1 4.27Å; K477-I498 HydrophobicContact CG-CD1 4.49Å; K477-I498 WeakPolarHBondContact O-CB 3.43Å; K477-I498 PolarHBondContact O-N 2.91Å |
| 478 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.8 | 179.6 | -174.8 | 0 | 0 | 0 | 0 | 109 | T433 F434 F440 V464 V467 S476 V480 S496 L585 | T433-V478 CarbonylContact C-O 3.59Å; T433-V478 WeakPolarHBondContact CA-O 3.45Å; F434-V478 PolarHBondContact N-O 2.53Å; F434-V478 PolarHBondContact O-N 2.85Å; F440-V478 HydrophobicContact CE1-CG1 4.35Å; V464-V478 HydrophobicContact CG1-CG1 4.45Å; V467-V478 HydrophobicContact CG1-CG2 3.95Å; V467-V478 HydrophobicContact CG2-CG2 4.28Å; S476-V478 PolarHBondContact O-N 3.37Å; V478-V480 HydrophobicContact CG1-CG2 4Å; V478-S496 WeakPolarHBondContact CA-O 3.15Å; V478-L585 HydrophobicContact CG1-CD1 3.76Å; V478-L585 HydrophobicContact CG2-CD1 4.33Å |
| 479 | K | 94.5 | Very high | 90.5 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.1 | 170.5 | -72.7 | -174.5 | -177.7 | 167.3 | 0 | 109.2 | V431 A495 S496 I498 | V431-K479 HydrophobicContact CG1-CB 4.04Å; V431-K479 HydrophobicContact CG1-CD 4.25Å; V431-K479 HydrophobicContact CG1-CG 4.29Å; K479-A495 CarbonylContact O-C 3.52Å; K479-A495 WeakPolarHBondContact O-CA 3.48Å; K479-S496 PolarHBondContact N-O 3.26Å; K479-S496 PolarHBondContact O-N 2.86Å; K479-I498 HydrophobicContact CD-CD1 3.59Å; K479-I498 HydrophobicContact CG-CD1 3.75Å |
| 480 | V | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | V431 I432 F434 F440 L442 V464 V478 V482 V492 A495 | V431-V480 CarbonylContact C-O 3.49Å; V431-V480 WeakPolarHBondContact CA-O 3.46Å; I432-V480 PolarHBondContact N-O 2.77Å; I432-V480 PolarHBondContact O-N 3.3Å; F434-V480 HydrophobicContact CD2-CB 4.16Å; F434-V480 HydrophobicContact CD2-CG2 3.67Å; F434-V480 HydrophobicContact CE2-CB 3.86Å; F434-V480 HydrophobicContact CE2-CG2 3.79Å; F440-V480 HydrophobicContact CZ-CG2 4.17Å; L442-V480 HydrophobicContact CD1-CG1 3.87Å; L442-V480 HydrophobicContact CD1-CG2 4.42Å; V464-V480 HydrophobicContact CG2-CG2 4.36Å; V478-V480 HydrophobicContact CG1-CG2 4Å; V480-V482 HydrophobicContact CG1-CG2 4.06Å; V480-V492 HydrophobicContact CG1-CG1 3.34Å; V480-A495 HydrophobicContact CG2-CB 4.2Å |
| 481 | K | 95.9 | Very high | 91.5 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 106 | 179.5 | -174.4 | -177.1 | 174 | -177.6 | 0 | 109.9 | S429 V431 S493 S494 | S429-K481 VanDerWaalsContact CB-CE 3.47Å; S429-K481 WeakPolarHBondContact OG-CE 3.04Å; V431-K481 HydrophobicContact CG2-CB 4.22Å; V431-K481 HydrophobicContact CG2-CG 4.07Å; K481-S493 WeakPolarHBondContact CB-OG 3.4Å; K481-S493 WeakPolarHBondContact CD-OG 3.49Å; K481-S493 VanDerWaalsContact CG-OG 3.26Å; K481-S493 WeakPolarHBondContact CG-OG 3.37Å; K481-S493 PolarHBondContact O-N 2.93Å; K481-S493 PolarHBondContact O-OG 3.2Å; K481-S494 PolarHBondContact N-O 3.17Å |
| 482 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.7 | 178.9 | -170.5 | 0 | 0 | 0 | 0 | 109 | L404 V419 F420 S429 K430 I432 V480 L490 V492 | L404-V482 HydrophobicContact CD1-CB 4.4Å; L404-V482 HydrophobicContact CD1-CG1 4.17Å; L404-V482 HydrophobicContact CD1-CG2 3.75Å; V419-V482 HydrophobicContact CG1-CB 4.33Å; V419-V482 HydrophobicContact CG1-CG1 4.39Å; F420-V482 HydrophobicContact CE2-CG1 4.1Å; S429-V482 CarbonylContact C-O 3.56Å; S429-V482 VanDerWaalsContact CA-O 3.32Å; S429-V482 WeakPolarHBondContact CA-O 3.42Å; K430-V482 PolarHBondContact N-O 2.96Å; K430-V482 PolarHBondContact O-N 3.48Å; I432-V482 HydrophobicContact CD1-CG2 4.43Å; V480-V482 HydrophobicContact CG1-CG2 4.06Å; V482-L490 HydrophobicContact CG1-CD1 3.68Å; V482-L490 HydrophobicContact CG1-CG 4.45Å; V482-V492 HydrophobicContact CG2-CG2 4.41Å |
| 483 | R | 96 | Very high | 92.6 | Very high | 91 Ų | 91 | 34 Ų | 34 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.4 | -171.2 | 177.9 | 174.4 | -170.8 | -166.6 | 3.2 | 111.1 | F428 S429 L490 S491 | F428-R483 VanDerWaalsContact O-CA 3.32Å; F428-R483 WeakPolarHBondContact O-CA 3.39Å; F428-R483 WeakPolarHBondContact O-CG 3.43Å; S429-R483 WeakPolarHBondContact OG-CB 3.27Å; S429-R483 WeakPolarHBondContact OG-CD 3.5Å; S429-R483 WeakPolarHBondContact OG-CG 3.29Å; R483-L490 CarbonylContact O-C 3.56Å; R483-L490 WeakPolarHBondContact O-CA 3.45Å; R483-S491 PolarHBondContact N-O 3.24Å; R483-S491 PolarHBondContact O-N 2.85Å |
| 484 | V | 96.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.8 | 153.6 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | V398 I402 F420 A426 P427 F428 I489 L490 | V398-V484 HydrophobicContact CG2-CB 4.49Å; V398-V484 HydrophobicContact CG2-CG1 4.24Å; V398-V484 HydrophobicContact CG2-CG2 4.23Å; I402-V484 HydrophobicContact CD1-CG2 4.2Å; F420-V484 HydrophobicContact CD1-CG2 4.16Å; F420-V484 HydrophobicContact CD2-CG2 3.73Å; F420-V484 HydrophobicContact CE1-CG2 4.14Å; F420-V484 HydrophobicContact CE2-CG2 3.76Å; F420-V484 HydrophobicContact CG-CG2 3.96Å; F420-V484 HydrophobicContact CZ-CG2 3.97Å; A426-V484 HydrophobicContact CB-CG1 4.09Å; P427-V484 WeakPolarHBondContact CA-O 3.46Å; P427-V484 WeakPolarHBondContact CB-O 3.44Å; F428-V484 PolarHBondContact N-O 2.89Å; F428-V484 PolarHBondContact O-N 3.34Å; V484-I489 WeakPolarHBondContact CA-O 3.44Å; V484-L490 HydrophobicContact CG2-CD1 4.17Å |
| 485 | N | 95 | Very high | 93.9 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | trans | -83.1 | -174.4 | -173.4 | 73.3 | 15.8 | 0 | 0 | 0 | 112.2 | H487 G488 I489 | N485-H487 PolarHBondContact O-N 3.1Å; N485-H487 WeakPolarHBondContact OD1-CA 3.37Å; N485-H487 WeakPolarHBondContact OD1-CB 3.42Å; N485-H487 PolarHBondContact OD1-N 3.26Å; N485-G488 PolarHBondContact O-N 3.09Å; N485-G488 VanDerWaalsContact O-N 3.09Å; N485-G488 PolarHBondContact OD1-N 3.32Å; N485-I489 PolarHBondContact N-O 3.44Å; N485-I489 PolarHBondContact OD1-N 3.22Å; N485-I489 VanDerWaalsContact OD1-N 3.08Å; N485-I489 PolarHBondContact OD1-O 2.97Å | ||
| 486 | I | 94.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18 | -177.9 | 63 | 175 | 0 | 0 | 0 | 114.2 | L168 R169 P427 | L168-I486 WeakPolarHBondContact O-CD1 3.41Å; R169-I486 PolarHBondContact NE-O 3.28Å; P427-I486 HydrophobicContact CB-CG2 4.23Å; P427-I486 HydrophobicContact CG-CG2 4.08Å |
| 487 | H | 96.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7 | 176.1 | -52.6 | -85.3 | 0 | 0 | 0 | 112.2 | R153 C167 L170 N485 I489 | R153-H487 WeakPolarHBondContact CD-O 3.41Å; R153-H487 PolarHBondContact NH1-O 2.8Å; C167-H487 PolarHBondContact O-CE1 2.9Å; L170-H487 HydrophobicContact CB-CB 4.13Å; L170-H487 HydrophobicContact CD1-CB 4.46Å; L170-H487 HydrophobicContact CG-CB 4.41Å; L170-H487 PolarHBondContact N-ND1 3.25Å; L170-H487 VanDerWaalsContact N-ND1 3.12Å; N485-H487 PolarHBondContact O-N 3.1Å; N485-H487 WeakPolarHBondContact OD1-CA 3.37Å; N485-H487 WeakPolarHBondContact OD1-CB 3.42Å; N485-H487 PolarHBondContact OD1-N 3.26Å; H487-I489 HydrophobicContact CB-CD1 4.04Å; H487-I489 HydrophobicContact CB-CG1 4.21Å |
| 488 | G | 95 | Very high | 94.1 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 32% | 0.32 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 80.7 | 19.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N485 | N485-G488 PolarHBondContact O-N 3.09Å; N485-G488 VanDerWaalsContact O-N 3.09Å; N485-G488 PolarHBondContact OD1-N 3.32Å |
| 489 | I | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -100.6 | 137.4 | -178.7 | -68.7 | 170.7 | 0 | 0 | 0 | 110 | D150 R153 R154 L157 V484 N485 H487 | D150-I489 VanDerWaalsContact OD2-CA 3.27Å; D150-I489 WeakPolarHBondContact OD2-CA 3.04Å; D150-I489 VanDerWaalsContact OD2-CG2 3.29Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.35Å; R153-I489 HydrophobicContact CB-CD1 3.98Å; R153-I489 HydrophobicContact CB-CG1 3.85Å; R154-I489 HydrophobicContact CG-CD1 3.93Å; R154-I489 HydrophobicContact CG-CG2 4.46Å; L157-I489 HydrophobicContact CD1-CD1 3.41Å; L157-I489 VanDerWaalsContact CD1-CD1 3.41Å; L157-I489 HydrophobicContact CG-CD1 4.43Å; V484-I489 WeakPolarHBondContact CA-O 3.44Å; N485-I489 PolarHBondContact N-O 3.44Å; N485-I489 PolarHBondContact OD1-N 3.22Å; N485-I489 VanDerWaalsContact OD1-N 3.08Å; N485-I489 PolarHBondContact OD1-O 2.97Å; H487-I489 HydrophobicContact CB-CD1 4.04Å; H487-I489 HydrophobicContact CB-CG1 4.21Å | ||
| 490 | L | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.8 | 174.7 | -174.6 | 76.8 | 0 | 0 | 0 | 110.7 | D150 R154 I402 F420 A444 I459 F462 V482 R483 V484 | D150-L490 PolarHBondContact OD2-N 2.86Å; R154-L490 PolarHBondContact NH2-O 2.67Å; I402-L490 HydrophobicContact CD1-CB 4.41Å; I402-L490 HydrophobicContact CD1-CD1 4.22Å; I402-L490 HydrophobicContact CG2-CD1 4.17Å; I402-L490 HydrophobicContact CG2-CD2 3.83Å; F420-L490 HydrophobicContact CD2-CD1 4.07Å; F420-L490 HydrophobicContact CE2-CD1 3.65Å; A444-L490 HydrophobicContact CB-CD2 3.32Å; I459-L490 HydrophobicContact CD1-CD2 4.18Å; I459-L490 HydrophobicContact CG2-CB 4.21Å; I459-L490 HydrophobicContact CG2-CD2 3.97Å; F462-L490 HydrophobicContact CE2-CD2 4.36Å; V482-L490 HydrophobicContact CG1-CD1 3.68Å; V482-L490 HydrophobicContact CG1-CG 4.45Å; R483-L490 CarbonylContact O-C 3.56Å; R483-L490 WeakPolarHBondContact O-CA 3.45Å; V484-L490 HydrophobicContact CG2-CD1 4.17Å |
| 491 | S | 93.9 | Very high | 91.4 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.5 | 168.4 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | R483 | R483-S491 PolarHBondContact N-O 3.24Å; R483-S491 PolarHBondContact O-N 2.85Å |
| 492 | V | 93.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 103.4 | 164 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | F462 V480 V482 I587 | F462-V492 HydrophobicContact CB-CB 4.39Å; F462-V492 HydrophobicContact CB-CG2 3.71Å; F462-V492 HydrophobicContact CD1-CB 4.02Å; F462-V492 HydrophobicContact CD1-CG2 3.65Å; F462-V492 HydrophobicContact CD2-CG2 3.72Å; F462-V492 HydrophobicContact CE1-CG2 4.18Å; F462-V492 HydrophobicContact CE2-CG2 4.24Å; F462-V492 HydrophobicContact CG-CB 4.2Å; F462-V492 HydrophobicContact CG-CG2 3.4Å; F462-V492 HydrophobicContact CZ-CG2 4.44Å; V480-V492 HydrophobicContact CG1-CG1 3.34Å; V482-V492 HydrophobicContact CG2-CG2 4.41Å; V492-I587 HydrophobicContact CB-CD1 4.31Å; V492-I587 HydrophobicContact CB-CG2 4.29Å; V492-I587 HydrophobicContact CG1-CD1 3.62Å; V492-I587 HydrophobicContact CG1-CG1 4.38Å; V492-I587 HydrophobicContact CG1-CG2 4.44Å |
| 493 | S | 89.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -31.7 | -170.1 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | K481 | K481-S493 WeakPolarHBondContact CB-OG 3.4Å; K481-S493 WeakPolarHBondContact CD-OG 3.49Å; K481-S493 VanDerWaalsContact CG-OG 3.26Å; K481-S493 WeakPolarHBondContact CG-OG 3.37Å; K481-S493 PolarHBondContact O-N 2.93Å; K481-S493 PolarHBondContact O-OG 3.2Å |
| 494 | S | 93.2 | Very high | 84.3 | Confident | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 151.7 | 175.7 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | K481 | K481-S494 PolarHBondContact N-O 3.17Å |
| 495 | A | 93.9 | Very high | 81.4 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | V464 K479 V480 L585 I587 | V464-A495 HydrophobicContact CG1-CB 3.78Å; V464-A495 HydrophobicContact CG2-CB 4.3Å; K479-A495 CarbonylContact O-C 3.52Å; K479-A495 WeakPolarHBondContact O-CA 3.48Å; V480-A495 HydrophobicContact CG2-CB 4.2Å; A495-L585 HydrophobicContact CB-CB 4.04Å; A495-L585 PolarHBondContact O-N 3.39Å; A495-I587 HydrophobicContact CB-CD1 3.85Å; A495-I587 HydrophobicContact CB-CG1 3.9Å |
| 496 | S | 93.4 | Very high | 78.5 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 125.6 | -176.7 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | V478 K479 S582 I583 | V478-S496 WeakPolarHBondContact CA-O 3.15Å; K479-S496 PolarHBondContact N-O 3.26Å; K479-S496 PolarHBondContact O-N 2.86Å; S496-S582 WeakPolarHBondContact CB-OG 3.49Å; S496-I583 CarbonylContact C-O 3.6Å; S496-I583 VanDerWaalsContact CA-O 3.26Å; S496-I583 WeakPolarHBondContact CA-O 3.46Å |
| 497 | L | 90 | Very high | 75.7 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.7 | 172.7 | -168.6 | 147.9 | 0 | 0 | 0 | 109.9 | V467 V468 E499 S582 I583 L585 | V467-L497 HydrophobicContact CG1-CD1 4.44Å; V468-L497 HydrophobicContact CG2-CD1 4.23Å; L497-E499 HydrophobicContact CD2-CG 3.5Å; L497-S582 CarbonylContact O-C 3.56Å; L497-S582 WeakPolarHBondContact O-CA 3.4Å; L497-I583 HydrophobicContact CB-CB 4.41Å; L497-I583 PolarHBondContact N-O 2.93Å; L497-I583 PolarHBondContact O-N 2.97Å; L497-L585 HydrophobicContact CB-CD1 4.07Å; L497-L585 HydrophobicContact CB-CD2 4.03Å; L497-L585 HydrophobicContact CB-CG 4.12Å; L497-L585 HydrophobicContact CD1-CD2 4.49Å |
| 498 | I | 88.1 | Confident | 72.5 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 109.5 | -177.5 | -62.6 | -173.9 | 0 | 0 | 0 | 109.4 | K477 K479 V580 | K477-I498 HydrophobicContact CB-CB 4.29Å; K477-I498 HydrophobicContact CD-CD1 4.27Å; K477-I498 HydrophobicContact CG-CD1 4.49Å; K477-I498 WeakPolarHBondContact O-CB 3.43Å; K477-I498 PolarHBondContact O-N 2.91Å; K479-I498 HydrophobicContact CD-CD1 3.59Å; K479-I498 HydrophobicContact CG-CD1 3.75Å; I498-V580 HydrophobicContact CG2-CG1 3.26Å |
| 499 | E | 82.4 | Confident | 69.5 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 25% | 0.248 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.1 | 172.4 | -64.2 | -174.4 | 157.4 | 0 | 0 | 110.6 | L497 V580 K581 I583 | L497-E499 HydrophobicContact CD2-CG 3.5Å; E499-V580 WeakPolarHBondContact O-CA 3.44Å; E499-K581 HydrophobicContact CB-CB 4.38Å; E499-K581 PolarHBondContact N-O 3.28Å; E499-K581 PolarHBondContact O-N 2.93Å; E499-I583 HydrophobicContact CG-CD1 4.04Å; E499-I583 WeakPolarHBondContact OE1-CD1 3.39Å |
| 500 | K | 76.6 | Confident | 66.5 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.5 | 169.1 | -66.1 | 179 | -176.5 | 173.9 | 0 | 107.9 | K502 I578 | K500-K502 PolarHBondContact O-N 3.01Å; K500-I578 HydrophobicContact CB-CG2 3.99Å; K500-I578 HydrophobicContact CG-CG2 4.17Å |
| 501 | L | 68.2 | Low | 63.4 | Low | 91 Ų | 91 | 98.7 Ų | 98.7 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 120.5 | 169.4 | -67.9 | 164.7 | 0 | 0 | 0 | 107.6 | G503 K579 K581 | L501-G503 PolarHBondContact O-N 3.49Å; L501-K579 PolarHBondContact N-O 2.68Å; L501-K581 HydrophobicContact CD1-CB 4.26Å |
| 502 | K | 54.8 | Low | 60.2 | Low | 205 Ų | 205 | 102 Ų | 102 | 89% | 0.891 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 117 | 163.4 | -80.3 | -178.2 | 176.6 | 177 | 0 | 106.3 | K500 E504 | K500-K502 PolarHBondContact O-N 3.01Å; K502-E504 PolarHBondContact O-N 2.75Å |
| 503 | G | 46.2 | Very low | 57.1 | Low | 74 Ų | 74 | 110 Ų | 110 | 76% | 0.763 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | L501 A505 | L501-G503 PolarHBondContact O-N 3.49Å; G503-A505 PolarHBondContact O-N 3.44Å |
| 504 | E | 36.9 | Very low | 54.4 | Low | 179 Ų | 179 | 112.6 Ų | 112.6 | 84% | 0.836 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.8 | 161.6 | -72.6 | 176.5 | 158 | 0 | 0 | 107.3 | K502 E506 | K502-E504 PolarHBondContact O-N 2.75Å; E504-E506 PolarHBondContact O-N 2.95Å |
| 505 | A | 36.3 | Very low | 52.1 | Low | 101 Ų | 101 | 116 Ų | 116 | 84% | 0.835 | 62% | 0.622 | S | S | * | * | trans | -76.1 | 94.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | G503 D507 | G503-A505 PolarHBondContact O-N 3.44Å; A505-D507 PolarHBondContact O-N 3.19Å | ||
| 506 | E | 34.6 | Very low | 48.9 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | trans | -77.1 | 115 | 163.5 | -75.8 | -174.4 | 154.5 | 0 | 0 | 108.2 | E504 M508 | E504-E506 PolarHBondContact O-N 2.95Å; E506-M508 PolarHBondContact O-N 3.43Å; E506-M508 VanDerWaalsContact O-N 3.14Å | ||
| 507 | D | 35.6 | Very low | 45.8 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | trans | -57.7 | 107.9 | 165 | -87.9 | -32.2 | 0 | 0 | 0 | 108.8 | A505 | A505-D507 PolarHBondContact O-N 3.19Š| ||
| 508 | M | 30 | Very low | 42.8 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | trans | -105.1 | 111 | 162.5 | -77.4 | -168.3 | 71.3 | 0 | 0 | 109.2 | E506 | E506-M508 PolarHBondContact O-N 3.43Å; E506-M508 VanDerWaalsContact O-N 3.14Å | ||
| 509 | Q | 30.4 | Very low | 39.8 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -54.8 | 136.8 | 171.4 | -69.7 | 172 | -25.6 | 0 | 0 | 110.6 | E511 | Q509-E511 PolarHBondContact O-N 3.48Š| ||
| 510 | I | 33.8 | Very low | 37 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -76 | 108.7 | 169.7 | -62.2 | 168.6 | 0 | 0 | 0 | 106.8 | ||||
| 511 | E | 29.4 | Very low | 34.5 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -120.3 | 129 | 155.3 | -102 | -176.4 | 171.4 | 0 | 0 | 109.6 | Q509 | Q509-E511 PolarHBondContact O-N 3.48Š| ||
| 512 | S | 28.3 | Very low | 32.4 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -72.2 | 143.8 | -174.6 | 47.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 513 | E | 26.8 | Very low | 31.1 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | -171.3 | 153.3 | 120.7 | -104.2 | -175.7 | -178.4 | 0 | 0 | 112.6 | |||||
| 514 | P | 32.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | trans | -96.4 | -163.7 | 173.3 | 38.6 | -27.5 | 0 | 0 | 0 | 111 | ||||
| 515 | P | 45.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | -116.9 | 165.4 | -66.9 | 36.5 | -22.2 | 0 | 0 | 0 | 111.9 | |||||
| 516 | A | 27 | Very low | 29.1 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -164.4 | 129.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 517 | Q | 28.6 | Very low | 28.6 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -86.3 | 164 | 163.2 | -75 | 178.2 | -31.7 | 0 | 0 | 110.8 | ||||
| 518 | N | 26.2 | Very low | 28.1 | Very low | 149 Ų | 149 | 158.6 Ų | 158.6 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | 78.5 | 134.1 | 159.7 | -94.4 | 16.7 | 0 | 0 | 0 | 116.3 | ||||
| 519 | E | 25.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 159.2 Ų | 159.2 | 81% | 0.808 | 84% | 0.838 | S | S | * | * | cis | -149 | 148.4 | 19.8 | -65.6 | 179.1 | 142.8 | 0 | 0 | 110.1 | ||||
| 520 | G | 23.4 | Very low | 27.6 | Very low | 77 Ų | 77 | 156.1 Ų | 156.1 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | 80.8 | 122.5 | 110.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 521 | R | 24.6 | Very low | 27.2 | Very low | 246 Ų | 246 | 155.7 Ų | 155.7 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | -172.5 | 130.9 | 50.2 | -98.9 | 173.2 | 170.2 | 171.4 | -2.8 | 106.7 | |||||
| 522 | A | 24.3 | Very low | 26.9 | Very low | 89 Ų | 89 | 153.6 Ų | 153.6 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | 89.5 | 116.6 | 92.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 523 | E | 26 | Very low | 26.7 | Very low | 205 Ų | 205 | 157 Ų | 157 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | -152 | 120 | 133.9 | -111.4 | 175.8 | -161.4 | 0 | 0 | 109.1 | ||||
| 524 | E | 26.1 | Very low | 26.5 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -79.2 | 142.8 | -176.7 | -70.1 | 169.1 | 130.2 | 0 | 0 | 111.6 | ||||
| 525 | Q | 26 | Very low | 26 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -129.3 | 108.1 | 142.7 | -87.2 | -171.9 | -9.8 | 0 | 0 | 109.1 | ||||
| 526 | S | 25.5 | Very low | 25 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123 | -178.7 | -47.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 527 | K | 25.1 | Very low | 24.8 | Very low | 206 Ų | 206 | 159 Ų | 159 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 125 | 152.8 | -87.5 | 179.5 | 173.5 | 177.8 | 0 | 107.5 | ||
| 528 | M | 25.3 | Very low | 24.6 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 123.6 | 159.7 | -86.2 | -177.5 | 160.9 | 0 | 0 | 109.1 | ||
| 529 | Q | 24.1 | Very low | 24.4 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 150.2 | 158.2 | -106.7 | 179.2 | -14.5 | 0 | 0 | 107.8 | ||
| 530 | V | 25.1 | Very low | 24.4 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -140 | 103.6 | 152.7 | 175.3 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 531 | E | 24.4 | Very low | 25.2 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | 72.6 | 147.4 | 107.6 | -68.3 | 178.9 | 171.3 | 0 | 0 | 113.1 | |||||
| 532 | Q | 24.4 | Very low | 25.1 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | cis | -167.9 | 163.2 | -9.6 | -126.4 | -178.3 | -1.7 | 0 | 0 | 105.5 | ||||
| 533 | E | 22.8 | Very low | 25.1 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 70.6 | 131.1 | 146.9 | -70.8 | -179.3 | 171.8 | 0 | 0 | 122.3 | ||||
| 534 | G | 22.3 | Very low | 24.9 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 136 | 83.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 535 | Q | 23.3 | Very low | 24.7 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 67.8 | 127.9 | 134 | -68.6 | 178.3 | -10.4 | 0 | 0 | 123.6 | ||||
| 536 | H | 24.8 | Very low | 24.6 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 60.9 | 148.5 | 134.3 | -78 | 3.8 | 0 | 0 | 0 | 118.8 | ||||
| 537 | Q | 22.4 | Very low | 24.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -167.7 | 134.8 | 2.9 | -115.9 | 171 | 8.6 | 0 | 0 | 103.6 | ||||
| 538 | A | 23.8 | Very low | 24.5 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | 86.4 | 132.9 | 105.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 539 | E | 22.6 | Very low | 24.4 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | trans | 70.8 | 112.6 | 147.1 | -68.1 | 175.6 | 169.3 | 0 | 0 | 119.7 | ||||
| 540 | V | 26.5 | Very low | 24.5 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | 76.2 | 146 | 64.3 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 541 | P | 39.1 | Very low | 24.4 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | -138.3 | -161.7 | -54.6 | 41 | -20.3 | 0 | 0 | 0 | 110.2 | |||||
| 542 | S | 23 | Very low | 24.3 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 66.3 | 156.1 | 143.3 | 79.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 543 | E | 23.7 | Very low | 24.3 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | cis | -170.4 | 155.2 | 9.1 | -137.3 | 163.1 | -150.6 | 0 | 0 | 105.8 | ||||
| 544 | D | 22.8 | Very low | 24.2 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 63.4 | 151.8 | 137.6 | -82.9 | -3 | 0 | 0 | 0 | 120.7 | ||||
| 545 | S | 22.5 | Very low | 24.2 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 56% | 0.559 | 72% | 0.724 | S | S | * | * | cis | -172.6 | 146.7 | -6.3 | 46.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 546 | S | 22.9 | Very low | 24.4 | Very low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 64.4 | 159.4 | 132.2 | 88.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 547 | S | 24.1 | Very low | 24.3 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | cis | -164.6 | 147.4 | 13.8 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 548 | S | 24.6 | Very low | 24.3 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 70.8 | 153 | 132.2 | 83.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 549 | T | 23.8 | Very low | 24.2 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -171.4 | 158.6 | 2 | 9.5 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 550 | K | 25.3 | Very low | 24.2 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 74% | 0.735 | 73% | 0.734 | S | S | * | * | cis | -172.5 | 128.3 | 42.9 | -112 | 145.1 | -174.7 | -172.3 | 0 | 104.4 | ||||
| 551 | E | 22.6 | Very low | 24 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | 62.7 | 148.1 | 83.6 | -72 | -174.2 | 153 | 0 | 0 | 115.2 | |||||
| 552 | C | 22.8 | Very low | 23.3 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | cis | 172.4 | 154.4 | -23.9 | -155.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 553 | T | 23.8 | Very low | 23.3 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | 159.7 | 134.8 | 141.5 | 43.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 554 | S | 21.8 | Very low | 23.3 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -159.7 | 135.8 | 17.5 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 555 | A | 22.6 | Very low | 23.4 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 176.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 556 | V | 26.8 | Very low | 23.6 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | 175.5 | 139 | 77.5 | 175.5 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 557 | L | 22.8 | Very low | 23.7 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | -162.7 | 132.7 | 90.8 | -89.3 | 163.5 | 0 | 0 | 0 | 113.3 | |||||
| 558 | S | 22.8 | Very low | 23.7 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 171.1 | 178.5 | 40.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 559 | K | 22.3 | Very low | 23.8 | Very low | 209 Ų | 209 | 137 Ų | 137 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -154.6 | 140.7 | 131.9 | -115.8 | 179.4 | -174.7 | -174.6 | 0 | 113.8 | ||||
| 560 | E | 21.1 | Very low | 24.1 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -81.7 | 172.3 | -171.2 | -70.3 | 157 | 123.4 | 0 | 0 | 116.3 | ||||
| 561 | G | 22.9 | Very low | 24.2 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 152.2 | 88.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 562 | A | 23.9 | Very low | 24.5 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | 76.9 | 117 | 83 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 563 | A | 22.3 | Very low | 24.8 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | 58.7 | 110.9 | 146 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 564 | A | 25.4 | Very low | 25.4 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 37.8 | 120.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 565 | E | 24.5 | Very low | 26.3 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | -162.3 | 140 | 126.4 | -112.6 | 173.4 | -178.2 | 0 | 0 | 111.1 | |||||
| 566 | K | 25.9 | Very low | 27.2 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -78.1 | 134.3 | 178.3 | -79.3 | 174.1 | 171 | 176.1 | 0 | 110.2 | ||||
| 567 | Q | 24.6 | Very low | 28.1 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -172.3 | 137.1 | 133.9 | -105.2 | 163.2 | 21.4 | 0 | 0 | 113 | ||||
| 568 | D | 24.1 | Very low | 29.9 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 59.8 | 92 | 159.3 | -67.2 | -18 | 0 | 0 | 0 | 121.7 | ||||
| 569 | A | 28.4 | Very low | 31.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -91.6 | 102.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 570 | T | 28.7 | Very low | 34.5 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -132.7 | 104.8 | 158 | 52.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 571 | A | 28.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 176.6 | 69.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | G573 | A571-G573 PolarHBondContact O-N 2.9Å; A571-G573 VanDerWaalsContact O-N 3.12Å | ||
| 572 | G | 28.8 | Very low | 40.5 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -73 | 92.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | S574 | G572-S574 PolarHBondContact O-N 2.97Š| ||
| 573 | G | 27.5 | Very low | 43.7 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | -75.6 | 97.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A571 K575 | A571-G573 PolarHBondContact O-N 2.9Å; A571-G573 VanDerWaalsContact O-N 3.12Å; G573-K575 PolarHBondContact O-N 3.34Å; G573-K575 VanDerWaalsContact O-N 3.13Å | ||
| 574 | S | 38.3 | Very low | 47.1 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -64.2 | 111.8 | 167.7 | 65.4 | 0 | 0 | 0 | 0 | 108.7 | G572 | G572-S574 PolarHBondContact O-N 2.97Š| ||
| 575 | K | 38.9 | Very low | 50.3 | Low | 194 Ų | 194 | 123.3 Ų | 123.3 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -59.3 | 129.4 | 169.6 | -71.9 | -177.5 | -179.2 | 176.8 | 0 | 108.3 | G573 K577 | G573-K575 PolarHBondContact O-N 3.34Å; G573-K575 VanDerWaalsContact O-N 3.13Å; K575-K577 PolarHBondContact O-N 3.1Å | ||
| 576 | P | 41.8 | Very low | 53.6 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -59.6 | 134 | 179.7 | 22.2 | -30.9 | 0 | 0 | 0 | 109.9 | I578 | P576-I578 PolarHBondContact O-N 3.45Š| ||
| 577 | K | 46.6 | Very low | 56.9 | Low | 207 Ų | 207 | 109.2 Ų | 109.2 | 90% | 0.9 | 64% | 0.641 | S | S | * | * | trans | -65.2 | 97.6 | 171 | -83.2 | 178.9 | 177.5 | 173.9 | 0 | 108.1 | K575 K579 | K575-K577 PolarHBondContact O-N 3.1Å; K577-K579 PolarHBondContact O-N 3.04Å | ||
| 578 | I | 59.9 | Low | 60.1 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | trans | -60.2 | 120.1 | 173.2 | -58.6 | 174.9 | 0 | 0 | 0 | 107.8 | K500 P576 V580 | K500-I578 HydrophobicContact CB-CG2 3.99Å; K500-I578 HydrophobicContact CG-CG2 4.17Å; P576-I578 PolarHBondContact O-N 3.45Å; I578-V580 HydrophobicContact CG2-CG2 4.24Å; I578-V580 PolarHBondContact O-N 2.94Å | ||
| 579 | K | 65.4 | Low | 63.3 | Low | 172 Ų | 172 | 99.4 Ų | 99.4 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | trans | -70 | 124.1 | 168.8 | -75.3 | -178.4 | -179.9 | 174.6 | 0 | 108 | L501 K577 | L501-K579 PolarHBondContact N-O 2.68Å; K577-K579 PolarHBondContact O-N 3.04Å | ||
| 580 | V | 76.3 | Confident | 66.3 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.3 | -175.5 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | I498 E499 I578 | I498-V580 HydrophobicContact CG2-CG1 3.26Å; E499-V580 WeakPolarHBondContact O-CA 3.44Å; I578-V580 HydrophobicContact CG2-CG2 4.24Å; I578-V580 PolarHBondContact O-N 2.94Å |
| 581 | K | 83.9 | Confident | 69.2 | Low | 111 Ų | 111 | 95 Ų | 95 | 48% | 0.483 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.9 | 173.5 | -172.9 | -178.9 | 178 | -171.7 | 0 | 108.8 | E499 L501 | E499-K581 HydrophobicContact CB-CB 4.38Å; E499-K581 PolarHBondContact N-O 3.28Å; E499-K581 PolarHBondContact O-N 2.93Å; L501-K581 HydrophobicContact CD1-CB 4.26Å |
| 582 | S | 87.3 | Confident | 72 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.8 | 175.7 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | S496 L497 | S496-S582 WeakPolarHBondContact CB-OG 3.49Å; L497-S582 CarbonylContact O-C 3.56Å; L497-S582 WeakPolarHBondContact O-CA 3.4Å |
| 583 | I | 89.9 | Confident | 74.6 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | 178 | -58.7 | 175.3 | 0 | 0 | 0 | 107.8 | S496 L497 E499 | S496-I583 CarbonylContact C-O 3.6Å; S496-I583 VanDerWaalsContact CA-O 3.26Å; S496-I583 WeakPolarHBondContact CA-O 3.46Å; L497-I583 HydrophobicContact CB-CB 4.41Å; L497-I583 PolarHBondContact N-O 2.93Å; L497-I583 PolarHBondContact O-N 2.97Å; E499-I583 HydrophobicContact CG-CD1 4.04Å; E499-I583 WeakPolarHBondContact OE1-CD1 3.39Å |
| 584 | D | 93.2 | Very high | 77.6 | Confident | 129 Ų | 129 | 90.1 Ų | 90.1 | 69% | 0.69 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.2 | 177.1 | -67.8 | -27.9 | 0 | 0 | 0 | 110.7 | ||
| 585 | L | 93.2 | Very high | 80.2 | Confident | 14 Ų | 14 | 85.7 Ų | 85.7 | 7% | 0.073 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.2 | -176.8 | -61.4 | -178.8 | 0 | 0 | 0 | 110.1 | V464 N466 V467 V478 A495 L497 | V464-L585 HydrophobicContact CG1-CB 4.03Å; V464-L585 HydrophobicContact CG1-CD1 3.64Å; N466-L585 HydrophobicContact CB-CD2 4.44Å; N466-L585 WeakPolarHBondContact O-CD2 3.13Å; V467-L585 HydrophobicContact CG2-CD1 3.66Å; V478-L585 HydrophobicContact CG1-CD1 3.76Å; V478-L585 HydrophobicContact CG2-CD1 4.33Å; A495-L585 HydrophobicContact CB-CB 4.04Å; A495-L585 PolarHBondContact O-N 3.39Å; L497-L585 HydrophobicContact CB-CD1 4.07Å; L497-L585 HydrophobicContact CB-CD2 4.03Å; L497-L585 HydrophobicContact CB-CG 4.12Å; L497-L585 HydrophobicContact CD1-CD2 4.49Å |
| 586 | P | 94.1 | Very high | 82.7 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | trans | -62.8 | 142.7 | 172.8 | -18.9 | 31.3 | 0 | 0 | 0 | 111.5 | Q465 | Q465-P586 HydrophobicContact CB-CB 4.32Å; Q465-P586 PolarHBondContact N-O 3.25Å | ||
| 587 | I | 94.2 | Very high | 85.1 | Confident | 47 Ų | 47 | 79 Ų | 79 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.8 | 175.7 | -60.5 | 154.4 | 0 | 0 | 0 | 108 | F462 S463 V492 A495 | F462-I587 HydrophobicContact CB-CG2 4.26Å; F462-I587 HydrophobicContact CD1-CG2 4.49Å; S463-I587 WeakPolarHBondContact O-CA 3.42Å; V492-I587 HydrophobicContact CB-CD1 4.31Å; V492-I587 HydrophobicContact CB-CG2 4.29Å; V492-I587 HydrophobicContact CG1-CD1 3.62Å; V492-I587 HydrophobicContact CG1-CG1 4.38Å; V492-I587 HydrophobicContact CG1-CG2 4.44Å; A495-I587 HydrophobicContact CB-CD1 3.85Å; A495-I587 HydrophobicContact CB-CG1 3.9Å |
| 588 | V | 93.1 | Very high | 87.4 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.6 | 169.5 | 178 | 0 | 0 | 0 | 0 | 108.2 | F462 S463 Q465 | F462-V588 CarbonylContact C-O 3.59Å; F462-V588 WeakPolarHBondContact CA-O 3.35Å; S463-V588 PolarHBondContact N-O 3.18Å; S463-V588 PolarHBondContact O-N 2.9Å; Q465-V588 HydrophobicContact CG-CG2 4.46Å; Q465-V588 VanDerWaalsContact NE2-CG2 3.25Å |
| 589 | A | 92.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | F462 | F462-A589 HydrophobicContact CD1-CB 3.67Å; F462-A589 HydrophobicContact CE1-CB 3.77Å |
| 590 | N | 91 | Very high | 90.5 | Very high | 114 Ų | 114 | 65.7 Ų | 65.7 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 94.4 | 170 | -174.4 | 3.1 | 0 | 0 | 0 | 108.2 | G460 C461 | G460-N590 CarbonylContact C-O 3.59Å; G460-N590 WeakPolarHBondContact CA-O 3.4Å; C461-N590 HydrophobicContact CB-CB 4.49Å; C461-N590 PolarHBondContact N-O 2.73Å; C461-N590 PolarHBondContact O-N 3.23Å |
| 591 | N | 90 | Very high | 91.5 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143.3 | -176.2 | -55.6 | -55.4 | 0 | 0 | 0 | 110.4 | R154 R593 Q594 | R154-N591 PolarHBondContact NH1-ND2 2.95Å; R154-N591 VanDerWaalsContact NH1-ND2 3.15Å; R154-N591 PolarHBondContact NH2-OD1 3.04Å; N591-R593 PolarHBondContact O-N 3.41Å; N591-Q594 HydrophobicContact CB-CB 4.08Å; N591-Q594 PolarHBondContact ND2-OE1 3.28Å |
| 592 | I | 86.2 | Confident | 92.2 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.179 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 124 | 178.8 | -61.9 | -62.3 | 0 | 0 | 0 | 109.8 | R458 I459 Q594 | R458-I592 HydrophobicContact CB-CD1 4.36Å; R458-I592 HydrophobicContact CB-CG1 3.99Å; I459-I592 WeakPolarHBondContact O-CG1 3.23Å; I459-I592 PolarHBondContact O-N 3.33Å; I592-Q594 PolarHBondContact O-N 3.17Å |
| 593 | R | 84.6 | Confident | 92.7 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25.3 | 171.3 | -60.4 | 175.5 | -169.9 | -65.7 | -11 | 115.3 | G72 A74 N591 | G72-R593 WeakPolarHBondContact O-CD 3.32Å; A74-R593 VanDerWaalsContact CA-NH1 3.26Å; N591-R593 PolarHBondContact O-N 3.41Å |
| 594 | Q | 90.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 146.5 | 166.5 | -169.5 | 172 | 9 | 0 | 0 | 109.7 | R154 N591 I592 | R154-Q594 HydrophobicContact CB-CG 4.35Å; N591-Q594 HydrophobicContact CB-CB 4.08Å; N591-Q594 PolarHBondContact ND2-OE1 3.28Å; I592-Q594 PolarHBondContact O-N 3.17Å |
| 595 | L | 92 | Very high | 93.3 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.8 | 172 | -64 | 178.8 | 0 | 0 | 0 | 110.7 | E115 D158 V599 L600 F603 | E115-L595 HydrophobicContact CB-CD1 4Å; E115-L595 HydrophobicContact CG-CD1 4Å; E115-L595 HydrophobicContact CG-CG 4.47Å; D158-L595 HydrophobicContact CB-CD1 4.19Å; D158-L595 PolarHBondContact OD2-N 3.09Å; L595-V599 HydrophobicContact CD2-CG1 4.41Å; L595-L600 HydrophobicContact CD1-CD1 4.28Å; L595-F603 HydrophobicContact CD1-CD2 3.74Å; L595-F603 HydrophobicContact CD1-CE2 3.8Å; L595-F603 HydrophobicContact CD2-CE2 4.14Å |
| 596 | D | 91.9 | Very high | 93.5 | Very high | 119 Ų | 119 | 62 Ų | 62 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 150 | 170.9 | -64.7 | -44.9 | 0 | 0 | 0 | 110.5 | D598 V599 L600 | D596-D598 VanDerWaalsContact C-N 3.3Å; D596-D598 PolarHBondContact O-N 2.92Å; D596-V599 HydrophobicContact CB-CB 4.46Å; D596-V599 HydrophobicContact CB-CG2 4.16Å; D596-V599 PolarHBondContact O-N 3.42Å; D596-V599 VanDerWaalsContact O-N 3.14Å; D596-L600 WeakPolarHBondContact O-CB 3.42Å; D596-L600 PolarHBondContact O-N 3.14Å |
| 597 | G | 92.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -38.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L600 T601 | G597-L600 PolarHBondContact O-N 3.26Å; G597-T601 PolarHBondContact O-N 3.42Å; G597-T601 PolarHBondContact O-OG1 3.39Å |
| 598 | D | 94.7 | Very high | 93.9 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 70% | 0.695 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69 | -41.6 | 178.4 | -62.4 | -24.7 | 0 | 0 | 0 | 111.4 | D596 L600 T601 N602 | D596-D598 VanDerWaalsContact C-N 3.3Å; D596-D598 PolarHBondContact O-N 2.92Å; D598-L600 VanDerWaalsContact C-N 3.34Å; D598-T601 PolarHBondContact O-N 3.35Å; D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3.01Å; D598-N602 PolarHBondContact O-ND2 3.28Å |
| 599 | V | 95.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | L595 D596 T601 N602 F603 | L595-V599 HydrophobicContact CD2-CG1 4.41Å; D596-V599 HydrophobicContact CB-CB 4.46Å; D596-V599 HydrophobicContact CB-CG2 4.16Å; D596-V599 PolarHBondContact O-N 3.42Å; D596-V599 VanDerWaalsContact O-N 3.14Å; V599-T601 PolarHBondContact O-N 3.25Å; V599-N602 PolarHBondContact O-N 2.65Å; V599-F603 HydrophobicContact CG1-CD2 4.17Å; V599-F603 HydrophobicContact CG1-CE1 4.09Å; V599-F603 HydrophobicContact CG1-CE2 3.65Å; V599-F603 HydrophobicContact CG1-CZ 3.61Å; V599-F603 WeakPolarHBondContact O-CG 3.43Å; V599-F603 PolarHBondContact O-N 2.96Å |
| 600 | L | 95.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.1 | -176.6 | 60.1 | 0 | 0 | 0 | 111.5 | D158 Q161 I162 L595 D596 G597 D598 N602 F603 V604 | D158-L600 HydrophobicContact CB-CD1 4.06Å; Q161-L600 HydrophobicContact CB-CD1 4.34Å; Q161-L600 HydrophobicContact CB-CD2 4.2Å; Q161-L600 VanDerWaalsContact OE1-CD2 3.31Å; I162-L600 HydrophobicContact CD1-CD1 4.14Å; I162-L600 HydrophobicContact CG1-CD1 3.68Å; L595-L600 HydrophobicContact CD1-CD1 4.28Å; D596-L600 WeakPolarHBondContact O-CB 3.42Å; D596-L600 PolarHBondContact O-N 3.14Å; G597-L600 PolarHBondContact O-N 3.26Å; D598-L600 VanDerWaalsContact C-N 3.34Å; L600-N602 PolarHBondContact O-N 3.24Å; L600-F603 PolarHBondContact O-N 3.44Å; L600-F603 VanDerWaalsContact O-N 3.15Å; L600-V604 WeakPolarHBondContact O-CG2 3.27Å; L600-V604 PolarHBondContact O-N 2.91Å |
| 601 | T | 97.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 62 Ų | 62 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | G597 D598 V599 F603 V604 E605 | G597-T601 PolarHBondContact O-N 3.42Å; G597-T601 PolarHBondContact O-OG1 3.39Å; D598-T601 PolarHBondContact O-N 3.35Å; V599-T601 PolarHBondContact O-N 3.25Å; T601-F603 VanDerWaalsContact C-N 3.29Å; T601-F603 PolarHBondContact O-N 3.39Å; T601-V604 WeakPolarHBondContact O-CB 3.44Å; T601-V604 PolarHBondContact O-N 2.94Å; T601-E605 PolarHBondContact O-N 3.34Å |
| 602 | N | 97.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 64.7 Ų | 64.7 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 174.8 | -68.1 | -25.7 | 0 | 0 | 0 | 112.2 | D598 V599 L600 E605 Y606 | D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3.01Å; D598-N602 PolarHBondContact O-ND2 3.28Å; V599-N602 PolarHBondContact O-N 2.65Å; L600-N602 PolarHBondContact O-N 3.24Å; N602-E605 PolarHBondContact O-N 3.05Å; N602-Y606 WeakPolarHBondContact O-CB 3.25Å; N602-Y606 PolarHBondContact O-N 3.23Å |
| 603 | F | 98.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 176.6 | -69.1 | -11.7 | 0 | 0 | 0 | 113.1 | T113 Q116 I162 L595 V599 L600 T601 Y606 E607 | T113-F603 HydrophobicContact CG2-CE2 3.76Å; T113-F603 HydrophobicContact CG2-CZ 3.84Å; Q116-F603 HydrophobicContact CG-CB 4.23Å; Q116-F603 HydrophobicContact CG-CD1 4.27Å; Q116-F603 HydrophobicContact CG-CD2 3.79Å; Q116-F603 HydrophobicContact CG-CE2 4.15Å; Q116-F603 HydrophobicContact CG-CG 3.85Å; Q116-F603 VanDerWaalsContact NE2-CD1 3.28Å; I162-F603 HydrophobicContact CD1-CB 3.95Å; I162-F603 HydrophobicContact CD1-CD2 4.08Å; I162-F603 HydrophobicContact CG1-CB 3.93Å; L595-F603 HydrophobicContact CD1-CD2 3.74Å; L595-F603 HydrophobicContact CD1-CE2 3.8Å; L595-F603 HydrophobicContact CD2-CE2 4.14Å; V599-F603 HydrophobicContact CG1-CD2 4.17Å; V599-F603 HydrophobicContact CG1-CE1 4.09Å; V599-F603 HydrophobicContact CG1-CE2 3.65Å; V599-F603 HydrophobicContact CG1-CZ 3.61Å; V599-F603 WeakPolarHBondContact O-CG 3.43Å; V599-F603 PolarHBondContact O-N 2.96Å; L600-F603 PolarHBondContact O-N 3.44Å; L600-F603 VanDerWaalsContact O-N 3.15Å; T601-F603 VanDerWaalsContact C-N 3.29Å; T601-F603 PolarHBondContact O-N 3.39Å; F603-Y606 PolarHBondContact O-N 3.29Å; F603-E607 WeakPolarHBondContact O-CB 3.45Å; F603-E607 PolarHBondContact O-N 3.45Å |
| 604 | V | 98.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | Q161 L600 T601 E607 R608 | Q161-V604 WeakPolarHBondContact O-CG2 3.46Å; L600-V604 WeakPolarHBondContact O-CG2 3.27Å; L600-V604 PolarHBondContact O-N 2.91Å; T601-V604 WeakPolarHBondContact O-CB 3.44Å; T601-V604 PolarHBondContact O-N 2.94Å; V604-E607 PolarHBondContact O-N 2.72Å; V604-R608 WeakPolarHBondContact O-CG 3.33Å; V604-R608 PolarHBondContact O-N 2.84Å; V604-R608 VanDerWaalsContact O-N 3.08Å |
| 605 | E | 97.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 67.7 Ų | 67.7 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.4 | -70 | -175.9 | 177.1 | 0 | 0 | 112 | T601 N602 R608 Q609 | T601-E605 PolarHBondContact O-N 3.34Å; N602-E605 PolarHBondContact O-N 3.05Å; E605-R608 WeakPolarHBondContact O-CB 3.23Å; E605-R608 PolarHBondContact O-N 3.42Å; E605-Q609 WeakPolarHBondContact O-CG 3.29Å; E605-Q609 PolarHBondContact O-N 3.41Å |
| 606 | Y | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 71.6 Ų | 71.6 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 177.8 | -169.3 | -125.8 | 0 | 0 | 0 | 112.4 | K110 F112 N602 F603 R608 Q609 M610 | K110-Y606 WeakPolarHBondContact CD-OH 3.5Å; K110-Y606 PolarHBondContact NZ-OH 2.81Å; K110-Y606 VanDerWaalsContact NZ-OH 3.12Å; F112-Y606 HydrophobicContact CE1-CD1 4.44Å; F112-Y606 AromaticContact CE1-CE1 3.63Å; F112-Y606 HydrophobicContact CE1-CE1 3.63Å; F112-Y606 HydrophobicContact CZ-CE1 4.26Å; N602-Y606 WeakPolarHBondContact O-CB 3.25Å; N602-Y606 PolarHBondContact O-N 3.23Å; F603-Y606 PolarHBondContact O-N 3.29Å; Y606-R608 VanDerWaalsContact C-N 3.34Å; Y606-R608 PolarHBondContact O-N 2.89Å; Y606-Q609 WeakPolarHBondContact O-CB 3.42Å; Y606-Q609 PolarHBondContact O-N 2.85Å; Y606-M610 HydrophobicContact CD1-CE 3.62Å; Y606-M610 HydrophobicContact CD1-SD 4.33Å; Y606-M610 HydrophobicContact CE1-CE 3.85Å; Y606-M610 HydrophobicContact CE1-SD 3.97Å; Y606-M610 HydrophobicContact CG-CE 4.28Å; Y606-M610 WeakPolarHBondContact O-CG 3.47Å; Y606-M610 PolarHBondContact O-N 3.26Å |
| 607 | E | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 172.1 | -179.7 | 62.7 | -167.4 | 0 | 0 | 111.3 | R46 T123 I162 F603 V604 Q609 M610 I611 | R46-E607 IonicContact CZ-OE1 3.01Å; R46-E607 IonicContact CZ-OE2 2.71Å; R46-E607 IonicContact NH1-OE1 3.91Å; R46-E607 PolarHBondContact NH1-OE1 3.01Å; R46-E607 IonicContact NH1-OE2 3.09Å; R46-E607 PolarHBondContact NH1-OE2 3.4Å; R46-E607 IonicContact NH2-OE1 3.59Å; R46-E607 PolarHBondContact NH2-OE1 3.01Å; R46-E607 IonicContact NH2-OE2 3.81Å; T123-E607 WeakPolarHBondContact CB-OE1 3.45Å; T123-E607 PolarHBondContact OG1-OE1 3.34Å; I162-E607 HydrophobicContact CG2-CB 3.8Å; I162-E607 HydrophobicContact CG2-CG 4.1Å; F603-E607 WeakPolarHBondContact O-CB 3.45Å; F603-E607 PolarHBondContact O-N 3.45Å; V604-E607 PolarHBondContact O-N 2.72Å; E607-Q609 VanDerWaalsContact C-N 3.33Å; E607-Q609 PolarHBondContact O-N 3.12Å; E607-M610 PolarHBondContact O-N 3.09Å; E607-M610 VanDerWaalsContact OE2-CE 3.29Å; E607-M610 WeakPolarHBondContact OE2-CE 3.44Å; E607-I611 HydrophobicContact CG-CD1 4.02Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.37Å; E607-I611 PolarHBondContact O-N 3.21Å |
| 608 | R | 97.5 | Very high | 96.4 | Very high | 160 Ų | 160 | 70.5 Ų | 70.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 174.5 | -71.1 | 176.5 | -179.9 | 175 | 1.6 | 112.5 | V604 E605 Y606 I611 C612 | V604-R608 WeakPolarHBondContact O-CG 3.33Å; V604-R608 PolarHBondContact O-N 2.84Å; V604-R608 VanDerWaalsContact O-N 3.08Å; E605-R608 WeakPolarHBondContact O-CB 3.23Å; E605-R608 PolarHBondContact O-N 3.42Å; Y606-R608 VanDerWaalsContact C-N 3.34Å; Y606-R608 PolarHBondContact O-N 2.89Å; R608-I611 PolarHBondContact O-N 3.41Å; R608-C612 PolarHBondContact O-N 2.89Å; R608-C612 PolarHBondContact O-SG 2.91Å; R608-C612 VanDerWaalsContact O-SG 3.38Å |
| 609 | Q | 97.4 | Very high | 96.3 | Very high | 122 Ų | 122 | 67.6 Ų | 67.6 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 175.5 | -68.9 | 172.9 | 4.7 | 0 | 0 | 111.5 | E605 Y606 E607 C612 Q613 | E605-Q609 WeakPolarHBondContact O-CG 3.29Å; E605-Q609 PolarHBondContact O-N 3.41Å; Y606-Q609 WeakPolarHBondContact O-CB 3.42Å; Y606-Q609 PolarHBondContact O-N 2.85Å; E607-Q609 VanDerWaalsContact C-N 3.33Å; E607-Q609 PolarHBondContact O-N 3.12Å; Q609-C612 PolarHBondContact O-N 3.42Å; Q609-Q613 PolarHBondContact O-N 3.19Å |
| 610 | M | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.1 | -71.8 | -174 | -72.6 | 0 | 0 | 112.2 | R46 Y105 F112 M120 Y606 E607 C612 Q613 D614 | R46-M610 PolarHBondContact NH1-SD 3.08Å; Y105-M610 HydrophobicContact CE1-CG 4.08Å; Y105-M610 HydrophobicContact CE1-SD 4Å; F112-M610 HydrophobicContact CE1-CE 4.2Å; F112-M610 HydrophobicContact CE1-SD 3.91Å; F112-M610 HydrophobicContact CZ-SD 4.25Å; M120-M610 HydrophobicContact CE-CE 3.81Å; M120-M610 HydrophobicContact CE-SD 3.89Å; Y606-M610 HydrophobicContact CD1-CE 3.62Å; Y606-M610 HydrophobicContact CD1-SD 4.33Å; Y606-M610 HydrophobicContact CE1-CE 3.85Å; Y606-M610 HydrophobicContact CE1-SD 3.97Å; Y606-M610 HydrophobicContact CG-CE 4.28Å; Y606-M610 WeakPolarHBondContact O-CG 3.47Å; Y606-M610 PolarHBondContact O-N 3.26Å; E607-M610 PolarHBondContact O-N 3.09Å; E607-M610 VanDerWaalsContact OE2-CE 3.29Å; E607-M610 WeakPolarHBondContact OE2-CE 3.44Å; M610-C612 PolarHBondContact O-N 3.49Å; M610-Q613 WeakPolarHBondContact O-CB 3.38Å; M610-Q613 PolarHBondContact O-N 3.21Å; M610-D614 VanDerWaalsContact O-CG 3.26Å; M610-D614 PolarHBondContact O-N 2.97Å |
| 611 | I | 97.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 69.9 Ų | 69.9 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 174.6 | -67.4 | 163.5 | 0 | 0 | 0 | 111.1 | T123 E607 R608 Q613 D614 K615 | T123-I611 HydrophobicContact CG2-CD1 3.53Å; T123-I611 HydrophobicContact CG2-CG1 3.74Å; E607-I611 HydrophobicContact CG-CD1 4.02Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.37Å; E607-I611 PolarHBondContact O-N 3.21Å; R608-I611 PolarHBondContact O-N 3.41Å; I611-Q613 VanDerWaalsContact C-N 3.32Å; I611-Q613 PolarHBondContact O-N 3.43Å; I611-D614 PolarHBondContact O-N 3.15Å; I611-K615 WeakPolarHBondContact O-CB 3.43Å; I611-K615 PolarHBondContact O-N 3.41Å |
| 612 | C | 96.4 | Very high | 96 | Very high | 86 Ų | 86 | 70.2 Ų | 70.2 | 58% | 0.581 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 176.7 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | R608 Q609 M610 K615 L616 | R608-C612 PolarHBondContact O-N 2.89Å; R608-C612 PolarHBondContact O-SG 2.91Å; R608-C612 VanDerWaalsContact O-SG 3.38Å; Q609-C612 PolarHBondContact O-N 3.42Å; M610-C612 PolarHBondContact O-N 3.49Å; C612-K615 PolarHBondContact O-N 3.27Å; C612-L616 WeakPolarHBondContact O-CB 3.43Å; C612-L616 PolarHBondContact O-N 2.62Å |
| 613 | Q | 95.8 | Very high | 95.9 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 175.4 | -179.6 | 60.7 | 24.1 | 0 | 0 | 111.6 | K44 Q609 M610 I611 K615 L616 V617 | K44-Q613 PolarHBondContact O-NE2 2.94Å; Q609-Q613 PolarHBondContact O-N 3.19Å; M610-Q613 WeakPolarHBondContact O-CB 3.38Å; M610-Q613 PolarHBondContact O-N 3.21Å; I611-Q613 VanDerWaalsContact C-N 3.32Å; I611-Q613 PolarHBondContact O-N 3.43Å; Q613-K615 VanDerWaalsContact C-N 3.29Å; Q613-K615 PolarHBondContact O-N 3.31Å; Q613-L616 PolarHBondContact O-N 3Å; Q613-V617 WeakPolarHBondContact O-CG2 3.44Å; Q613-V617 PolarHBondContact O-N 3.44Å |
| 614 | D | 95.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 177.3 | -69.1 | -19.6 | 0 | 0 | 0 | 111 | N45 R46 M610 I611 K618 | N45-D614 WeakPolarHBondContact CB-OD1 3.38Å; R46-D614 WeakPolarHBondContact CG-OD1 3.4Å; R46-D614 IonicContact CZ-OD2 3.47Å; R46-D614 PolarHBondContact N-OD1 3.34Å; R46-D614 IonicContact NE-OD2 2.96Å; R46-D614 PolarHBondContact NE-OD2 3.03Å; R46-D614 VanDerWaalsContact NE-OD2 3.09Å; M610-D614 VanDerWaalsContact O-CG 3.26Å; M610-D614 PolarHBondContact O-N 2.97Å; I611-D614 PolarHBondContact O-N 3.15Å; D614-K618 WeakPolarHBondContact O-CB 3.37Å; D614-K618 PolarHBondContact O-N 3.36Å |
| 615 | K | 94.8 | Very high | 95.7 | Very high | 128 Ų | 128 | 69.1 Ų | 69.1 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 177 | -174.7 | 176.9 | 174.6 | -174.8 | 0 | 112.5 | I611 C612 Q613 V617 K618 E619 | I611-K615 WeakPolarHBondContact O-CB 3.43Å; I611-K615 PolarHBondContact O-N 3.41Å; C612-K615 PolarHBondContact O-N 3.27Å; Q613-K615 VanDerWaalsContact C-N 3.29Å; Q613-K615 PolarHBondContact O-N 3.31Å; K615-V617 VanDerWaalsContact C-N 3.35Å; K615-V617 PolarHBondContact O-N 3.01Å; K615-K618 PolarHBondContact O-N 2.86Å; K615-E619 WeakPolarHBondContact CE-OE1 3.1Å; K615-E619 HydrophobicContact CG-CG 4.46Å; K615-E619 IonicContact NZ-OE1 3.18Å; K615-E619 WeakPolarHBondContact O-CG 3.33Å; K615-E619 PolarHBondContact O-N 2.85Å |
| 616 | L | 94.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.4 | -177.5 | 143.9 | 0 | 0 | 0 | 111.4 | C612 Q613 K618 E619 L620 | C612-L616 WeakPolarHBondContact O-CB 3.43Å; C612-L616 PolarHBondContact O-N 2.62Å; Q613-L616 PolarHBondContact O-N 3Å; L616-K618 VanDerWaalsContact C-N 3.33Å; L616-E619 PolarHBondContact O-N 2.97Å; L616-L620 WeakPolarHBondContact O-CB 3.43Å; L616-L620 PolarHBondContact O-N 3.37Å |
| 617 | V | 93.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | K44 N45 Q613 K615 L620 N621 | K44-V617 HydrophobicContact CB-CG1 4.49Å; K44-V617 HydrophobicContact CB-CG2 4.32Å; N45-V617 HydrophobicContact CB-CB 4.04Å; N45-V617 HydrophobicContact CB-CG1 4.05Å; N45-V617 HydrophobicContact CB-CG2 4.09Å; Q613-V617 WeakPolarHBondContact O-CG2 3.44Å; Q613-V617 PolarHBondContact O-N 3.44Å; K615-V617 VanDerWaalsContact C-N 3.35Å; K615-V617 PolarHBondContact O-N 3.01Å; V617-L620 WeakPolarHBondContact O-CB 3.39Å; V617-L620 PolarHBondContact O-N 2.84Å; V617-N621 PolarHBondContact O-N 2.93Å; V617-N621 VanDerWaalsContact O-N 3.09Å; V617-N621 PolarHBondContact O-ND2 3.48Å |
| 618 | K | 93.1 | Very high | 95.3 | Very high | 134 Ų | 134 | 65.7 Ų | 65.7 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.2 | -50.3 | 174.5 | -175.1 | -177.6 | 175.1 | -175.7 | 0 | 111.9 | D614 K615 L616 L620 N621 D622 | D614-K618 WeakPolarHBondContact O-CB 3.37Å; D614-K618 PolarHBondContact O-N 3.36Å; K615-K618 PolarHBondContact O-N 2.86Å; L616-K618 VanDerWaalsContact C-N 3.33Å; K618-L620 PolarHBondContact O-N 3.41Å; K618-N621 PolarHBondContact O-N 3.27Å; K618-N621 VanDerWaalsContact O-N 3.15Å; K618-D622 WeakPolarHBondContact O-CB 3.49Å; K618-D622 VanDerWaalsContact O-CG 3.29Å; K618-D622 PolarHBondContact O-N 3.18Å |
| 619 | E | 93.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 65 Ų | 65 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 179 | -72.9 | -176.5 | -166.5 | 0 | 0 | 112.5 | K615 L616 A623 K674 | K615-E619 WeakPolarHBondContact CE-OE1 3.1Å; K615-E619 HydrophobicContact CG-CG 4.46Å; K615-E619 IonicContact NZ-OE1 3.18Å; K615-E619 WeakPolarHBondContact O-CG 3.33Å; K615-E619 PolarHBondContact O-N 2.85Å; L616-E619 PolarHBondContact O-N 2.97Å; E619-A623 WeakPolarHBondContact O-CB 3.33Å; E619-A623 PolarHBondContact O-N 2.69Å; E619-K674 HydrophobicContact CB-CD 4.31Å; E619-K674 IonicContact OE2-NZ 2.85Å; E619-K674 PolarHBondContact OE2-NZ 3.41Å |
| 620 | L | 94.1 | Very high | 95.2 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 173.2 | -171.8 | 70.1 | 0 | 0 | 0 | 111.6 | L616 V617 K618 A623 K624 Q672 K674 Y677 | L616-L620 WeakPolarHBondContact O-CB 3.43Å; L616-L620 PolarHBondContact O-N 3.37Å; V617-L620 WeakPolarHBondContact O-CB 3.39Å; V617-L620 PolarHBondContact O-N 2.84Å; K618-L620 PolarHBondContact O-N 3.41Å; L620-A623 PolarHBondContact O-N 3.13Å; L620-K624 PolarHBondContact O-N 3.24Å; L620-Q672 VanDerWaalsContact CD1-O 3.31Å; L620-Q672 WeakPolarHBondContact CD1-O 3.47Å; L620-K674 HydrophobicContact CD1-CB 3.87Å; L620-Y677 HydrophobicContact CD1-CD2 4.25Å; L620-Y677 HydrophobicContact CD1-CE2 3.97Å; L620-Y677 HydrophobicContact CG-CE2 4.34Å |
| 621 | N | 93.2 | Very high | 95.1 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.8 | -68.8 | -26.8 | 0 | 0 | 0 | 111.5 | V617 K618 A623 K624 N625 | V617-N621 PolarHBondContact O-N 2.93Å; V617-N621 VanDerWaalsContact O-N 3.09Å; V617-N621 PolarHBondContact O-ND2 3.48Å; K618-N621 PolarHBondContact O-N 3.27Å; K618-N621 VanDerWaalsContact O-N 3.15Å; N621-A623 VanDerWaalsContact C-N 3.32Å; N621-A623 PolarHBondContact O-N 3.48Å; N621-K624 PolarHBondContact O-N 3.48Å; N621-N625 WeakPolarHBondContact O-CB 3.24Å; N621-N625 PolarHBondContact O-N 3.35Å; N621-N625 PolarHBondContact O-ND2 3.32Å; N621-N625 PolarHBondContact O-OD1 3.38Å |
| 622 | D | 94.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.5 | -69.1 | -15.2 | 0 | 0 | 0 | 110.9 | K618 A626 | K618-D622 WeakPolarHBondContact O-CB 3.49Å; K618-D622 VanDerWaalsContact O-CG 3.29Å; K618-D622 PolarHBondContact O-N 3.18Å; D622-A626 WeakPolarHBondContact O-CB 3.32Å; D622-A626 PolarHBondContact O-N 3.12Å |
| 623 | A | 95.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E619 L620 N621 A626 V627 K674 Y677 | E619-A623 WeakPolarHBondContact O-CB 3.33Å; E619-A623 PolarHBondContact O-N 2.69Å; L620-A623 PolarHBondContact O-N 3.13Å; N621-A623 VanDerWaalsContact C-N 3.32Å; N621-A623 PolarHBondContact O-N 3.48Å; A623-A626 PolarHBondContact O-N 2.59Å; A623-V627 WeakPolarHBondContact O-CG2 3.27Å; A623-V627 PolarHBondContact O-N 3.16Å; A623-K674 HydrophobicContact CB-CG 4Å; A623-Y677 HydrophobicContact CB-CD2 4.43Å |
| 624 | K | 95.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 19% | 0.191 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 174.1 | -177.7 | 179.4 | -178 | 170.7 | 0 | 111.3 | L620 N621 A626 V627 E628 L665 E670 Y677 | L620-K624 PolarHBondContact O-N 3.24Å; N621-K624 PolarHBondContact O-N 3.48Å; K624-A626 VanDerWaalsContact C-N 3.26Å; K624-A626 PolarHBondContact O-N 3.15Å; K624-V627 WeakPolarHBondContact O-CB 3.47Å; K624-V627 PolarHBondContact O-N 3.38Å; K624-V627 VanDerWaalsContact O-N 3.09Å; K624-E628 PolarHBondContact O-N 2.92Å; K624-E628 VanDerWaalsContact O-N 3.09Å; K624-L665 HydrophobicContact CG-CD2 4.11Å; K624-E670 PolarHBondContact NZ-O 3.23Å; K624-Y677 HydrophobicContact CB-CD1 4.21Å; K624-Y677 HydrophobicContact CB-CD2 4.25Å; K624-Y677 HydrophobicContact CB-CE1 3.97Å; K624-Y677 HydrophobicContact CB-CE2 3.99Å; K624-Y677 HydrophobicContact CB-CG 4.36Å; K624-Y677 HydrophobicContact CD-CE1 4.33Å; K624-Y677 HydrophobicContact CG-CD1 4.37Å; K624-Y677 HydrophobicContact CG-CE1 3.82Å |
| 625 | N | 95.2 | Very high | 94.6 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 178.8 | -68.9 | -10.1 | 0 | 0 | 0 | 111.8 | N621 V627 E628 E629 | N621-N625 WeakPolarHBondContact O-CB 3.24Å; N621-N625 PolarHBondContact O-N 3.35Å; N621-N625 PolarHBondContact O-ND2 3.32Å; N621-N625 PolarHBondContact O-OD1 3.38Å; N625-V627 VanDerWaalsContact C-N 3.32Å; N625-V627 PolarHBondContact O-N 3.49Å; N625-E628 PolarHBondContact O-N 3.47Å; N625-E629 VanDerWaalsContact O-CB 3.31Å; N625-E629 WeakPolarHBondContact O-CB 3.47Å; N625-E629 PolarHBondContact O-N 3.28Å |
| 626 | A | 96.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D622 A623 K624 Y630 L681 | D622-A626 WeakPolarHBondContact O-CB 3.32Å; D622-A626 PolarHBondContact O-N 3.12Å; A623-A626 PolarHBondContact O-N 2.59Å; K624-A626 VanDerWaalsContact C-N 3.26Å; K624-A626 PolarHBondContact O-N 3.15Å; A626-Y630 VanDerWaalsContact O-CB 3.25Å; A626-Y630 WeakPolarHBondContact O-CB 3.48Å; A626-Y630 PolarHBondContact O-N 3.3Å; A626-L681 HydrophobicContact CB-CD2 4.22Å |
| 627 | V | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -49.7 | 171.8 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | A623 K624 N625 Y630 V631 T661 L665 Y677 L681 | A623-V627 WeakPolarHBondContact O-CG2 3.27Å; A623-V627 PolarHBondContact O-N 3.16Å; K624-V627 WeakPolarHBondContact O-CB 3.47Å; K624-V627 PolarHBondContact O-N 3.38Å; K624-V627 VanDerWaalsContact O-N 3.09Å; N625-V627 VanDerWaalsContact C-N 3.32Å; N625-V627 PolarHBondContact O-N 3.49Å; V627-Y630 PolarHBondContact O-N 3.32Å; V627-V631 HydrophobicContact CG1-CG2 4.37Å; V627-V631 VanDerWaalsContact O-CG2 3.29Å; V627-V631 WeakPolarHBondContact O-CG2 3.39Å; V627-V631 PolarHBondContact O-N 3.28Å; V627-T661 HydrophobicContact CG1-CG2 3.78Å; V627-L665 HydrophobicContact CB-CD1 4.41Å; V627-L665 HydrophobicContact CB-CD2 4.42Å; V627-L665 HydrophobicContact CG1-CD1 4.13Å; V627-L665 HydrophobicContact CG1-CD2 4.47Å; V627-Y677 HydrophobicContact CG2-CD1 4.3Å; V627-Y677 WeakPolarHBondContact CG2-O 3.47Å; V627-L681 HydrophobicContact CG2-CB 4.15Å |
| 628 | E | 94.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | -178.4 | -174.7 | 171.9 | -161.4 | 0 | 0 | 111.8 | K624 N625 Y630 V631 Y632 L665 Y666 | K624-E628 PolarHBondContact O-N 2.92Å; K624-E628 VanDerWaalsContact O-N 3.09Å; N625-E628 PolarHBondContact O-N 3.47Å; E628-Y630 PolarHBondContact O-N 3Å; E628-V631 PolarHBondContact O-N 3.36Å; E628-Y632 HydrophobicContact CG-CD2 3.81Å; E628-Y632 HydrophobicContact CG-CE2 3.43Å; E628-Y632 VanDerWaalsContact CG-CE2 3.43Å; E628-Y632 WeakPolarHBondContact O-CD2 3.35Å; E628-Y632 PolarHBondContact O-N 3.31Å; E628-Y632 VanDerWaalsContact O-N 3.08Å; E628-L665 HydrophobicContact CB-CD1 4.09Å; E628-Y666 PolarHBondContact OE1-OH 3.01Å |
| 629 | E | 96.4 | Very high | 94 | Very high | 144 Ų | 144 | 56.5 Ų | 56.5 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 176.7 | -175.9 | -178.9 | 175.9 | 0 | 0 | 111.6 | N625 V631 Y632 D633 | N625-E629 VanDerWaalsContact O-CB 3.31Å; N625-E629 WeakPolarHBondContact O-CB 3.47Å; N625-E629 PolarHBondContact O-N 3.28Å; E629-V631 VanDerWaalsContact C-N 3.31Å; E629-V631 PolarHBondContact O-N 3.12Å; E629-Y632 PolarHBondContact O-N 2.94Å; E629-D633 VanDerWaalsContact O-CB 3.25Å; E629-D633 WeakPolarHBondContact O-CB 3.42Å; E629-D633 PolarHBondContact O-N 3.45Å |
| 630 | Y | 96.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 179 | -173.1 | -95.3 | 0 | 0 | 0 | 112.2 | A626 V627 E628 L634 L681 L684 K685 G688 | A626-Y630 VanDerWaalsContact O-CB 3.25Å; A626-Y630 WeakPolarHBondContact O-CB 3.48Å; A626-Y630 PolarHBondContact O-N 3.3Å; V627-Y630 PolarHBondContact O-N 3.32Å; E628-Y630 PolarHBondContact O-N 3Å; Y630-L634 HydrophobicContact CE1-CB 4.46Å; Y630-L634 HydrophobicContact CE1-CD2 3.64Å; Y630-L634 WeakPolarHBondContact O-CB 3.49Å; Y630-L634 PolarHBondContact O-N 3.49Å; Y630-L681 HydrophobicContact CD1-CD1 3.8Å; Y630-L681 HydrophobicContact CD2-CD1 4.17Å; Y630-L681 HydrophobicContact CG-CD1 3.58Å; Y630-L684 HydrophobicContact CD1-CB 4.03Å; Y630-L684 HydrophobicContact CD1-CD1 4.1Å; Y630-L684 HydrophobicContact CE1-CB 3.67Å; Y630-K685 HydrophobicContact CE1-CG 4.29Å; Y630-K685 HydrophobicContact CE2-CG 4Å; Y630-G688 WeakPolarHBondContact OH-CA 3.45Å |
| 631 | V | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 177.3 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | V627 E628 E629 R635 L658 T661 E662 L684 | V627-V631 HydrophobicContact CG1-CG2 4.37Å; V627-V631 VanDerWaalsContact O-CG2 3.29Å; V627-V631 WeakPolarHBondContact O-CG2 3.39Å; V627-V631 PolarHBondContact O-N 3.28Å; E628-V631 PolarHBondContact O-N 3.36Å; E629-V631 VanDerWaalsContact C-N 3.31Å; E629-V631 PolarHBondContact O-N 3.12Å; V631-R635 VanDerWaalsContact O-CB 3.28Å; V631-R635 WeakPolarHBondContact O-CB 3.42Å; V631-R635 PolarHBondContact O-N 2.96Å; V631-R635 VanDerWaalsContact O-N 3.07Å; V631-L658 HydrophobicContact CB-CD2 4.32Å; V631-L658 HydrophobicContact CG1-CB 4.32Å; V631-L658 HydrophobicContact CG1-CD2 4.29Å; V631-L658 HydrophobicContact CG2-CD2 4.06Å; V631-T661 HydrophobicContact CG2-CG2 4.06Å; V631-E662 HydrophobicContact CG1-CB 4.24Å; V631-L684 HydrophobicContact CG2-CD1 3.65Å |
| 632 | Y | 93.8 | Very high | 93.6 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 179.4 | -72.8 | -60.9 | 0 | 0 | 0 | 112.3 | E628 E629 L634 R635 E636 E662 Y666 | E628-Y632 HydrophobicContact CG-CD2 3.81Å; E628-Y632 HydrophobicContact CG-CE2 3.43Å; E628-Y632 VanDerWaalsContact CG-CE2 3.43Å; E628-Y632 WeakPolarHBondContact O-CD2 3.35Å; E628-Y632 PolarHBondContact O-N 3.31Å; E628-Y632 VanDerWaalsContact O-N 3.08Å; E629-Y632 PolarHBondContact O-N 2.94Å; Y632-L634 PolarHBondContact O-N 3.46Å; Y632-R635 PolarHBondContact O-N 3.45Å; Y632-E636 PolarHBondContact O-N 3.2Å; Y632-E636 VanDerWaalsContact O-N 3.07Å; Y632-E662 PolarHBondContact OH-OE1 2.91Å; Y632-Y666 PolarHBondContact OH-OH 3.32Å |
| 633 | D | 94.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | -179.6 | -179.9 | 73.1 | 0 | 0 | 0 | 111.9 | E629 K637 | E629-D633 VanDerWaalsContact O-CB 3.25Å; E629-D633 WeakPolarHBondContact O-CB 3.42Å; E629-D633 PolarHBondContact O-N 3.45Å; D633-K637 WeakPolarHBondContact O-CB 3.31Å; D633-K637 VanDerWaalsContact O-CG 3.31Å; D633-K637 WeakPolarHBondContact O-CG 3.29Å; D633-K637 PolarHBondContact O-N 2.82Å; D633-K637 VanDerWaalsContact O-N 3.11Å; D633-K637 WeakPolarHBondContact OD1-CE 2.93Å; D633-K637 IonicContact OD1-NZ 3.14Å; D633-K637 PolarHBondContact OD1-NZ 3.24Å; D633-K637 WeakPolarHBondContact OD2-CE 3.37Å; D633-K637 IonicContact OD2-NZ 3.71Å; D633-K637 PolarHBondContact OD2-NZ 3.12Å |
| 634 | L | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69 | -40 | -179 | -172.8 | 58.6 | 0 | 0 | 0 | 111.6 | Y630 Y632 K637 L638 Y642 L654 L658 | Y630-L634 HydrophobicContact CE1-CB 4.46Å; Y630-L634 HydrophobicContact CE1-CD2 3.64Å; Y630-L634 WeakPolarHBondContact O-CB 3.49Å; Y630-L634 PolarHBondContact O-N 3.49Å; Y632-L634 PolarHBondContact O-N 3.46Å; L634-K637 PolarHBondContact O-N 2.73Å; L634-L638 HydrophobicContact CD1-CG 4.22Å; L634-L638 HydrophobicContact CG-CD1 4Å; L634-L638 HydrophobicContact CG-CG 4.21Å; L634-L638 WeakPolarHBondContact O-CB 3.2Å; L634-L638 WeakPolarHBondContact O-CG 3.38Å; L634-L638 PolarHBondContact O-N 3.3Å; L634-Y642 HydrophobicContact CD1-CD2 3.98Å; L634-Y642 HydrophobicContact CD1-CE2 4.01Å; L634-L654 HydrophobicContact CD2-CD1 4.42Å; L634-L654 HydrophobicContact CD2-CD2 4.15Å; L634-L658 HydrophobicContact CB-CD1 4.37Å; L634-L658 HydrophobicContact CD2-CD1 4.3Å; L634-L658 HydrophobicContact CD2-CD2 4.25Å; L634-L658 HydrophobicContact CG-CD1 4.18Å |
| 635 | R | 92.9 | Very high | 93 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 177.2 | -177.8 | -176.8 | -68.3 | 160.9 | -2.3 | 111.6 | V631 Y632 K637 L638 C639 L658 E662 | V631-R635 VanDerWaalsContact O-CB 3.28Å; V631-R635 WeakPolarHBondContact O-CB 3.42Å; V631-R635 PolarHBondContact O-N 2.96Å; V631-R635 VanDerWaalsContact O-N 3.07Å; Y632-R635 PolarHBondContact O-N 3.45Å; R635-K637 VanDerWaalsContact C-N 3.32Å; R635-K637 PolarHBondContact O-N 2.92Å; R635-L638 PolarHBondContact O-N 2.83Å; R635-C639 PolarHBondContact O-N 3.39Å; R635-L658 HydrophobicContact CB-CD1 4.28Å; R635-E662 IonicContact CZ-OE2 2.65Å; R635-E662 IonicContact NH1-OE1 2.66Å; R635-E662 PolarHBondContact NH1-OE1 3.13Å; R635-E662 IonicContact NH1-OE2 3.74Å; R635-E662 PolarHBondContact NH1-OE2 3.23Å; R635-E662 IonicContact NH2-OE2 2.65Å; R635-E662 PolarHBondContact NH2-OE2 3.05Å |
| 636 | E | 92.9 | Very high | 92.9 | Very high | 149 Ų | 149 | 59.3 Ų | 59.3 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.3 | -46.9 | 177.4 | -176 | -178.9 | 174.1 | 0 | 0 | 110.9 | Y632 C639 G640 | Y632-E636 PolarHBondContact O-N 3.2Å; Y632-E636 VanDerWaalsContact O-N 3.07Å; E636-C639 PolarHBondContact O-N 2.78Å; E636-G640 PolarHBondContact O-N 3.18Å |
| 637 | K | 93.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.5 | -33.2 | -178 | -68.6 | 173.2 | -178.8 | 163.4 | 0 | 113.2 | D633 L634 R635 C639 G640 I641 Y642 | D633-K637 WeakPolarHBondContact O-CB 3.31Å; D633-K637 VanDerWaalsContact O-CG 3.31Å; D633-K637 WeakPolarHBondContact O-CG 3.29Å; D633-K637 PolarHBondContact O-N 2.82Å; D633-K637 VanDerWaalsContact O-N 3.11Å; D633-K637 WeakPolarHBondContact OD1-CE 2.93Å; D633-K637 IonicContact OD1-NZ 3.14Å; D633-K637 PolarHBondContact OD1-NZ 3.24Å; D633-K637 WeakPolarHBondContact OD2-CE 3.37Å; D633-K637 IonicContact OD2-NZ 3.71Å; D633-K637 PolarHBondContact OD2-NZ 3.12Å; L634-K637 PolarHBondContact O-N 2.73Å; R635-K637 VanDerWaalsContact C-N 3.32Å; R635-K637 PolarHBondContact O-N 2.92Å; K637-C639 VanDerWaalsContact C-N 3.32Å; K637-C639 PolarHBondContact O-N 3.07Å; K637-G640 CarbonylContact O-C 3.26Å; K637-G640 VanDerWaalsContact O-C 3.26Å; K637-G640 PolarHBondContact O-N 2.78Å; K637-I641 HydrophobicContact CB-CD1 4.38Å; K637-I641 HydrophobicContact CB-CG1 3.94Å; K637-I641 HydrophobicContact CD-CD1 4.13Å; K637-I641 HydrophobicContact CG-CD1 4.01Å; K637-I641 HydrophobicContact CG-CG1 4.01Å; K637-I641 PolarHBondContact O-N 2.87Å; K637-I641 VanDerWaalsContact O-N 3.15Å; K637-Y642 HydrophobicContact CB-CD2 3.39Å; K637-Y642 HydrophobicContact CB-CE2 3.47Å; K637-Y642 VanDerWaalsContact CB-CE2 3.47Å; K637-Y642 HydrophobicContact CB-CG 4.03Å; K637-Y642 HydrophobicContact CD-CD2 4.42Å; K637-Y642 HydrophobicContact CD-CE2 3.61Å; K637-Y642 HydrophobicContact CG-CD2 4.49Å; K637-Y642 HydrophobicContact CG-CE2 4.14Å; K637-Y642 WeakPolarHBondContact O-CB 3.45Å; K637-Y642 PolarHBondContact O-N 2.79Å |
| 638 | L | 90.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 174.8 | -78 | 171.2 | 0 | 0 | 0 | 112.1 | L634 R635 G640 Q643 I646 L654 L658 I691 | L634-L638 HydrophobicContact CD1-CG 4.22Å; L634-L638 HydrophobicContact CG-CD1 4Å; L634-L638 HydrophobicContact CG-CG 4.21Å; L634-L638 WeakPolarHBondContact O-CB 3.2Å; L634-L638 WeakPolarHBondContact O-CG 3.38Å; L634-L638 PolarHBondContact O-N 3.3Å; R635-L638 PolarHBondContact O-N 2.83Å; L638-G640 PolarHBondContact O-N 2.88Å; L638-Q643 WeakPolarHBondContact O-CA 3.42Å; L638-Q643 WeakPolarHBondContact O-CB 3.4Å; L638-Q643 PolarHBondContact O-N 3.33Å; L638-I646 HydrophobicContact CD2-CD1 4.17Å; L638-I646 HydrophobicContact CD2-CG2 4.42Å; L638-L654 HydrophobicContact CD1-CB 4.45Å; L638-L654 HydrophobicContact CD1-CD2 3.71Å; L638-L654 HydrophobicContact CD1-CG 3.82Å; L638-L654 HydrophobicContact CD2-CD2 4.03Å; L638-L654 HydrophobicContact CG-CD2 4.45Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L638-I691 HydrophobicContact CD2-CD1 4.06Å |
| 639 | C | 85.7 | Confident | 92 | Very high | 101 Ų | 101 | 72.9 Ų | 72.9 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.3 | 174.2 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | R635 E636 K637 | R635-C639 PolarHBondContact O-N 3.39Å; E636-C639 PolarHBondContact O-N 2.78Å; K637-C639 VanDerWaalsContact C-N 3.32Å; K637-C639 PolarHBondContact O-N 3.07Å |
| 640 | G | 89.3 | Confident | 91.7 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -109.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E636 K637 L638 Y642 Q643 | E636-G640 PolarHBondContact O-N 3.18Å; K637-G640 CarbonylContact O-C 3.26Å; K637-G640 VanDerWaalsContact O-C 3.26Å; K637-G640 PolarHBondContact O-N 2.78Å; L638-G640 PolarHBondContact O-N 2.88Å; G640-Y642 VanDerWaalsContact C-N 3.28Å; G640-Y642 PolarHBondContact O-N 2.82Å; G640-Q643 WeakPolarHBondContact O-CB 3.09Å; G640-Q643 PolarHBondContact O-N 2.87Å |
| 641 | I | 91.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.9 | -170.6 | 59.9 | 169.7 | 0 | 0 | 0 | 114 | K637 Y645 | K637-I641 HydrophobicContact CB-CD1 4.38Å; K637-I641 HydrophobicContact CB-CG1 3.94Å; K637-I641 HydrophobicContact CD-CD1 4.13Å; K637-I641 HydrophobicContact CG-CD1 4.01Å; K637-I641 HydrophobicContact CG-CG1 4.01Å; K637-I641 PolarHBondContact O-N 2.87Å; K637-I641 VanDerWaalsContact O-N 3.15Å; I641-Y645 WeakPolarHBondContact O-CD2 3.41Å; I641-Y645 WeakPolarHBondContact O-CE2 3.46Å |
| 642 | Y | 92.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 73.9 Ų | 73.9 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -11.1 | -176.9 | -64.3 | -21 | 0 | 0 | 0 | 114.1 | L634 K637 G640 K644 Y645 I691 Q692 H695 | L634-Y642 HydrophobicContact CD1-CD2 3.98Å; L634-Y642 HydrophobicContact CD1-CE2 4.01Å; K637-Y642 HydrophobicContact CB-CD2 3.39Å; K637-Y642 HydrophobicContact CB-CE2 3.47Å; K637-Y642 VanDerWaalsContact CB-CE2 3.47Å; K637-Y642 HydrophobicContact CB-CG 4.03Å; K637-Y642 HydrophobicContact CD-CD2 4.42Å; K637-Y642 HydrophobicContact CD-CE2 3.61Å; K637-Y642 HydrophobicContact CG-CD2 4.49Å; K637-Y642 HydrophobicContact CG-CE2 4.14Å; K637-Y642 WeakPolarHBondContact O-CB 3.45Å; K637-Y642 PolarHBondContact O-N 2.79Å; G640-Y642 VanDerWaalsContact C-N 3.28Å; G640-Y642 PolarHBondContact O-N 2.82Å; Y642-K644 PolarHBondContact O-N 3.47Å; Y642-Y645 PolarHBondContact O-N 3.22Å; Y642-I691 HydrophobicContact CD1-CG2 4.46Å; Y642-I691 HydrophobicContact CD2-CG2 4.31Å; Y642-I691 HydrophobicContact CG-CG2 3.94Å; Y642-Q692 HydrophobicContact CE2-CG 3.75Å; Y642-Q692 WeakPolarHBondContact OH-CG 3.41Å; Y642-H695 HydrophobicContact CD1-CB 3.76Å; Y642-H695 AromaticContact CD1-CD2 3.87Å; Y642-H695 AromaticContact CD1-CG 3.86Å; Y642-H695 HydrophobicContact CE1-CB 3.65Å; Y642-H695 AromaticContact CE1-CD2 3.94Å; Y642-H695 AromaticContact CE1-CG 3.61Å |
| 643 | Q | 90.4 | Very high | 91.2 | Very high | 130 Ų | 130 | 75.9 Ų | 75.9 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -51.6 | -35.2 | -178 | -169.4 | -173.7 | 19.7 | 0 | 0 | 113 | L638 G640 | L638-Q643 WeakPolarHBondContact O-CA 3.42Å; L638-Q643 WeakPolarHBondContact O-CB 3.4Å; L638-Q643 PolarHBondContact O-N 3.33Å; G640-Q643 WeakPolarHBondContact O-CB 3.09Å; G640-Q643 PolarHBondContact O-N 2.87Å |
| 644 | K | 90.8 | Very high | 91.1 | Very high | 154 Ų | 154 | 73.5 Ų | 73.5 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -79.5 | -15.4 | -178.5 | -61.2 | 178.8 | -174.9 | 173 | 0 | 114 | Y642 I763 | Y642-K644 PolarHBondContact O-N 3.47Å; K644-I763 WeakPolarHBondContact O-CG2 3.29Å |
| 645 | Y | 91.8 | Very high | 91 | Very high | 22 Ų | 22 | 75.2 Ų | 75.2 | 9% | 0.086 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -105.5 | 4.4 | -169.8 | -61.1 | -81.9 | 0 | 0 | 0 | 113.3 | I641 Y642 R694 H695 S698 I763 | I641-Y645 WeakPolarHBondContact O-CD2 3.41Å; I641-Y645 WeakPolarHBondContact O-CE2 3.46Å; Y642-Y645 PolarHBondContact O-N 3.22Å; Y645-R694 HydrophobicContact CD1-CB 4.15Å; Y645-H695 HydrophobicContact CD1-CB 4.46Å; Y645-H695 HydrophobicContact CD2-CB 4Å; Y645-H695 AromaticContact CD2-CD2 3.9Å; Y645-H695 HydrophobicContact CE2-CB 4.05Å; Y645-H695 AromaticContact CE2-CD2 3.34Å; Y645-H695 WeakPolarHBondContact CE2-CD2 3.13Å; Y645-H695 HydrophobicContact CG-CB 4.2Å; Y645-H695 AromaticContact CZ-CD2 3.92Å; Y645-S698 VanDerWaalsContact CE1-CB 3.4Å; Y645-S698 PolarHBondContact OH-OG 2.85Å; Y645-I763 HydrophobicContact CD1-CD1 4Å; Y645-I763 HydrophobicContact CD1-CG1 3.56Å; Y645-I763 HydrophobicContact CE1-CD1 3.43Å; Y645-I763 VanDerWaalsContact CE1-CD1 3.43Å; Y645-I763 HydrophobicContact CE1-CG1 3.44Å; Y645-I763 VanDerWaalsContact CE1-CG1 3.44Å |
| 646 | I | 92.2 | Very high | 91.1 | Very high | 14 Ų | 14 | 76.9 Ų | 76.9 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -129.7 | 152.8 | 179.8 | -172.8 | 156.7 | 0 | 0 | 0 | 110.4 | L638 D650 L654 I691 T764 | L638-I646 HydrophobicContact CD2-CD1 4.17Å; L638-I646 HydrophobicContact CD2-CG2 4.42Å; I646-D650 HydrophobicContact CD1-CB 3.8Å; I646-D650 HydrophobicContact CG1-CB 3.65Å; I646-L654 HydrophobicContact CD1-CD2 4.29Å; I646-I691 HydrophobicContact CB-CG2 4.47Å; I646-I691 HydrophobicContact CD1-CD1 3.44Å; I646-I691 VanDerWaalsContact CD1-CD1 3.44Å; I646-I691 HydrophobicContact CD1-CG1 4.14Å; I646-I691 HydrophobicContact CG1-CD1 4.42Å; I646-T764 WeakPolarHBondContact O-CG2 3.43Å |
| 647 | T | 91.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 71.9 Ų | 71.9 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | trans | -77.7 | 155.4 | 171.6 | 72.7 | 0 | 0 | 0 | 0 | 110.2 | E649 D650 S651 | T647-E649 VanDerWaalsContact C-N 3.27Å; T647-E649 PolarHBondContact O-N 2.81Å; T647-D650 PolarHBondContact O-N 2.93Å; T647-D650 VanDerWaalsContact OG1-CB 3.3Å; T647-D650 WeakPolarHBondContact OG1-CB 3.45Å; T647-D650 PolarHBondContact OG1-N 3.01Å; T647-D650 VanDerWaalsContact OG1-N 3.12Å; T647-D650 PolarHBondContact OG1-OD2 2.88Å; T647-S651 VanDerWaalsContact O-CB 3.22Å; T647-S651 WeakPolarHBondContact O-CB 3.29Å; T647-S651 PolarHBondContact O-N 3.01Å | ||
| 648 | E | 87.9 | Confident | 91.2 | Very high | 163 Ų | 163 | 69 Ų | 69 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 178.7 | -169.3 | 177.1 | 177.2 | 0 | 0 | 112.1 | S651 N652 | E648-S651 PolarHBondContact O-N 2.87Å; E648-N652 WeakPolarHBondContact O-CB 3.28Å; E648-N652 VanDerWaalsContact O-CG 3.22Å; E648-N652 PolarHBondContact O-N 3.01Å; E648-N652 PolarHBondContact O-ND2 2.92Å |
| 649 | E | 89.6 | Confident | 91.4 | Very high | 160 Ų | 160 | 73 Ų | 73 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.3 | -50.1 | 176.6 | -174.9 | 177.5 | 179 | 0 | 0 | 112.1 | T647 S651 N652 R653 | T647-E649 VanDerWaalsContact C-N 3.27Å; T647-E649 PolarHBondContact O-N 2.81Å; E649-S651 VanDerWaalsContact C-N 3.28Å; E649-S651 PolarHBondContact O-N 3.24Å; E649-N652 PolarHBondContact O-N 2.93Å; E649-R653 WeakPolarHBondContact O-CB 3.46Å; E649-R653 PolarHBondContact O-N 3.38Å |
| 650 | D | 89.4 | Confident | 91.9 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 178.1 | -66.6 | -42.5 | 0 | 0 | 0 | 111.3 | I646 T647 R653 L654 | I646-D650 HydrophobicContact CD1-CB 3.8Å; I646-D650 HydrophobicContact CG1-CB 3.65Å; T647-D650 PolarHBondContact O-N 2.93Å; T647-D650 VanDerWaalsContact OG1-CB 3.3Å; T647-D650 WeakPolarHBondContact OG1-CB 3.45Å; T647-D650 PolarHBondContact OG1-N 3.01Å; T647-D650 VanDerWaalsContact OG1-N 3.12Å; T647-D650 PolarHBondContact OG1-OD2 2.88Å; D650-R653 PolarHBondContact O-N 3.41Å; D650-L654 VanDerWaalsContact O-CB 3.3Å; D650-L654 WeakPolarHBondContact O-CB 3.42Å; D650-L654 PolarHBondContact O-N 2.99Å |
| 651 | S | 90.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 71.2 Ų | 71.2 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | T647 E648 E649 L654 T655 | T647-S651 VanDerWaalsContact O-CB 3.22Å; T647-S651 WeakPolarHBondContact O-CB 3.29Å; T647-S651 PolarHBondContact O-N 3.01Å; E648-S651 PolarHBondContact O-N 2.87Å; E649-S651 VanDerWaalsContact C-N 3.28Å; E649-S651 PolarHBondContact O-N 3.24Å; S651-L654 PolarHBondContact O-N 3.49Å; S651-T655 WeakPolarHBondContact O-CB 3.3Å; S651-T655 PolarHBondContact O-N 2.89Å; S651-T655 PolarHBondContact O-OG1 2.91Å |
| 652 | N | 90.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.1 | -71.5 | -24.9 | 0 | 0 | 0 | 111.2 | E648 E649 T655 L656 | E648-N652 WeakPolarHBondContact O-CB 3.28Å; E648-N652 VanDerWaalsContact O-CG 3.22Å; E648-N652 PolarHBondContact O-N 3.01Å; E648-N652 PolarHBondContact O-ND2 2.92Å; E649-N652 PolarHBondContact O-N 2.93Å; N652-T655 PolarHBondContact O-N 3.46Å; N652-L656 PolarHBondContact O-N 3.23Å |
| 653 | R | 91.9 | Very high | 92.3 | Very high | 138 Ų | 138 | 72.4 Ų | 72.4 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 176.5 | -179.6 | -178.4 | 176.2 | 176.7 | 1.2 | 112 | E649 D650 L656 M657 | E649-R653 WeakPolarHBondContact O-CB 3.46Å; E649-R653 PolarHBondContact O-N 3.38Å; D650-R653 PolarHBondContact O-N 3.41Å; R653-L656 PolarHBondContact O-N 3.47Å; R653-M657 HydrophobicContact CG-SD 4.45Å; R653-M657 WeakPolarHBondContact O-CG 3.39Å; R653-M657 PolarHBondContact O-N 3Å |
| 654 | L | 92.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -37.8 | -178.7 | -176.4 | 55.3 | 0 | 0 | 0 | 111.4 | L634 L638 I646 D650 S651 L656 M657 L658 F687 I691 | L634-L654 HydrophobicContact CD2-CD1 4.42Å; L634-L654 HydrophobicContact CD2-CD2 4.15Å; L638-L654 HydrophobicContact CD1-CB 4.45Å; L638-L654 HydrophobicContact CD1-CD2 3.71Å; L638-L654 HydrophobicContact CD1-CG 3.82Å; L638-L654 HydrophobicContact CD2-CD2 4.03Å; L638-L654 HydrophobicContact CG-CD2 4.45Å; I646-L654 HydrophobicContact CD1-CD2 4.29Å; D650-L654 VanDerWaalsContact O-CB 3.3Å; D650-L654 WeakPolarHBondContact O-CB 3.42Å; D650-L654 PolarHBondContact O-N 2.99Å; S651-L654 PolarHBondContact O-N 3.49Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L654-L656 PolarHBondContact O-N 3.47Å; L654-M657 PolarHBondContact O-N 3.34Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.28Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.29Å; L654-L658 PolarHBondContact O-N 3.38Å; L654-F687 HydrophobicContact CD1-CB 3.87Å; L654-F687 HydrophobicContact CD2-CB 4.44Å; L654-I691 HydrophobicContact CD2-CD1 3.52Å |
| 655 | T | 92.9 | Very high | 92.7 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.3 | -57 | 0 | 0 | 0 | 0 | 110.9 | S651 N652 M657 L658 E659 | S651-T655 WeakPolarHBondContact O-CB 3.3Å; S651-T655 PolarHBondContact O-N 2.89Å; S651-T655 PolarHBondContact O-OG1 2.91Å; N652-T655 PolarHBondContact O-N 3.46Å; T655-M657 PolarHBondContact O-N 3.09Å; T655-L658 WeakPolarHBondContact O-CB 3.47Å; T655-L658 PolarHBondContact O-N 3.29Å; T655-E659 WeakPolarHBondContact O-CG 3.03Å; T655-E659 PolarHBondContact O-N 3.38Å |
| 656 | L | 94 | Very high | 92.5 | Very high | 95 Ų | 95 | 65.8 Ų | 65.8 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.9 | -172.8 | 69.3 | 0 | 0 | 0 | 111.9 | N652 R653 L654 L658 E659 D660 | N652-L656 PolarHBondContact O-N 3.23Å; R653-L656 PolarHBondContact O-N 3.47Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L654-L656 PolarHBondContact O-N 3.47Å; L656-L658 VanDerWaalsContact C-N 3.28Å; L656-L658 PolarHBondContact O-N 3.02Å; L656-E659 PolarHBondContact O-N 3.19Å; L656-D660 WeakPolarHBondContact O-CB 3.42Å; L656-D660 VanDerWaalsContact O-CG 3.3Å; L656-D660 PolarHBondContact O-N 3.19Å |
| 657 | M | 94.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 72 Ų | 72 | 22% | 0.217 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.3 | -72.7 | -178.8 | 63.3 | 0 | 0 | 113.1 | R653 L654 T655 T661 L684 F687 | R653-M657 HydrophobicContact CG-SD 4.45Å; R653-M657 WeakPolarHBondContact O-CG 3.39Å; R653-M657 PolarHBondContact O-N 3Å; L654-M657 PolarHBondContact O-N 3.34Å; T655-M657 PolarHBondContact O-N 3.09Å; M657-T661 WeakPolarHBondContact O-CB 3.45Å; M657-T661 PolarHBondContact O-N 2.76Å; M657-T661 PolarHBondContact O-OG1 2.78Å; M657-L684 HydrophobicContact CB-CD2 4.3Å; M657-L684 HydrophobicContact CE-CD2 4.44Å; M657-F687 HydrophobicContact CE-CD2 3.82Å; M657-F687 HydrophobicContact CE-CE2 3.77Å; M657-F687 HydrophobicContact SD-CD2 4.05Å; M657-F687 HydrophobicContact SD-CE2 4.01Å |
| 658 | L | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 176.7 | -68.9 | 170.5 | 0 | 0 | 0 | 111.2 | V631 L634 R635 L638 L654 T655 L656 T661 E662 L684 | V631-L658 HydrophobicContact CB-CD2 4.32Å; V631-L658 HydrophobicContact CG1-CB 4.32Å; V631-L658 HydrophobicContact CG1-CD2 4.29Å; V631-L658 HydrophobicContact CG2-CD2 4.06Å; L634-L658 HydrophobicContact CB-CD1 4.37Å; L634-L658 HydrophobicContact CD2-CD1 4.3Å; L634-L658 HydrophobicContact CD2-CD2 4.25Å; L634-L658 HydrophobicContact CG-CD1 4.18Å; R635-L658 HydrophobicContact CB-CD1 4.28Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.28Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.29Å; L654-L658 PolarHBondContact O-N 3.38Å; T655-L658 WeakPolarHBondContact O-CB 3.47Å; T655-L658 PolarHBondContact O-N 3.29Å; L656-L658 VanDerWaalsContact C-N 3.28Å; L656-L658 PolarHBondContact O-N 3.02Å; L658-T661 PolarHBondContact O-N 2.99Å; L658-E662 WeakPolarHBondContact O-CB 3.49Å; L658-E662 PolarHBondContact O-N 3.01Å; L658-L684 HydrophobicContact CD2-CD1 4.09Å; L658-L684 HydrophobicContact CD2-CD2 3.95Å |
| 659 | E | 94.5 | Very high | 92.1 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 172.7 | -71.5 | 174.5 | -175.6 | 0 | 0 | 111.8 | T655 L656 T661 E662 N663 | T655-E659 WeakPolarHBondContact O-CG 3.03Å; T655-E659 PolarHBondContact O-N 3.38Å; L656-E659 PolarHBondContact O-N 3.19Å; E659-T661 VanDerWaalsContact C-N 3.29Å; E659-T661 PolarHBondContact O-N 3.25Å; E659-E662 PolarHBondContact O-N 2.88Å; E659-N663 WeakPolarHBondContact O-CB 3.4Å; E659-N663 VanDerWaalsContact O-CG 3.26Å; E659-N663 PolarHBondContact O-N 2.65Å; E659-N663 PolarHBondContact O-ND2 3.04Å |
| 660 | D | 94.8 | Very high | 91.9 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 177 | -73.5 | -17.6 | 0 | 0 | 0 | 111.9 | L656 W664 | L656-D660 WeakPolarHBondContact O-CB 3.42Å; L656-D660 VanDerWaalsContact O-CG 3.3Å; L656-D660 PolarHBondContact O-N 3.19Å; D660-W664 VanDerWaalsContact O-CB 3.22Å; D660-W664 WeakPolarHBondContact O-CB 3.49Å; D660-W664 PolarHBondContact O-N 2.99Å |
| 661 | T | 94.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | V627 V631 M657 L658 E659 W664 L665 L684 | V627-T661 HydrophobicContact CG1-CG2 3.78Å; V631-T661 HydrophobicContact CG2-CG2 4.06Å; M657-T661 WeakPolarHBondContact O-CB 3.45Å; M657-T661 PolarHBondContact O-N 2.76Å; M657-T661 PolarHBondContact O-OG1 2.78Å; L658-T661 PolarHBondContact O-N 2.99Å; E659-T661 VanDerWaalsContact C-N 3.29Å; E659-T661 PolarHBondContact O-N 3.25Å; T661-W664 PolarHBondContact O-N 2.85Å; T661-L665 WeakPolarHBondContact O-CG 3.31Å; T661-L665 PolarHBondContact O-N 2.91Å; T661-L684 HydrophobicContact CG2-CD1 4.01Å |
| 662 | E | 94 | Very high | 91.8 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 173.1 | -176.9 | -177.6 | -159.4 | 0 | 0 | 111.3 | V631 Y632 R635 L658 E659 W664 L665 Y666 | V631-E662 HydrophobicContact CG1-CB 4.24Å; Y632-E662 PolarHBondContact OH-OE1 2.91Å; R635-E662 IonicContact CZ-OE2 2.65Å; R635-E662 IonicContact NH1-OE1 2.66Å; R635-E662 PolarHBondContact NH1-OE1 3.13Å; R635-E662 IonicContact NH1-OE2 3.74Å; R635-E662 PolarHBondContact NH1-OE2 3.23Å; R635-E662 IonicContact NH2-OE2 2.65Å; R635-E662 PolarHBondContact NH2-OE2 3.05Å; L658-E662 WeakPolarHBondContact O-CB 3.49Å; L658-E662 PolarHBondContact O-N 3.01Å; E659-E662 PolarHBondContact O-N 2.88Å; E662-W664 VanDerWaalsContact C-N 3.27Å; E662-W664 PolarHBondContact O-N 3.48Å; E662-L665 WeakPolarHBondContact O-CB 3.36Å; E662-L665 PolarHBondContact O-N 3.46Å; E662-L665 VanDerWaalsContact O-N 3.07Å; E662-Y666 HydrophobicContact CG-CD2 4.14Å; E662-Y666 HydrophobicContact CG-CE2 3.81Å; E662-Y666 VanDerWaalsContact O-CD2 3.24Å; E662-Y666 WeakPolarHBondContact O-CD2 3.25Å; E662-Y666 PolarHBondContact O-N 3.09Å |
| 663 | N | 94.2 | Very high | 91.8 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.4 | -69.7 | -29.1 | 0 | 0 | 0 | 110.7 | E659 L665 Y666 E667 | E659-N663 WeakPolarHBondContact O-CB 3.4Å; E659-N663 VanDerWaalsContact O-CG 3.26Å; E659-N663 PolarHBondContact O-N 2.65Å; E659-N663 PolarHBondContact O-ND2 3.04Å; N663-L665 VanDerWaalsContact C-N 3.34Å; N663-L665 PolarHBondContact O-N 3.47Å; N663-Y666 PolarHBondContact O-N 2.89Å; N663-E667 PolarHBondContact O-N 3.28Å; N663-E667 VanDerWaalsContact O-N 3.11Å |
| 664 | W | 95.1 | Very high | 91.9 | Very high | 32 Ų | 32 | 65.8 Ų | 65.8 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 175.3 | 175.5 | 82.7 | 0 | 0 | 0 | 112.3 | D660 T661 E662 Y666 E667 E668 G669 Q672 V676 Y677 K680 | D660-W664 VanDerWaalsContact O-CB 3.22Å; D660-W664 WeakPolarHBondContact O-CB 3.49Å; D660-W664 PolarHBondContact O-N 2.99Å; T661-W664 PolarHBondContact O-N 2.85Å; E662-W664 VanDerWaalsContact C-N 3.27Å; E662-W664 PolarHBondContact O-N 3.48Å; W664-Y666 PolarHBondContact O-N 3.2Å; W664-E667 PolarHBondContact O-N 3.26Å; W664-E668 PolarHBondContact O-N 3.04Å; W664-G669 WeakPolarHBondContact O-CA 3.39Å; W664-G669 PolarHBondContact O-N 3.44Å; W664-Q672 HydrophobicContact CH2-CB 4.39Å; W664-Q672 HydrophobicContact CH2-CG 4.24Å; W664-Q672 HydrophobicContact CZ2-CB 4.33Å; W664-Q672 HydrophobicContact CZ2-CG 3.77Å; W664-V676 HydrophobicContact CH2-CG1 3.94Å; W664-V676 HydrophobicContact CZ2-CG1 3.66Å; W664-Y677 AromaticContact CH2-CD1 3.7Å; W664-Y677 HydrophobicContact CH2-CD1 3.7Å; W664-Y677 AromaticContact CH2-CE1 3.74Å; W664-Y677 HydrophobicContact CH2-CE1 3.74Å; W664-Y677 AromaticContact CZ3-CD1 3.8Å; W664-Y677 HydrophobicContact CZ3-CD1 3.8Å; W664-Y677 AromaticContact CZ3-CE1 3.87Å; W664-Y677 HydrophobicContact CZ3-CE1 3.87Å; W664-K680 HydrophobicContact CE3-CG 4.39Å; W664-K680 HydrophobicContact CH2-CG 3.97Å; W664-K680 HydrophobicContact CZ2-CG 4.35Å; W664-K680 HydrophobicContact CZ3-CG 3.99Å |
| 665 | L | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -32.1 | 179.4 | -79.2 | 169.2 | 0 | 0 | 0 | 113.5 | K624 V627 E628 T661 E662 N663 Y677 | K624-L665 HydrophobicContact CG-CD2 4.11Å; V627-L665 HydrophobicContact CB-CD1 4.41Å; V627-L665 HydrophobicContact CB-CD2 4.42Å; V627-L665 HydrophobicContact CG1-CD1 4.13Å; V627-L665 HydrophobicContact CG1-CD2 4.47Å; E628-L665 HydrophobicContact CB-CD1 4.09Å; T661-L665 WeakPolarHBondContact O-CG 3.31Å; T661-L665 PolarHBondContact O-N 2.91Å; E662-L665 WeakPolarHBondContact O-CB 3.36Å; E662-L665 PolarHBondContact O-N 3.46Å; E662-L665 VanDerWaalsContact O-N 3.07Å; N663-L665 VanDerWaalsContact C-N 3.34Å; N663-L665 PolarHBondContact O-N 3.47Å; L665-Y677 HydrophobicContact CD2-CD1 4.25Å; L665-Y677 HydrophobicContact CD2-CE1 4.03Å |
| 666 | Y | 89.6 | Confident | 92.1 | Very high | 130 Ų | 130 | 69.3 Ų | 69.3 | 51% | 0.51 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -94.9 | -8.1 | -179.7 | -64.5 | -65.7 | 0 | 0 | 0 | 114.3 | E628 Y632 E662 N663 W664 | E628-Y666 PolarHBondContact OE1-OH 3.01Å; Y632-Y666 PolarHBondContact OH-OH 3.32Å; E662-Y666 HydrophobicContact CG-CD2 4.14Å; E662-Y666 HydrophobicContact CG-CE2 3.81Å; E662-Y666 VanDerWaalsContact O-CD2 3.24Å; E662-Y666 WeakPolarHBondContact O-CD2 3.25Å; E662-Y666 PolarHBondContact O-N 3.09Å; N663-Y666 PolarHBondContact O-N 2.89Å; W664-Y666 PolarHBondContact O-N 3.2Å |
| 667 | E | 90.8 | Very high | 92.2 | Very high | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -105.1 | 176.4 | -64.1 | -175.5 | 174 | 0 | 0 | 110.7 | N663 W664 G669 E670 | N663-E667 PolarHBondContact O-N 3.28Å; N663-E667 VanDerWaalsContact O-N 3.11Å; W664-E667 PolarHBondContact O-N 3.26Å; E667-G669 PolarHBondContact O-N 2.98Å; E667-E670 PolarHBondContact O-N 3.07Å |
| 668 | E | 86.9 | Confident | 92.2 | Very high | 145 Ų | 145 | 67.9 Ų | 67.9 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.4 | -174.8 | -58.6 | -177.1 | 165.7 | 0 | 0 | 113.5 | W664 Q672 | W664-E668 PolarHBondContact O-N 3.04Å; E668-Q672 WeakPolarHBondContact O-CG 3.48Å; E668-Q672 PolarHBondContact O-NE2 3.46Å |
| 669 | G | 84.4 | Confident | 92.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W664 E667 D671 Y677 | W664-G669 WeakPolarHBondContact O-CA 3.39Å; W664-G669 PolarHBondContact O-N 3.44Å; E667-G669 PolarHBondContact O-N 2.98Å; G669-D671 PolarHBondContact O-N 2.97Å; G669-Y677 WeakPolarHBondContact O-CE1 3.26Å; G669-Y677 PolarHBondContact O-OH 3.04Å |
| 670 | E | 85.1 | Confident | 92.3 | Very high | 120 Ų | 120 | 73.2 Ų | 73.2 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -41.9 | -173.9 | -173.3 | 176.3 | -170.2 | 0 | 0 | 112.8 | K624 E667 Y677 | K624-E670 PolarHBondContact NZ-O 3.23Å; E667-E670 PolarHBondContact O-N 3.07Å; E670-Y677 PolarHBondContact O-OH 3.08Å |
| 671 | D | 85.7 | Confident | 92.3 | Very high | 104 Ų | 104 | 70.1 Ų | 70.1 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | 48.6 | -171 | -91 | -22.6 | 0 | 0 | 0 | 112.4 | K44 G669 | K44-D671 IonicContact NZ-OD1 2.62Å; K44-D671 PolarHBondContact NZ-OD1 3.22Å; K44-D671 IonicContact NZ-OD2 3.01Å; K44-D671 PolarHBondContact NZ-OD2 3.46Å; G669-D671 PolarHBondContact O-N 2.97Å |
| 672 | Q | 92.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 71.1 Ų | 71.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -90.6 | 155.5 | 178.3 | -66.6 | -64 | -33.3 | 0 | 0 | 113.2 | L620 W664 E668 V676 Y677 | L620-Q672 VanDerWaalsContact CD1-O 3.31Å; L620-Q672 WeakPolarHBondContact CD1-O 3.47Å; W664-Q672 HydrophobicContact CH2-CB 4.39Å; W664-Q672 HydrophobicContact CH2-CG 4.24Å; W664-Q672 HydrophobicContact CZ2-CB 4.33Å; W664-Q672 HydrophobicContact CZ2-CG 3.77Å; E668-Q672 WeakPolarHBondContact O-CG 3.48Å; E668-Q672 PolarHBondContact O-NE2 3.46Å; Q672-V676 HydrophobicContact CB-CB 4.16Å; Q672-V676 HydrophobicContact CB-CG1 4.24Å; Q672-V676 HydrophobicContact CG-CG1 4.49Å; Q672-Y677 HydrophobicContact CB-CE1 4.33Å; Q672-Y677 HydrophobicContact CB-CE2 4.27Å; Q672-Y677 PolarHBondContact N-OH 3.15Å; Q672-Y677 WeakPolarHBondContact O-CE2 3.26Å | ||
| 673 | P | 91.9 | Very high | 92.4 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | trans | -65.1 | 154.8 | 172.7 | -21.1 | 33.8 | 0 | 0 | 0 | 113.2 | N675 V676 | P673-N675 VanDerWaalsContact C-N 3.31Å; P673-N675 WeakPolarHBondContact CB-OD1 3.33Å; P673-N675 PolarHBondContact O-N 3.4Å; P673-V676 HydrophobicContact CB-CG2 4.49Å; P673-V676 WeakPolarHBondContact O-CB 3.05Å; P673-V676 PolarHBondContact O-N 3.16Å | ||
| 674 | K | 92.8 | Very high | 92.4 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 32% | 0.317 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.3 | -44.7 | -175.4 | -179.7 | -178.1 | 175.4 | -173.7 | 0 | 113.7 | E619 L620 A623 V676 Y677 E678 | E619-K674 HydrophobicContact CB-CD 4.31Å; E619-K674 IonicContact OE2-NZ 2.85Å; E619-K674 PolarHBondContact OE2-NZ 3.41Å; L620-K674 HydrophobicContact CD1-CB 3.87Å; A623-K674 HydrophobicContact CB-CG 4Å; K674-V676 PolarHBondContact O-N 2.71Å; K674-Y677 PolarHBondContact O-N 2.81Å; K674-E678 WeakPolarHBondContact CE-OE1 3.2Å; K674-E678 IonicContact NZ-OE1 3.35Å; K674-E678 PolarHBondContact O-N 2.84Å; K674-E678 VanDerWaalsContact O-N 3.12Å |
| 675 | N | 95.1 | Very high | 92.4 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -30.8 | -178.2 | 64.2 | -57.9 | 0 | 0 | 0 | 112.5 | P673 E678 E679 | P673-N675 VanDerWaalsContact C-N 3.31Å; P673-N675 WeakPolarHBondContact CB-OD1 3.33Å; P673-N675 PolarHBondContact O-N 3.4Å; N675-E678 PolarHBondContact O-N 3.41Å; N675-E679 WeakPolarHBondContact O-CB 3.36Å; N675-E679 VanDerWaalsContact O-CG 3.25Å; N675-E679 WeakPolarHBondContact O-CG 3.11Å; N675-E679 PolarHBondContact O-N 3.09Å |
| 676 | V | 95.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | W664 Q672 P673 K674 E679 K680 | W664-V676 HydrophobicContact CH2-CG1 3.94Å; W664-V676 HydrophobicContact CZ2-CG1 3.66Å; Q672-V676 HydrophobicContact CB-CB 4.16Å; Q672-V676 HydrophobicContact CB-CG1 4.24Å; Q672-V676 HydrophobicContact CG-CG1 4.49Å; P673-V676 HydrophobicContact CB-CG2 4.49Å; P673-V676 WeakPolarHBondContact O-CB 3.05Å; P673-V676 PolarHBondContact O-N 3.16Å; K674-V676 PolarHBondContact O-N 2.71Å; V676-E679 PolarHBondContact O-N 2.73Å; V676-K680 WeakPolarHBondContact O-CB 3.18Å; V676-K680 VanDerWaalsContact O-CG 3.31Å; V676-K680 WeakPolarHBondContact O-CG 3.45Å; V676-K680 PolarHBondContact O-N 3.35Å |
| 677 | Y | 95.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174 | -62.8 | -60.6 | 0 | 0 | 0 | 111.8 | L620 A623 K624 V627 W664 L665 G669 E670 Q672 K674 K680 L681 | L620-Y677 HydrophobicContact CD1-CD2 4.25Å; L620-Y677 HydrophobicContact CD1-CE2 3.97Å; L620-Y677 HydrophobicContact CG-CE2 4.34Å; A623-Y677 HydrophobicContact CB-CD2 4.43Å; K624-Y677 HydrophobicContact CB-CD1 4.21Å; K624-Y677 HydrophobicContact CB-CD2 4.25Å; K624-Y677 HydrophobicContact CB-CE1 3.97Å; K624-Y677 HydrophobicContact CB-CE2 3.99Å; K624-Y677 HydrophobicContact CB-CG 4.36Å; K624-Y677 HydrophobicContact CD-CE1 4.33Å; K624-Y677 HydrophobicContact CG-CD1 4.37Å; K624-Y677 HydrophobicContact CG-CE1 3.82Å; V627-Y677 HydrophobicContact CG2-CD1 4.3Å; V627-Y677 WeakPolarHBondContact CG2-O 3.47Å; W664-Y677 AromaticContact CH2-CD1 3.7Å; W664-Y677 HydrophobicContact CH2-CD1 3.7Å; W664-Y677 AromaticContact CH2-CE1 3.74Å; W664-Y677 HydrophobicContact CH2-CE1 3.74Å; W664-Y677 AromaticContact CZ3-CD1 3.8Å; W664-Y677 HydrophobicContact CZ3-CD1 3.8Å; W664-Y677 AromaticContact CZ3-CE1 3.87Å; W664-Y677 HydrophobicContact CZ3-CE1 3.87Å; L665-Y677 HydrophobicContact CD2-CD1 4.25Å; L665-Y677 HydrophobicContact CD2-CE1 4.03Å; G669-Y677 WeakPolarHBondContact O-CE1 3.26Å; G669-Y677 PolarHBondContact O-OH 3.04Å; E670-Y677 PolarHBondContact O-OH 3.08Å; Q672-Y677 HydrophobicContact CB-CE1 4.33Å; Q672-Y677 HydrophobicContact CB-CE2 4.27Å; Q672-Y677 PolarHBondContact N-OH 3.15Å; Q672-Y677 WeakPolarHBondContact O-CE2 3.26Å; K674-Y677 PolarHBondContact O-N 2.81Å; Y677-K680 PolarHBondContact O-N 3.37Å; Y677-L681 WeakPolarHBondContact O-CB 3.24Å; Y677-L681 PolarHBondContact O-N 2.75Å |
| 678 | E | 95.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 65 Ų | 65 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -41 | 177.2 | -69.5 | 178.5 | 159.1 | 0 | 0 | 112.1 | K674 N675 L681 G682 | K674-E678 WeakPolarHBondContact CE-OE1 3.2Å; K674-E678 IonicContact NZ-OE1 3.35Å; K674-E678 PolarHBondContact O-N 2.84Å; K674-E678 VanDerWaalsContact O-N 3.12Å; N675-E678 PolarHBondContact O-N 3.41Å; E678-L681 PolarHBondContact O-N 3.35Å; E678-G682 PolarHBondContact O-N 2.94Å |
| 679 | E | 95.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 174.5 | -76.1 | 170.9 | -158 | 0 | 0 | 111.7 | N675 V676 G682 A683 | N675-E679 WeakPolarHBondContact O-CB 3.36Å; N675-E679 VanDerWaalsContact O-CG 3.25Å; N675-E679 WeakPolarHBondContact O-CG 3.11Å; N675-E679 PolarHBondContact O-N 3.09Å; V676-E679 PolarHBondContact O-N 2.73Å; E679-G682 PolarHBondContact O-N 3.01Å; E679-A683 WeakPolarHBondContact O-CB 3.31Å; E679-A683 PolarHBondContact O-N 2.68Å |
| 680 | K | 94.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.2 | -75 | -74.6 | -173 | 170.2 | 0 | 111.8 | W664 V676 Y677 G682 A683 L684 | W664-K680 HydrophobicContact CE3-CG 4.39Å; W664-K680 HydrophobicContact CH2-CG 3.97Å; W664-K680 HydrophobicContact CZ2-CG 4.35Å; W664-K680 HydrophobicContact CZ3-CG 3.99Å; V676-K680 WeakPolarHBondContact O-CB 3.18Å; V676-K680 VanDerWaalsContact O-CG 3.31Å; V676-K680 WeakPolarHBondContact O-CG 3.45Å; V676-K680 PolarHBondContact O-N 3.35Å; Y677-K680 PolarHBondContact O-N 3.37Å; K680-G682 VanDerWaalsContact C-N 3.34Å; K680-G682 PolarHBondContact O-N 3.04Å; K680-A683 PolarHBondContact O-N 2.94Å; K680-L684 PolarHBondContact O-N 3.42Å; K680-L684 VanDerWaalsContact O-N 3.1Å |
| 681 | L | 95.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 59 Ų | 59 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.2 | -177.4 | 58 | 0 | 0 | 0 | 111.5 | A626 V627 Y630 Y677 E678 A683 L684 K685 | A626-L681 HydrophobicContact CB-CD2 4.22Å; V627-L681 HydrophobicContact CG2-CB 4.15Å; Y630-L681 HydrophobicContact CD1-CD1 3.8Å; Y630-L681 HydrophobicContact CD2-CD1 4.17Å; Y630-L681 HydrophobicContact CG-CD1 3.58Å; Y677-L681 WeakPolarHBondContact O-CB 3.24Å; Y677-L681 PolarHBondContact O-N 2.75Å; E678-L681 PolarHBondContact O-N 3.35Å; L681-A683 VanDerWaalsContact C-N 3.34Å; L681-A683 PolarHBondContact O-N 2.71Å; L681-L684 PolarHBondContact O-N 3.42Å; L681-K685 HydrophobicContact CD1-CD 4.38Å; L681-K685 HydrophobicContact CD1-CG 4.4Å; L681-K685 HydrophobicContact CG-CD 4.12Å; L681-K685 WeakPolarHBondContact O-CB 3.03Å; L681-K685 WeakPolarHBondContact O-CG 3.45Å; L681-K685 PolarHBondContact O-N 3.31Å |
| 682 | G | 95.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E678 E679 K680 L684 K685 I686 | E678-G682 PolarHBondContact O-N 2.94Å; E679-G682 PolarHBondContact O-N 3.01Å; K680-G682 VanDerWaalsContact C-N 3.34Å; K680-G682 PolarHBondContact O-N 3.04Å; G682-L684 VanDerWaalsContact C-N 3.33Å; G682-L684 PolarHBondContact O-N 2.85Å; G682-K685 PolarHBondContact O-N 3.16Å; G682-I686 WeakPolarHBondContact O-CG1 3.44Å; G682-I686 PolarHBondContact O-N 3.35Å; G682-I686 VanDerWaalsContact O-N 3.11Å |
| 683 | A | 94.9 | Very high | 93.9 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E679 K680 L681 F687 | E679-A683 WeakPolarHBondContact O-CB 3.31Å; E679-A683 PolarHBondContact O-N 2.68Å; K680-A683 PolarHBondContact O-N 2.94Å; L681-A683 VanDerWaalsContact C-N 3.34Å; L681-A683 PolarHBondContact O-N 2.71Å; A683-F687 WeakPolarHBondContact O-CD2 3.44Å |
| 684 | L | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 175.5 | -66.3 | 178.1 | 0 | 0 | 0 | 112.4 | Y630 V631 M657 L658 T661 K680 L681 G682 I686 F687 G688 | Y630-L684 HydrophobicContact CD1-CB 4.03Å; Y630-L684 HydrophobicContact CD1-CD1 4.1Å; Y630-L684 HydrophobicContact CE1-CB 3.67Å; V631-L684 HydrophobicContact CG2-CD1 3.65Å; M657-L684 HydrophobicContact CB-CD2 4.3Å; M657-L684 HydrophobicContact CE-CD2 4.44Å; L658-L684 HydrophobicContact CD2-CD1 4.09Å; L658-L684 HydrophobicContact CD2-CD2 3.95Å; T661-L684 HydrophobicContact CG2-CD1 4.01Å; K680-L684 PolarHBondContact O-N 3.42Å; K680-L684 VanDerWaalsContact O-N 3.1Å; L681-L684 PolarHBondContact O-N 3.42Å; G682-L684 VanDerWaalsContact C-N 3.33Å; G682-L684 PolarHBondContact O-N 2.85Å; L684-I686 VanDerWaalsContact C-N 3.32Å; L684-I686 PolarHBondContact O-N 2.94Å; L684-F687 PolarHBondContact O-N 3.32Å; L684-G688 PolarHBondContact O-N 2.96Å |
| 685 | K | 94.7 | Very high | 93.9 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -34 | 179.4 | -80.6 | 178.7 | 168.6 | -165.6 | 0 | 113.5 | Y630 L681 G682 F687 G688 E689 | Y630-K685 HydrophobicContact CE1-CG 4.29Å; Y630-K685 HydrophobicContact CE2-CG 4Å; L681-K685 HydrophobicContact CD1-CD 4.38Å; L681-K685 HydrophobicContact CD1-CG 4.4Å; L681-K685 HydrophobicContact CG-CD 4.12Å; L681-K685 WeakPolarHBondContact O-CB 3.03Å; L681-K685 WeakPolarHBondContact O-CG 3.45Å; L681-K685 PolarHBondContact O-N 3.31Å; G682-K685 PolarHBondContact O-N 3.16Å; K685-F687 PolarHBondContact O-N 3.21Å; K685-F687 VanDerWaalsContact O-N 3.14Å; K685-G688 PolarHBondContact O-N 3.37Å; K685-E689 HydrophobicContact CB-CG 4Å; K685-E689 WeakPolarHBondContact CD-OE1 3.34Å; K685-E689 HydrophobicContact CG-CG 4.18Å; K685-E689 WeakPolarHBondContact O-CB 3.41Å; K685-E689 WeakPolarHBondContact O-CG 3.21Å; K685-E689 PolarHBondContact O-N 3.43Å |
| 686 | I | 94.4 | Very high | 93.9 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -53.2 | -36.7 | 175 | -71.3 | 166.8 | 0 | 0 | 0 | 111.9 | G682 L684 P690 | G682-I686 WeakPolarHBondContact O-CG1 3.44Å; G682-I686 PolarHBondContact O-N 3.35Å; G682-I686 VanDerWaalsContact O-N 3.11Å; L684-I686 VanDerWaalsContact C-N 3.32Å; L684-I686 PolarHBondContact O-N 2.94Å; I686-P690 WeakPolarHBondContact O-CD 3.25Å; I686-P690 WeakPolarHBondContact O-CG 3.47Å |
| 687 | F | 90.6 | Very high | 93.8 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 31% | 0.311 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -94.5 | -36.7 | 179 | -62.6 | -80.4 | 0 | 0 | 0 | 112.8 | L654 M657 A683 L684 K685 I691 | L654-F687 HydrophobicContact CD1-CB 3.87Å; L654-F687 HydrophobicContact CD2-CB 4.44Å; M657-F687 HydrophobicContact CE-CD2 3.82Å; M657-F687 HydrophobicContact CE-CE2 3.77Å; M657-F687 HydrophobicContact SD-CD2 4.05Å; M657-F687 HydrophobicContact SD-CE2 4.01Å; A683-F687 WeakPolarHBondContact O-CD2 3.44Å; L684-F687 PolarHBondContact O-N 3.32Å; K685-F687 PolarHBondContact O-N 3.21Å; K685-F687 VanDerWaalsContact O-N 3.14Å; F687-I691 VanDerWaalsContact O-CD1 3.29Å; F687-I691 WeakPolarHBondContact O-CD1 3.4Å; F687-I691 WeakPolarHBondContact O-CG1 3.37Å |
| 688 | G | 91.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75 | -46.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y630 L684 K685 I691 Q692 | Y630-G688 WeakPolarHBondContact OH-CA 3.45Å; L684-G688 PolarHBondContact O-N 2.96Å; K685-G688 PolarHBondContact O-N 3.37Å; G688-I691 WeakPolarHBondContact O-CB 3.31Å; G688-I691 PolarHBondContact O-N 2.96Å; G688-Q692 WeakPolarHBondContact O-CG 3.31Å; G688-Q692 PolarHBondContact O-N 3.47Å |
| 689 | E | 92.3 | Very high | 93.3 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | -174.6 | -70.1 | -177.8 | 168.2 | 0 | 0 | 113.3 | K685 I691 Q692 E693 | K685-E689 HydrophobicContact CB-CG 4Å; K685-E689 WeakPolarHBondContact CD-OE1 3.34Å; K685-E689 HydrophobicContact CG-CG 4.18Å; K685-E689 WeakPolarHBondContact O-CB 3.41Å; K685-E689 WeakPolarHBondContact O-CG 3.21Å; K685-E689 PolarHBondContact O-N 3.43Å; E689-I691 PolarHBondContact O-N 2.98Å; E689-Q692 WeakPolarHBondContact O-CB 3.23Å; E689-Q692 PolarHBondContact O-N 3.29Å; E689-Q692 VanDerWaalsContact O-N 3.11Å; E689-E693 WeakPolarHBondContact O-CG 3.43Å; E689-E693 PolarHBondContact O-N 3.49Å |
| 690 | P | 93.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.3 | -35.1 | 175.6 | -27.1 | 35.7 | 0 | 0 | 0 | 113.7 | I686 E693 R694 | I686-P690 WeakPolarHBondContact O-CD 3.25Å; I686-P690 WeakPolarHBondContact O-CG 3.47Å; P690-E693 PolarHBondContact O-N 2.84Å; P690-R694 VanDerWaalsContact O-CG 3.24Å; P690-R694 WeakPolarHBondContact O-CG 3.22Å; P690-R694 PolarHBondContact O-N 3.33Å |
| 691 | I | 92.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 178.8 | -51.4 | 160.3 | 0 | 0 | 0 | 110 | L638 Y642 I646 L654 F687 G688 E689 E693 R694 H695 | L638-I691 HydrophobicContact CD2-CD1 4.06Å; Y642-I691 HydrophobicContact CD1-CG2 4.46Å; Y642-I691 HydrophobicContact CD2-CG2 4.31Å; Y642-I691 HydrophobicContact CG-CG2 3.94Å; I646-I691 HydrophobicContact CB-CG2 4.47Å; I646-I691 HydrophobicContact CD1-CD1 3.44Å; I646-I691 VanDerWaalsContact CD1-CD1 3.44Å; I646-I691 HydrophobicContact CD1-CG1 4.14Å; I646-I691 HydrophobicContact CG1-CD1 4.42Å; L654-I691 HydrophobicContact CD2-CD1 3.52Å; F687-I691 VanDerWaalsContact O-CD1 3.29Å; F687-I691 WeakPolarHBondContact O-CD1 3.4Å; F687-I691 WeakPolarHBondContact O-CG1 3.37Å; G688-I691 WeakPolarHBondContact O-CB 3.31Å; G688-I691 PolarHBondContact O-N 2.96Å; E689-I691 PolarHBondContact O-N 2.98Å; I691-E693 VanDerWaalsContact C-N 3.31Å; I691-E693 PolarHBondContact O-N 3.11Å; I691-R694 PolarHBondContact O-N 3.35Å; I691-H695 PolarHBondContact O-N 3.3Å |
| 692 | Q | 92.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.7 | -56.7 | -173.6 | -0.4 | 0 | 0 | 110.9 | Y642 G688 E689 H695 R696 | Y642-Q692 HydrophobicContact CE2-CG 3.75Å; Y642-Q692 WeakPolarHBondContact OH-CG 3.41Å; G688-Q692 WeakPolarHBondContact O-CG 3.31Å; G688-Q692 PolarHBondContact O-N 3.47Å; E689-Q692 WeakPolarHBondContact O-CB 3.23Å; E689-Q692 PolarHBondContact O-N 3.29Å; E689-Q692 VanDerWaalsContact O-N 3.11Å; Q692-H695 PolarHBondContact O-N 3.01Å; Q692-R696 WeakPolarHBondContact O-CB 3.44Å; Q692-R696 PolarHBondContact O-N 3.28Å |
| 693 | E | 91.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.8 | -65.2 | -142 | 130.1 | 0 | 0 | 111.2 | E689 P690 I691 H695 R696 E697 K770 | E689-E693 WeakPolarHBondContact O-CG 3.43Å; E689-E693 PolarHBondContact O-N 3.49Å; P690-E693 PolarHBondContact O-N 2.84Å; I691-E693 VanDerWaalsContact C-N 3.31Å; I691-E693 PolarHBondContact O-N 3.11Å; E693-H695 VanDerWaalsContact C-N 3.31Å; E693-H695 PolarHBondContact O-N 2.86Å; E693-R696 PolarHBondContact O-N 3.15Å; E693-R696 IonicContact OE1-NH2 2.9Å; E693-R696 PolarHBondContact OE1-NH2 3.3Å; E693-E697 WeakPolarHBondContact O-CB 3.47Å; E693-E697 WeakPolarHBondContact O-CG 3.32Å; E693-E697 PolarHBondContact O-N 3.46Å; E693-K770 IonicContact OE2-NZ 2.68Å; E693-K770 PolarHBondContact OE2-NZ 3.19Å; E693-K770 VanDerWaalsContact OE2-NZ 3.14Å |
| 694 | R | 93.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 178.5 | -72.6 | 169.5 | -162.2 | 153.2 | 4.8 | 112.1 | Y645 P690 I691 S698 T764 D766 | Y645-R694 HydrophobicContact CD1-CB 4.15Å; P690-R694 VanDerWaalsContact O-CG 3.24Å; P690-R694 WeakPolarHBondContact O-CG 3.22Å; P690-R694 PolarHBondContact O-N 3.33Å; I691-R694 PolarHBondContact O-N 3.35Å; R694-S698 WeakPolarHBondContact O-CB 3.36Å; R694-S698 PolarHBondContact O-N 3.15Å; R694-T764 PolarHBondContact NE-O 2.94Å; R694-T764 PolarHBondContact NH1-O 3.36Å; R694-D766 IonicContact CZ-OD1 2.68Å; R694-D766 IonicContact NE-OD1 2.95Å; R694-D766 PolarHBondContact NE-OD1 3.47Å; R694-D766 IonicContact NH2-OD1 3.49Å; R694-D766 PolarHBondContact NH2-OD1 2.7Å |
| 695 | H | 93.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -57.3 | 174.8 | 174.9 | -81.7 | 0 | 0 | 0 | 111.6 | Y642 Y645 I691 Q692 E693 E697 S698 E699 | Y642-H695 HydrophobicContact CD1-CB 3.76Å; Y642-H695 AromaticContact CD1-CD2 3.87Å; Y642-H695 AromaticContact CD1-CG 3.86Å; Y642-H695 HydrophobicContact CE1-CB 3.65Å; Y642-H695 AromaticContact CE1-CD2 3.94Å; Y642-H695 AromaticContact CE1-CG 3.61Å; Y645-H695 HydrophobicContact CD1-CB 4.46Å; Y645-H695 HydrophobicContact CD2-CB 4Å; Y645-H695 AromaticContact CD2-CD2 3.9Å; Y645-H695 HydrophobicContact CE2-CB 4.05Å; Y645-H695 AromaticContact CE2-CD2 3.34Å; Y645-H695 WeakPolarHBondContact CE2-CD2 3.13Å; Y645-H695 HydrophobicContact CG-CB 4.2Å; Y645-H695 AromaticContact CZ-CD2 3.92Å; I691-H695 PolarHBondContact O-N 3.3Å; Q692-H695 PolarHBondContact O-N 3.01Å; E693-H695 VanDerWaalsContact C-N 3.31Å; E693-H695 PolarHBondContact O-N 2.86Å; H695-E697 VanDerWaalsContact C-N 3.32Å; H695-E697 PolarHBondContact O-N 2.89Å; H695-S698 WeakPolarHBondContact O-CB 3.5Å; H695-S698 PolarHBondContact O-N 3.33Å; H695-S698 VanDerWaalsContact O-N 3.09Å; H695-E699 IonicContact CE1-OE2 3.14Å; H695-E699 PolarHBondContact CE1-OE2 3.46Å; H695-E699 IonicContact ND1-OE2 3.95Å; H695-E699 PolarHBondContact O-N 2.96Å; H695-E699 VanDerWaalsContact O-N 3.13Å |
| 696 | R | 93.2 | Very high | 92.6 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.7 | -48.9 | -180 | -178.8 | -176.5 | 67.3 | -137.9 | -2.3 | 111.4 | Q692 E693 S698 E699 E700 | Q692-R696 WeakPolarHBondContact O-CB 3.44Å; Q692-R696 PolarHBondContact O-N 3.28Å; E693-R696 PolarHBondContact O-N 3.15Å; E693-R696 IonicContact OE1-NH2 2.9Å; E693-R696 PolarHBondContact OE1-NH2 3.3Å; R696-S698 VanDerWaalsContact C-N 3.3Å; R696-S698 PolarHBondContact O-N 3.09Å; R696-E699 PolarHBondContact O-N 2.82Å; R696-E700 HydrophobicContact CG-CG 4.48Å; R696-E700 WeakPolarHBondContact O-CB 3.44Å; R696-E700 PolarHBondContact O-N 3.29Å |
| 697 | E | 93.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -31.8 | -179.6 | -71.4 | -76.2 | 163.5 | 0 | 0 | 112.2 | E693 H695 R701 P767 K770 V771 | E693-E697 WeakPolarHBondContact O-CB 3.47Å; E693-E697 WeakPolarHBondContact O-CG 3.32Å; E693-E697 PolarHBondContact O-N 3.46Å; H695-E697 VanDerWaalsContact C-N 3.32Å; H695-E697 PolarHBondContact O-N 2.89Å; E697-R701 VanDerWaalsContact CB-NH2 3.3Å; E697-R701 WeakPolarHBondContact O-CB 3.38Å; E697-R701 PolarHBondContact O-N 2.88Å; E697-R701 VanDerWaalsContact O-N 3.12Å; E697-R701 PolarHBondContact O-NH2 2.81Å; E697-P767 HydrophobicContact CB-CG 4.32Å; E697-P767 HydrophobicContact CG-CG 4.37Å; E697-K770 VanDerWaalsContact OE2-CA 3.3Å; E697-K770 WeakPolarHBondContact OE2-CA 3.38Å; E697-V771 WeakPolarHBondContact OE2-CG2 3.38Å; E697-V771 PolarHBondContact OE2-N 3.03Å |
| 698 | S | 90.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | Y645 R694 H695 R696 P702 | Y645-S698 VanDerWaalsContact CE1-CB 3.4Å; Y645-S698 PolarHBondContact OH-OG 2.85Å; R694-S698 WeakPolarHBondContact O-CB 3.36Å; R694-S698 PolarHBondContact O-N 3.15Å; H695-S698 WeakPolarHBondContact O-CB 3.5Å; H695-S698 PolarHBondContact O-N 3.33Å; H695-S698 VanDerWaalsContact O-N 3.09Å; R696-S698 VanDerWaalsContact C-N 3.3Å; R696-S698 PolarHBondContact O-N 3.09Å; S698-P702 WeakPolarHBondContact O-CD 3.34Å |
| 699 | E | 90.6 | Very high | 92.8 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.4 | -40.9 | 178.4 | -66.9 | -160.8 | 123.5 | 0 | 0 | 113.3 | H695 R696 | H695-E699 IonicContact CE1-OE2 3.14Å; H695-E699 PolarHBondContact CE1-OE2 3.46Å; H695-E699 IonicContact ND1-OE2 3.95Å; H695-E699 PolarHBondContact O-N 2.96Å; H695-E699 VanDerWaalsContact O-N 3.13Å; R696-E699 PolarHBondContact O-N 2.82Å |
| 700 | E | 93.2 | Very high | 92.8 | Very high | 89 Ų | 89 | 58.3 Ų | 58.3 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86.4 | -32.2 | -172.6 | -69.2 | -178 | 175.9 | 0 | 0 | 113.2 | R696 R703 A704 V771 | R696-E700 HydrophobicContact CG-CG 4.48Å; R696-E700 WeakPolarHBondContact O-CB 3.44Å; R696-E700 PolarHBondContact O-N 3.29Å; E700-R703 WeakPolarHBondContact O-CB 3.07Å; E700-R703 PolarHBondContact O-N 3.42Å; E700-R703 VanDerWaalsContact O-N 3.1Å; E700-A704 PolarHBondContact O-N 3.02Å; E700-V771 HydrophobicContact CB-CG2 3.78Å |
| 701 | R | 93.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 59 Ų | 59 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | -175.3 | -168.5 | -166.2 | -51.1 | 123.4 | 15.8 | 114.2 | E697 R703 A704 F705 Q758 V769 V771 I774 | E697-R701 VanDerWaalsContact CB-NH2 3.3Å; E697-R701 WeakPolarHBondContact O-CB 3.38Å; E697-R701 PolarHBondContact O-N 2.88Å; E697-R701 VanDerWaalsContact O-N 3.12Å; E697-R701 PolarHBondContact O-NH2 2.81Å; R701-R703 VanDerWaalsContact C-N 3.25Å; R701-R703 PolarHBondContact O-N 2.93Å; R701-A704 PolarHBondContact O-N 3.47Å; R701-F705 HydrophobicContact CG-CD2 3.73Å; R701-F705 HydrophobicContact CG-CE2 3.58Å; R701-F705 WeakPolarHBondContact O-CD2 3.37Å; R701-F705 PolarHBondContact O-N 2.81Å; R701-Q758 VanDerWaalsContact NH1-CG 3.31Å; R701-V769 PolarHBondContact NE-O 3.33Å; R701-V771 HydrophobicContact CB-CG2 3.98Å; R701-I774 HydrophobicContact CG-CD1 3.51Å |
| 702 | P | 92.1 | Very high | 92.6 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 175 | -25.2 | 35.6 | 0 | 0 | 0 | 112.7 | S698 F705 E706 | S698-P702 WeakPolarHBondContact O-CD 3.34Å; P702-F705 PolarHBondContact O-N 3.14Å; P702-E706 WeakPolarHBondContact O-CB 3.45Å; P702-E706 PolarHBondContact O-N 2.99Å |
| 703 | R | 93.7 | Very high | 92.6 | Very high | 176 Ų | 176 | 62.1 Ų | 62.1 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.8 | -44.1 | 178.1 | -59.6 | 179.7 | -178 | 164.2 | 3.3 | 111.4 | E700 R701 F705 E706 E707 | E700-R703 WeakPolarHBondContact O-CB 3.07Å; E700-R703 PolarHBondContact O-N 3.42Å; E700-R703 VanDerWaalsContact O-N 3.1Å; R701-R703 VanDerWaalsContact C-N 3.25Å; R701-R703 PolarHBondContact O-N 2.93Å; R703-F705 VanDerWaalsContact C-N 3.33Å; R703-F705 PolarHBondContact O-N 3.25Å; R703-E706 WeakPolarHBondContact O-CB 3.38Å; R703-E706 PolarHBondContact O-N 3.06Å; R703-E707 PolarHBondContact O-N 3.12Å |
| 704 | A | 92.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E700 R701 E707 L708 V771 I774 | E700-A704 PolarHBondContact O-N 3.02Å; R701-A704 PolarHBondContact O-N 3.47Å; A704-E707 PolarHBondContact O-N 3.47Å; A704-L708 PolarHBondContact O-N 3.41Å; A704-V771 HydrophobicContact CB-CG1 4.17Å; A704-I774 HydrophobicContact CB-CB 4.17Å; A704-I774 HydrophobicContact CB-CD1 4.16Å; A704-I774 HydrophobicContact CB-CG2 3.87Å |
| 705 | F | 93.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 174.1 | -84.9 | -51.9 | 0 | 0 | 0 | 113.1 | R701 P702 R703 E707 L708 G709 W750 M751 K754 I755 V769 I774 | R701-F705 HydrophobicContact CG-CD2 3.73Å; R701-F705 HydrophobicContact CG-CE2 3.58Å; R701-F705 WeakPolarHBondContact O-CD2 3.37Å; R701-F705 PolarHBondContact O-N 2.81Å; P702-F705 PolarHBondContact O-N 3.14Å; R703-F705 VanDerWaalsContact C-N 3.33Å; R703-F705 PolarHBondContact O-N 3.25Å; F705-E707 VanDerWaalsContact C-N 3.31Å; F705-E707 PolarHBondContact O-N 3.06Å; F705-L708 HydrophobicContact CD1-CD2 4.44Å; F705-L708 PolarHBondContact O-N 2.92Å; F705-G709 PolarHBondContact O-N 2.87Å; F705-W750 HydrophobicContact CE1-CZ3 4.25Å; F705-M751 HydrophobicContact CB-CE 4.12Å; F705-M751 HydrophobicContact CD1-CE 4.23Å; F705-M751 HydrophobicContact CD1-CG 3.85Å; F705-M751 HydrophobicContact CD1-SD 4.49Å; F705-M751 HydrophobicContact CE1-CG 4.1Å; F705-M751 WeakPolarHBondContact O-CE 3.39Å; F705-K754 HydrophobicContact CZ-CB 4.15Å; F705-I755 HydrophobicContact CD1-CD1 4.18Å; F705-I755 HydrophobicContact CD1-CG1 4.14Å; F705-I755 HydrophobicContact CD2-CD1 4.49Å; F705-I755 HydrophobicContact CD2-CG1 3.99Å; F705-I755 HydrophobicContact CE1-CG1 4.07Å; F705-I755 HydrophobicContact CE2-CG1 3.9Å; F705-I755 HydrophobicContact CG-CD1 4.17Å; F705-I755 HydrophobicContact CG-CG1 4.11Å; F705-I755 HydrophobicContact CZ-CG1 3.94Å; F705-V769 HydrophobicContact CE2-CG1 3.98Å; F705-V769 HydrophobicContact CZ-CG1 3.69Å; F705-I774 HydrophobicContact CD1-CD1 3.92Å; F705-I774 HydrophobicContact CD1-CG1 4.34Å; F705-I774 HydrophobicContact CD1-CG2 4.2Å; F705-I774 HydrophobicContact CD2-CD1 3.71Å; F705-I774 HydrophobicContact CE1-CD1 3.69Å; F705-I774 HydrophobicContact CE1-CG1 3.89Å; F705-I774 HydrophobicContact CE1-CG2 4.45Å; F705-I774 HydrophobicContact CE2-CD1 3.48Å; F705-I774 VanDerWaalsContact CE2-CD1 3.48Å; F705-I774 HydrophobicContact CE2-CG1 4.46Å; F705-I774 HydrophobicContact CG-CD1 3.92Å; F705-I774 HydrophobicContact CZ-CD1 3.47Å; F705-I774 VanDerWaalsContact CZ-CD1 3.47Å; F705-I774 HydrophobicContact CZ-CG1 3.96Å |
| 706 | E | 93.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.1 | -167.5 | -168.4 | 154.5 | 0 | 0 | 111.2 | P702 R703 G709 K710 | P702-E706 WeakPolarHBondContact O-CB 3.45Å; P702-E706 PolarHBondContact O-N 2.99Å; R703-E706 WeakPolarHBondContact O-CB 3.38Å; R703-E706 PolarHBondContact O-N 3.06Å; E706-G709 PolarHBondContact O-N 2.97Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 3.43Å; E706-K710 WeakPolarHBondContact OE1-CE 3.4Å; E706-K710 IonicContact OE1-NZ 3.51Å; E706-K710 PolarHBondContact OE1-NZ 2.79Å |
| 707 | E | 93.3 | Very high | 92 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.8 | -172.1 | 174.9 | -177.3 | 0 | 0 | 112.3 | R703 A704 F705 G709 K710 K711 I778 | R703-E707 PolarHBondContact O-N 3.12Å; A704-E707 PolarHBondContact O-N 3.47Å; F705-E707 VanDerWaalsContact C-N 3.31Å; F705-E707 PolarHBondContact O-N 3.06Å; E707-G709 VanDerWaalsContact C-N 3.26Å; E707-G709 PolarHBondContact O-N 2.74Å; E707-K710 WeakPolarHBondContact O-CB 3.39Å; E707-K710 PolarHBondContact O-N 3.21Å; E707-K710 VanDerWaalsContact O-N 3.16Å; E707-K711 WeakPolarHBondContact O-CG 3.38Å; E707-K711 PolarHBondContact O-N 2.73Å; E707-I778 HydrophobicContact CB-CD1 4.16Å; E707-I778 HydrophobicContact CG-CD1 4.07Å |
| 708 | L | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 173.1 | 178.8 | 59.5 | 0 | 0 | 0 | 111.1 | A704 F705 K710 K711 L712 W750 M751 I774 I778 L781 | A704-L708 PolarHBondContact O-N 3.41Å; F705-L708 HydrophobicContact CD1-CD2 4.44Å; F705-L708 PolarHBondContact O-N 2.92Å; L708-K710 PolarHBondContact O-N 3.16Å; L708-K711 PolarHBondContact O-N 3.3Å; L708-L712 HydrophobicContact CD1-CD1 4.28Å; L708-L712 HydrophobicContact CD1-CG 4.25Å; L708-L712 HydrophobicContact CG-CD1 4.03Å; L708-L712 HydrophobicContact CG-CG 4.45Å; L708-L712 WeakPolarHBondContact O-CB 3.45Å; L708-L712 VanDerWaalsContact O-CG 3.29Å; L708-L712 WeakPolarHBondContact O-CG 3.11Å; L708-L712 PolarHBondContact O-N 3.13Å; L708-W750 HydrophobicContact CD2-CE3 4.31Å; L708-W750 HydrophobicContact CD2-CZ3 3.9Å; L708-M751 HydrophobicContact CB-SD 4.48Å; L708-M751 HydrophobicContact CD2-CB 4.13Å; L708-M751 HydrophobicContact CD2-CG 4.24Å; L708-M751 HydrophobicContact CD2-SD 4.12Å; L708-M751 HydrophobicContact CG-SD 4.09Å; L708-I774 HydrophobicContact CB-CG2 4.2Å; L708-I774 HydrophobicContact CD2-CG2 4.14Å; L708-I778 HydrophobicContact CB-CD1 4Å; L708-I778 HydrophobicContact CB-CG1 3.72Å; L708-I778 HydrophobicContact CD1-CG1 3.69Å; L708-I778 HydrophobicContact CG-CG1 4.24Å; L708-L781 HydrophobicContact CD1-CD2 3.94Å |
| 709 | G | 92.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F705 E706 E707 K711 L712 Q713 | F705-G709 PolarHBondContact O-N 2.87Å; E706-G709 PolarHBondContact O-N 2.97Å; E707-G709 VanDerWaalsContact C-N 3.26Å; E707-G709 PolarHBondContact O-N 2.74Å; G709-K711 PolarHBondContact O-N 2.73Å; G709-L712 PolarHBondContact O-N 2.9Å; G709-Q713 WeakPolarHBondContact O-CB 3.46Å; G709-Q713 WeakPolarHBondContact O-CG 3.38Å; G709-Q713 PolarHBondContact O-N 3.07Å |
| 710 | K | 93.3 | Very high | 91.1 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.8 | -74.5 | 170.3 | -175.8 | 163.8 | 0 | 111.8 | E706 E707 L708 Q713 L714 | E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 3.43Å; E706-K710 WeakPolarHBondContact OE1-CE 3.4Å; E706-K710 IonicContact OE1-NZ 3.51Å; E706-K710 PolarHBondContact OE1-NZ 2.79Å; E707-K710 WeakPolarHBondContact O-CB 3.39Å; E707-K710 PolarHBondContact O-N 3.21Å; E707-K710 VanDerWaalsContact O-N 3.16Å; L708-K710 PolarHBondContact O-N 3.16Å; K710-Q713 PolarHBondContact O-N 3.16Å; K710-L714 PolarHBondContact O-N 3.38Å |
| 711 | K | 90.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 176.9 | -70 | -74.8 | -171.1 | 149.1 | 0 | 112.1 | E707 L708 G709 Q713 L714 Y715 I778 L781 D782 | E707-K711 WeakPolarHBondContact O-CG 3.38Å; E707-K711 PolarHBondContact O-N 2.73Å; L708-K711 PolarHBondContact O-N 3.3Å; G709-K711 PolarHBondContact O-N 2.73Å; K711-Q713 VanDerWaalsContact C-N 3.33Å; K711-Q713 PolarHBondContact O-N 3.42Å; K711-L714 WeakPolarHBondContact O-CB 3.28Å; K711-L714 PolarHBondContact O-N 3.26Å; K711-Y715 WeakPolarHBondContact O-CD2 3.16Å; K711-Y715 PolarHBondContact O-N 3.15Å; K711-I778 HydrophobicContact CG-CG2 4.3Å; K711-L781 HydrophobicContact CB-CD2 3.91Å; K711-D782 IonicContact NZ-OD1 2.81Å; K711-D782 PolarHBondContact NZ-OD1 3.15Å; K711-D782 IonicContact NZ-OD2 3.41Å; K711-D782 PolarHBondContact NZ-OD2 3.19Å |
| 712 | L | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 174.6 | -71.2 | 169.2 | 0 | 0 | 0 | 111.7 | L708 G709 L714 Y715 M716 V744 M748 M751 L781 | L708-L712 HydrophobicContact CD1-CD1 4.28Å; L708-L712 HydrophobicContact CD1-CG 4.25Å; L708-L712 HydrophobicContact CG-CD1 4.03Å; L708-L712 HydrophobicContact CG-CG 4.45Å; L708-L712 WeakPolarHBondContact O-CB 3.45Å; L708-L712 VanDerWaalsContact O-CG 3.29Å; L708-L712 WeakPolarHBondContact O-CG 3.11Å; L708-L712 PolarHBondContact O-N 3.13Å; G709-L712 PolarHBondContact O-N 2.9Å; L712-L714 PolarHBondContact O-N 2.82Å; L712-Y715 PolarHBondContact O-N 3.03Å; L712-M716 WeakPolarHBondContact O-CB 3.41Å; L712-M716 PolarHBondContact O-N 3.42Å; L712-V744 HydrophobicContact CD2-CB 4.5Å; L712-V744 HydrophobicContact CD2-CG1 3.96Å; L712-M748 HydrophobicContact CB-CE 4.36Å; L712-M748 HydrophobicContact CD1-CB 4.22Å; L712-M751 HydrophobicContact CD1-SD 3.83Å; L712-L781 HydrophobicContact CD2-CD1 3.92Å; L712-L781 HydrophobicContact CD2-CD2 3.58Å; L712-L781 HydrophobicContact CD2-CG 4.43Å; L712-L781 HydrophobicContact CG-CD2 3.85Å |
| 713 | Q | 91.1 | Very high | 89.7 | Confident | 121 Ų | 121 | 62 Ų | 62 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -38.5 | 175.5 | -75.5 | -179 | -5.9 | 0 | 0 | 112.7 | G709 K710 K711 M716 K717 | G709-Q713 WeakPolarHBondContact O-CB 3.46Å; G709-Q713 WeakPolarHBondContact O-CG 3.38Å; G709-Q713 PolarHBondContact O-N 3.07Å; K710-Q713 PolarHBondContact O-N 3.16Å; K711-Q713 VanDerWaalsContact C-N 3.33Å; K711-Q713 PolarHBondContact O-N 3.42Å; Q713-M716 PolarHBondContact O-N 3.01Å; Q713-K717 WeakPolarHBondContact O-CB 3.5Å; Q713-K717 WeakPolarHBondContact O-CG 3.34Å; Q713-K717 PolarHBondContact O-N 3.31Å |
| 714 | L | 91.8 | Very high | 89.3 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 176.2 | 178.2 | 67.2 | 0 | 0 | 0 | 111.1 | K710 K711 L712 K717 F718 | K710-L714 PolarHBondContact O-N 3.38Å; K711-L714 WeakPolarHBondContact O-CB 3.28Å; K711-L714 PolarHBondContact O-N 3.26Å; L712-L714 PolarHBondContact O-N 2.82Å; L714-K717 PolarHBondContact O-N 3.39Å; L714-F718 PolarHBondContact O-N 2.85Å |
| 715 | Y | 88.9 | Confident | 88.6 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.5 | -32.3 | -180 | -67 | -58.9 | 0 | 0 | 0 | 112.8 | K711 L712 F718 V719 L781 D782 C785 G786 A789 | K711-Y715 WeakPolarHBondContact O-CD2 3.16Å; K711-Y715 PolarHBondContact O-N 3.15Å; L712-Y715 PolarHBondContact O-N 3.03Å; Y715-F718 WeakPolarHBondContact O-CB 3.24Å; Y715-F718 PolarHBondContact O-N 3.47Å; Y715-V719 WeakPolarHBondContact O-CG2 3.48Å; Y715-V719 PolarHBondContact O-N 3.11Å; Y715-L781 HydrophobicContact CD2-CD1 4.32Å; Y715-L781 HydrophobicContact CD2-CD2 4.1Å; Y715-L781 HydrophobicContact CD2-CG 3.94Å; Y715-L781 HydrophobicContact CE2-CD2 4.32Å; Y715-L781 HydrophobicContact CE2-CG 4Å; Y715-D782 WeakPolarHBondContact CE2-OD1 3.47Å; Y715-D782 PolarHBondContact OH-OD1 3.23Å; Y715-C785 HydrophobicContact CD1-CB 3.55Å; Y715-C785 HydrophobicContact CD2-CB 3.8Å; Y715-C785 HydrophobicContact CE1-CB 3.67Å; Y715-C785 HydrophobicContact CE2-CB 3.92Å; Y715-C785 HydrophobicContact CG-CB 3.64Å; Y715-G786 WeakPolarHBondContact OH-CA 3.25Å; Y715-A789 HydrophobicContact CD1-CB 4.15Å; Y715-A789 HydrophobicContact CE1-CB 4.01Å |
| 716 | M | 88.9 | Confident | 87.7 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 171.8 | -166.1 | 64.6 | 77.9 | 0 | 0 | 111.6 | L712 Q713 F718 V719 D720 V744 M748 | L712-M716 WeakPolarHBondContact O-CB 3.41Å; L712-M716 PolarHBondContact O-N 3.42Å; Q713-M716 PolarHBondContact O-N 3.01Å; M716-F718 VanDerWaalsContact C-N 3.26Å; M716-F718 PolarHBondContact O-N 3.44Å; M716-V719 PolarHBondContact O-N 3.38Å; M716-V719 VanDerWaalsContact O-N 3.16Å; M716-D720 PolarHBondContact O-N 3.07Å; M716-V744 HydrophobicContact CB-CG1 4.48Å; M716-V744 HydrophobicContact CE-CG1 3.61Å; M716-M748 HydrophobicContact CE-CE 4.39Å |
| 717 | K | 88.7 | Confident | 86.5 | Confident | 140 Ų | 140 | 73.4 Ų | 73.4 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.4 | -35.9 | 173.5 | -75.9 | 178 | -178.3 | 179.3 | 0 | 112.4 | Q713 L714 S721 | Q713-K717 WeakPolarHBondContact O-CB 3.5Å; Q713-K717 WeakPolarHBondContact O-CG 3.34Å; Q713-K717 PolarHBondContact O-N 3.31Å; L714-K717 PolarHBondContact O-N 3.39Å; K717-S721 WeakPolarHBondContact O-CB 3.36Å; K717-S721 PolarHBondContact O-N 3.4Å; K717-S721 PolarHBondContact O-OG 2.82Å |
| 718 | F | 86.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 76 Ų | 76 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.4 | 156.6 | -98.6 | 0 | 0 | 0 | 111.5 | L714 Y715 M716 D720 S721 Y722 F729 L732 V737 V740 V788 A789 | L714-F718 PolarHBondContact O-N 2.85Å; Y715-F718 WeakPolarHBondContact O-CB 3.24Å; Y715-F718 PolarHBondContact O-N 3.47Å; M716-F718 VanDerWaalsContact C-N 3.26Å; M716-F718 PolarHBondContact O-N 3.44Å; F718-D720 VanDerWaalsContact C-N 3.35Å; F718-D720 PolarHBondContact O-N 3.32Å; F718-S721 PolarHBondContact O-N 3.49Å; F718-Y722 PolarHBondContact O-N 2.88Å; F718-F729 AromaticContact CD2-CD1 3.87Å; F718-F729 HydrophobicContact CD2-CD1 3.87Å; F718-F729 AromaticContact CD2-CE1 3.69Å; F718-F729 HydrophobicContact CD2-CE1 3.69Å; F718-F729 HydrophobicContact CD2-CE2 4.37Å; F718-F729 HydrophobicContact CD2-CG 4.27Å; F718-F729 AromaticContact CD2-CZ 3.96Å; F718-F729 HydrophobicContact CD2-CZ 3.96Å; F718-F729 AromaticContact CE2-CD1 3.53Å; F718-F729 HydrophobicContact CE2-CD1 3.53Å; F718-F729 AromaticContact CE2-CE1 3.77Å; F718-F729 HydrophobicContact CE2-CE1 3.77Å; F718-F729 HydrophobicContact CE2-CG 4.01Å; F718-F729 HydrophobicContact CE2-CZ 4.45Å; F718-L732 HydrophobicContact CE2-CD1 3.61Å; F718-L732 HydrophobicContact CZ-CD1 3.54Å; F718-V737 HydrophobicContact CE1-CG1 4.4Å; F718-V737 HydrophobicContact CZ-CG2 4.24Å; F718-V740 HydrophobicContact CD1-CG1 4.11Å; F718-V740 HydrophobicContact CE1-CB 4.43Å; F718-V740 HydrophobicContact CE1-CG1 4.04Å; F718-V740 HydrophobicContact CE1-CG2 4.46Å; F718-V788 HydrophobicContact CZ-CG1 4.37Å; F718-A789 HydrophobicContact CD1-CB 4.07Å; F718-A789 HydrophobicContact CD2-CB 3.92Å; F718-A789 HydrophobicContact CE1-CB 4.12Å; F718-A789 HydrophobicContact CE2-CB 3.96Å; F718-A789 HydrophobicContact CG-CB 3.97Å; F718-A789 HydrophobicContact CZ-CB 4.07Å |
| 719 | V | 84.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y715 M716 S721 Y722 K723 V737 V740 E741 | Y715-V719 WeakPolarHBondContact O-CG2 3.48Å; Y715-V719 PolarHBondContact O-N 3.11Å; M716-V719 PolarHBondContact O-N 3.38Å; M716-V719 VanDerWaalsContact O-N 3.16Å; V719-S721 PolarHBondContact O-N 2.91Å; V719-Y722 WeakPolarHBondContact O-CB 3.34Å; V719-Y722 PolarHBondContact O-N 2.98Å; V719-K723 HydrophobicContact CG1-CD 4.31Å; V719-K723 WeakPolarHBondContact O-CG 3.39Å; V719-K723 PolarHBondContact O-N 3.08Å; V719-V737 HydrophobicContact CG1-CG1 4.43Å; V719-V737 HydrophobicContact CG2-CG1 4.25Å; V719-V740 HydrophobicContact CG2-CB 4.5Å; V719-V740 HydrophobicContact CG2-CG1 3.92Å; V719-E741 HydrophobicContact CG1-CB 3.95Å; V719-E741 HydrophobicContact CG1-CG 4.08Å; V719-E741 HydrophobicContact CG2-CB 4.14Å |
| 720 | D | 85.4 | Confident | 83.1 | Confident | 70 Ų | 70 | 81.3 Ų | 81.3 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.2 | -72.4 | -25.2 | 0 | 0 | 0 | 112.3 | M716 F718 Y722 K723 Q724 | M716-D720 PolarHBondContact O-N 3.07Å; F718-D720 VanDerWaalsContact C-N 3.35Å; F718-D720 PolarHBondContact O-N 3.32Å; D720-Y722 VanDerWaalsContact C-N 3.34Å; D720-Y722 PolarHBondContact O-N 3.39Å; D720-K723 PolarHBondContact O-N 3.42Å; D720-Q724 VanDerWaalsContact O-CG 3.31Å; D720-Q724 WeakPolarHBondContact O-CG 3.16Å; D720-Q724 PolarHBondContact O-N 2.93Å |
| 721 | S | 84.9 | Confident | 82 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | K717 F718 V719 Q724 K725 D726 | K717-S721 WeakPolarHBondContact O-CB 3.36Å; K717-S721 PolarHBondContact O-N 3.4Å; K717-S721 PolarHBondContact O-OG 2.82Å; F718-S721 PolarHBondContact O-N 3.49Å; V719-S721 PolarHBondContact O-N 2.91Å; S721-Q724 PolarHBondContact O-N 3.44Å; S721-K725 PolarHBondContact O-N 3.18Å; S721-D726 VanDerWaalsContact O-CB 3.29Å; S721-D726 WeakPolarHBondContact O-CB 3.21Å; S721-D726 PolarHBondContact O-N 3.28Å; S721-D726 VanDerWaalsContact O-N 3.07Å |
| 722 | Y | 82.6 | Confident | 81.4 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 172 | 179.9 | -94.3 | 0 | 0 | 0 | 111.8 | F718 V719 D720 Q724 K725 F729 L732 V737 | F718-Y722 PolarHBondContact O-N 2.88Å; V719-Y722 WeakPolarHBondContact O-CB 3.34Å; V719-Y722 PolarHBondContact O-N 2.98Å; D720-Y722 VanDerWaalsContact C-N 3.34Å; D720-Y722 PolarHBondContact O-N 3.39Å; Y722-Q724 PolarHBondContact O-N 3.3Å; Y722-K725 WeakPolarHBondContact O-CA 3.16Å; Y722-K725 PolarHBondContact O-N 2.82Å; Y722-F729 HydrophobicContact CD2-CB 3.91Å; Y722-F729 VanDerWaalsContact CD2-O 3.31Å; Y722-F729 WeakPolarHBondContact CD2-O 3.45Å; Y722-F729 VanDerWaalsContact CE2-O 3.27Å; Y722-F729 WeakPolarHBondContact CE2-O 3.39Å; Y722-L732 HydrophobicContact CE2-CB 4.12Å; Y722-L732 PolarHBondContact OH-O 2.93Å; Y722-V737 HydrophobicContact CD1-CB 4.05Å; Y722-V737 HydrophobicContact CD1-CG1 3.65Å; Y722-V737 HydrophobicContact CD1-CG2 4.09Å; Y722-V737 HydrophobicContact CD2-CG2 3.89Å; Y722-V737 HydrophobicContact CE1-CB 4.09Å; Y722-V737 HydrophobicContact CE1-CG1 4.18Å; Y722-V737 HydrophobicContact CE1-CG2 4.09Å; Y722-V737 HydrophobicContact CE2-CG2 3.89Å; Y722-V737 HydrophobicContact CG-CB 4.37Å; Y722-V737 HydrophobicContact CG-CG1 3.9Å; Y722-V737 HydrophobicContact CG-CG2 3.98Å |
| 723 | K | 82.4 | Confident | 80.7 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 48% | 0.478 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -31.8 | 176.6 | -73.3 | 176.4 | -179.8 | 175.2 | 0 | 112.9 | V719 D720 K725 E741 | V719-K723 HydrophobicContact CG1-CD 4.31Å; V719-K723 WeakPolarHBondContact O-CG 3.39Å; V719-K723 PolarHBondContact O-N 3.08Å; D720-K723 PolarHBondContact O-N 3.42Å; K723-K725 PolarHBondContact O-N 3.22Å; K723-E741 WeakPolarHBondContact CE-OE2 3.49Å; K723-E741 IonicContact NZ-OE1 3.6Å; K723-E741 PolarHBondContact NZ-OE1 3.28Å; K723-E741 IonicContact NZ-OE2 3.45Å; K723-E741 PolarHBondContact NZ-OE2 3.46Å |
| 724 | Q | 84.2 | Confident | 80.1 | Confident | 160 Ų | 160 | 75.5 Ų | 75.5 | 75% | 0.748 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 3.8 | 173.6 | -68.9 | 175.9 | 25.6 | 0 | 0 | 113.6 | D720 S721 Y722 | D720-Q724 VanDerWaalsContact O-CG 3.31Å; D720-Q724 WeakPolarHBondContact O-CG 3.16Å; D720-Q724 PolarHBondContact O-N 2.93Å; S721-Q724 PolarHBondContact O-N 3.44Å; Y722-Q724 PolarHBondContact O-N 3.3Å |
| 725 | K | 79.2 | Confident | 79.6 | Confident | 188 Ų | 188 | 77.2 Ų | 77.2 | 82% | 0.817 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 39.1 | -179.9 | -55.5 | -179.1 | 178.4 | -179.7 | 0 | 113.6 | S721 Y722 K723 E727 | S721-K725 PolarHBondContact O-N 3.18Å; Y722-K725 WeakPolarHBondContact O-CA 3.16Å; Y722-K725 PolarHBondContact O-N 2.82Å; K723-K725 PolarHBondContact O-N 3.22Å; K725-E727 PolarHBondContact O-N 3.43Å |
| 726 | D | 73.9 | Confident | 79.2 | Confident | 44 Ų | 44 | 78.9 Ų | 78.9 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | trans | -58.4 | 125.7 | 171.1 | -171.9 | -36.4 | 0 | 0 | 0 | 110 | S721 R728 F729 | S721-D726 VanDerWaalsContact O-CB 3.29Å; S721-D726 WeakPolarHBondContact O-CB 3.21Å; S721-D726 PolarHBondContact O-N 3.28Å; S721-D726 VanDerWaalsContact O-N 3.07Å; D726-R728 PolarHBondContact O-N 3.09Å; D726-R728 WeakPolarHBondContact OD1-CB 3.18Å; D726-R728 WeakPolarHBondContact OD1-CG 3.24Å; D726-R728 PolarHBondContact OD1-N 2.94Å; D726-R728 IonicContact OD1-NE 2.71Å; D726-R728 PolarHBondContact OD1-NE 3.36Å; D726-R728 VanDerWaalsContact OD1-NE 3.16Å; D726-R728 IonicContact OD2-CZ 2.68Å; D726-R728 IonicContact OD2-NE 3.39Å; D726-R728 PolarHBondContact OD2-NE 2.96Å; D726-R728 IonicContact OD2-NH2 3.59Å; D726-R728 PolarHBondContact OD2-NH2 3.18Å; D726-F729 HydrophobicContact CB-CD2 4.2Å; D726-F729 PolarHBondContact O-N 3.45Å; D726-F729 VanDerWaalsContact O-N 3.09Å | ||
| 727 | E | 68.3 | Low | 79 | Confident | 155 Ų | 155 | 76.9 Ų | 76.9 | 72% | 0.724 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.6 | -177.7 | -68.4 | -173.1 | 167.3 | 0 | 0 | 112.7 | K725 F729 S730 K793 | K725-E727 PolarHBondContact O-N 3.43Å; E727-F729 VanDerWaalsContact C-N 3.26Å; E727-F729 PolarHBondContact O-N 2.85Å; E727-S730 PolarHBondContact O-OG 3.18Å; E727-K793 WeakPolarHBondContact O-CE 3.38Å; E727-K793 PolarHBondContact O-NZ 2.8Å |
| 728 | R | 68.8 | Low | 78.8 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.3 | -180 | -68.9 | 178.7 | -69.8 | 176.1 | -0.4 | 114 | D726 H731 | D726-R728 PolarHBondContact O-N 3.09Å; D726-R728 WeakPolarHBondContact OD1-CB 3.18Å; D726-R728 WeakPolarHBondContact OD1-CG 3.24Å; D726-R728 PolarHBondContact OD1-N 2.94Å; D726-R728 IonicContact OD1-NE 2.71Å; D726-R728 PolarHBondContact OD1-NE 3.36Å; D726-R728 VanDerWaalsContact OD1-NE 3.16Å; D726-R728 IonicContact OD2-CZ 2.68Å; D726-R728 IonicContact OD2-NE 3.39Å; D726-R728 PolarHBondContact OD2-NE 2.96Å; D726-R728 IonicContact OD2-NH2 3.59Å; D726-R728 PolarHBondContact OD2-NH2 3.18Å; R728-H731 PolarHBondContact O-CE1 3.09Å; R728-H731 PolarHBondContact O-ND1 3.29Å |
| 729 | F | 72.3 | Confident | 78.7 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -120 | 6.6 | -173.6 | -54.6 | -65 | 0 | 0 | 0 | 113.4 | F718 Y722 D726 E727 H731 L732 | F718-F729 AromaticContact CD2-CD1 3.87Å; F718-F729 HydrophobicContact CD2-CD1 3.87Å; F718-F729 AromaticContact CD2-CE1 3.69Å; F718-F729 HydrophobicContact CD2-CE1 3.69Å; F718-F729 HydrophobicContact CD2-CE2 4.37Å; F718-F729 HydrophobicContact CD2-CG 4.27Å; F718-F729 AromaticContact CD2-CZ 3.96Å; F718-F729 HydrophobicContact CD2-CZ 3.96Å; F718-F729 AromaticContact CE2-CD1 3.53Å; F718-F729 HydrophobicContact CE2-CD1 3.53Å; F718-F729 AromaticContact CE2-CE1 3.77Å; F718-F729 HydrophobicContact CE2-CE1 3.77Å; F718-F729 HydrophobicContact CE2-CG 4.01Å; F718-F729 HydrophobicContact CE2-CZ 4.45Å; Y722-F729 HydrophobicContact CD2-CB 3.91Å; Y722-F729 VanDerWaalsContact CD2-O 3.31Å; Y722-F729 WeakPolarHBondContact CD2-O 3.45Å; Y722-F729 VanDerWaalsContact CE2-O 3.27Å; Y722-F729 WeakPolarHBondContact CE2-O 3.39Å; D726-F729 HydrophobicContact CB-CD2 4.2Å; D726-F729 PolarHBondContact O-N 3.45Å; D726-F729 VanDerWaalsContact O-N 3.09Å; E727-F729 VanDerWaalsContact C-N 3.26Å; E727-F729 PolarHBondContact O-N 2.85Å; F729-H731 PolarHBondContact O-N 2.89Å; F729-H731 VanDerWaalsContact O-N 3.13Å; F729-L732 HydrophobicContact CB-CD1 4.15Å; F729-L732 HydrophobicContact CD1-CD1 4.11Å; F729-L732 PolarHBondContact O-N 3.06Å; F729-L732 VanDerWaalsContact O-N 3.17Å |
| 730 | S | 65.9 | Low | 78.8 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.6 | -175.9 | 65 | 0 | 0 | 0 | 0 | 114.9 | E727 | E727-S730 PolarHBondContact O-OG 3.18Š|
| 731 | H | 71.3 | Confident | 78.9 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.6 | 178.5 | 63.2 | -71.4 | 0 | 0 | 0 | 113.8 | R728 F729 R791 K793 | R728-H731 PolarHBondContact O-CE1 3.09Å; R728-H731 PolarHBondContact O-ND1 3.29Å; F729-H731 PolarHBondContact O-N 2.89Å; F729-H731 VanDerWaalsContact O-N 3.13Å; H731-R791 PolarHBondContact NE2-O 2.73Å; H731-K793 HydrophobicContact CB-CG 4.29Å; H731-K793 VanDerWaalsContact ND1-CG 3.3Å; H731-K793 WeakPolarHBondContact ND1-CG 3.46Å |
| 732 | L | 77.3 | Confident | 79.1 | Confident | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -84.7 | 139.6 | 179.8 | -58.8 | 178.8 | 0 | 0 | 0 | 110.8 | F718 Y722 F729 V737 R791 | F718-L732 HydrophobicContact CE2-CD1 3.61Å; F718-L732 HydrophobicContact CZ-CD1 3.54Å; Y722-L732 HydrophobicContact CE2-CB 4.12Å; Y722-L732 PolarHBondContact OH-O 2.93Å; F729-L732 HydrophobicContact CB-CD1 4.15Å; F729-L732 HydrophobicContact CD1-CD1 4.11Å; F729-L732 PolarHBondContact O-N 3.06Å; F729-L732 VanDerWaalsContact O-N 3.17Å; L732-V737 HydrophobicContact CB-CG2 3.93Å; L732-V737 HydrophobicContact CD1-CG2 4.36Å; L732-R791 HydrophobicContact CD2-CB 3.93Å; L732-R791 HydrophobicContact CD2-CG 4.45Å |
| 733 | S | 77.9 | Confident | 79.4 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | trans | -67.5 | 140.8 | 178.9 | 67.6 | 0 | 0 | 0 | 0 | 110.5 | E735 D736 V737 | S733-E735 WeakPolarHBondContact CB-OE2 3.45Å; S733-E735 PolarHBondContact O-N 3.09Å; S733-D736 PolarHBondContact O-N 3.25Å; S733-D736 WeakPolarHBondContact OG-CB 3.25Å; S733-D736 PolarHBondContact OG-N 2.68Å; S733-D736 VanDerWaalsContact OG-N 3.13Å; S733-D736 PolarHBondContact OG-OD1 3.02Å; S733-D736 PolarHBondContact OG-OD2 2.83Å; S733-V737 PolarHBondContact O-N 3.02Å | ||
| 734 | P | 79 | Confident | 79.8 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.3 | -32.7 | 174 | -25.8 | 34.5 | 0 | 0 | 0 | 112.8 | S738 | P734-S738 VanDerWaalsContact O-CB 3.23Å; P734-S738 WeakPolarHBondContact O-CB 3.35Å; P734-S738 PolarHBondContact O-N 3.14Å |
| 735 | E | 79.5 | Confident | 80.1 | Confident | 135 Ų | 135 | 69.7 Ų | 69.7 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 178.2 | -62.5 | 74.8 | -160.9 | 0 | 0 | 112.2 | S733 S738 A739 | S733-E735 WeakPolarHBondContact CB-OE2 3.45Å; S733-E735 PolarHBondContact O-N 3.09Å; E735-S738 PolarHBondContact O-N 3.46Å; E735-A739 WeakPolarHBondContact O-CB 3.37Å; E735-A739 PolarHBondContact O-N 2.83Å |
| 736 | D | 81.9 | Confident | 80.7 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | -179.9 | -71.7 | -6.9 | 0 | 0 | 0 | 110.7 | S733 A739 V740 V788 R791 | S733-D736 PolarHBondContact O-N 3.25Å; S733-D736 WeakPolarHBondContact OG-CB 3.25Å; S733-D736 PolarHBondContact OG-N 2.68Å; S733-D736 VanDerWaalsContact OG-N 3.13Å; S733-D736 PolarHBondContact OG-OD1 3.02Å; S733-D736 PolarHBondContact OG-OD2 2.83Å; D736-A739 WeakPolarHBondContact O-CB 3.46Å; D736-A739 PolarHBondContact O-N 3.14Å; D736-V740 WeakPolarHBondContact O-CG2 2.94Å; D736-V740 PolarHBondContact O-N 3.43Å; D736-V788 HydrophobicContact CB-CG1 3.84Å; D736-V788 HydrophobicContact CB-CG2 4.36Å; D736-R791 IonicContact OD2-CZ 3.16Å; D736-R791 IonicContact OD2-NH1 2.71Å; D736-R791 PolarHBondContact OD2-NH1 3.19Å; D736-R791 IonicContact OD2-NH2 2.75Å |
| 737 | V | 83.4 | Confident | 81.5 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | F718 V719 Y722 L732 S733 A739 V740 E741 | F718-V737 HydrophobicContact CE1-CG1 4.4Å; F718-V737 HydrophobicContact CZ-CG2 4.24Å; V719-V737 HydrophobicContact CG1-CG1 4.43Å; V719-V737 HydrophobicContact CG2-CG1 4.25Å; Y722-V737 HydrophobicContact CD1-CB 4.05Å; Y722-V737 HydrophobicContact CD1-CG1 3.65Å; Y722-V737 HydrophobicContact CD1-CG2 4.09Å; Y722-V737 HydrophobicContact CD2-CG2 3.89Å; Y722-V737 HydrophobicContact CE1-CB 4.09Å; Y722-V737 HydrophobicContact CE1-CG1 4.18Å; Y722-V737 HydrophobicContact CE1-CG2 4.09Å; Y722-V737 HydrophobicContact CE2-CG2 3.89Å; Y722-V737 HydrophobicContact CG-CB 4.37Å; Y722-V737 HydrophobicContact CG-CG1 3.9Å; Y722-V737 HydrophobicContact CG-CG2 3.98Å; L732-V737 HydrophobicContact CB-CG2 3.93Å; L732-V737 HydrophobicContact CD1-CG2 4.36Å; S733-V737 PolarHBondContact O-N 3.02Å; V737-A739 VanDerWaalsContact C-N 3.3Å; V737-A739 PolarHBondContact O-N 3.11Å; V737-V740 PolarHBondContact O-N 3.23Å; V737-E741 PolarHBondContact O-N 3.48Å |
| 738 | S | 84.4 | Confident | 82.6 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -34 | 173 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | P734 E735 K742 | P734-S738 VanDerWaalsContact O-CB 3.23Å; P734-S738 WeakPolarHBondContact O-CB 3.35Å; P734-S738 PolarHBondContact O-N 3.14Å; E735-S738 PolarHBondContact O-N 3.46Å; S738-K742 WeakPolarHBondContact O-CB 3.39Å; S738-K742 PolarHBondContact O-N 3.37Å |
| 739 | A | 85.1 | Confident | 83.7 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | E735 D736 V737 K742 F743 | E735-A739 WeakPolarHBondContact O-CB 3.37Å; E735-A739 PolarHBondContact O-N 2.83Å; D736-A739 WeakPolarHBondContact O-CB 3.46Å; D736-A739 PolarHBondContact O-N 3.14Å; V737-A739 VanDerWaalsContact C-N 3.3Å; V737-A739 PolarHBondContact O-N 3.11Å; A739-K742 PolarHBondContact O-N 3.12Å; A739-F743 WeakPolarHBondContact O-CB 3.25Å; A739-F743 PolarHBondContact O-N 3.34Å |
| 740 | V | 86.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 172.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | F718 V719 D736 V737 K742 F743 V744 C785 V788 | F718-V740 HydrophobicContact CD1-CG1 4.11Å; F718-V740 HydrophobicContact CE1-CB 4.43Å; F718-V740 HydrophobicContact CE1-CG1 4.04Å; F718-V740 HydrophobicContact CE1-CG2 4.46Å; V719-V740 HydrophobicContact CG2-CB 4.5Å; V719-V740 HydrophobicContact CG2-CG1 3.92Å; D736-V740 WeakPolarHBondContact O-CG2 2.94Å; D736-V740 PolarHBondContact O-N 3.43Å; V737-V740 PolarHBondContact O-N 3.23Å; V740-K742 VanDerWaalsContact C-N 3.33Å; V740-K742 PolarHBondContact O-N 2.92Å; V740-F743 PolarHBondContact O-N 3.42Å; V740-V744 HydrophobicContact CG1-CG2 4.15Å; V740-V744 WeakPolarHBondContact O-CB 3.26Å; V740-V744 WeakPolarHBondContact O-CG2 2.92Å; V740-V744 PolarHBondContact O-N 2.85Å; V740-C785 HydrophobicContact CG1-CB 4.01Å; V740-C785 HydrophobicContact CG2-CB 4.45Å; V740-V788 HydrophobicContact CG2-CB 3.7Å; V740-V788 HydrophobicContact CG2-CG1 3.82Å; V740-V788 HydrophobicContact CG2-CG2 4Å |
| 741 | E | 88.2 | Confident | 86 | Confident | 61 Ų | 61 | 52 Ų | 52 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.1 | -177.6 | 171.7 | -173.5 | 0 | 0 | 112.2 | V719 K723 V737 T745 | V719-E741 HydrophobicContact CG1-CB 3.95Å; V719-E741 HydrophobicContact CG1-CG 4.08Å; V719-E741 HydrophobicContact CG2-CB 4.14Å; K723-E741 WeakPolarHBondContact CE-OE2 3.49Å; K723-E741 IonicContact NZ-OE1 3.6Å; K723-E741 PolarHBondContact NZ-OE1 3.28Å; K723-E741 IonicContact NZ-OE2 3.45Å; K723-E741 PolarHBondContact NZ-OE2 3.46Å; V737-E741 PolarHBondContact O-N 3.48Å; E741-T745 WeakPolarHBondContact O-CB 3.43Å; E741-T745 PolarHBondContact O-N 3.35Å; E741-T745 PolarHBondContact O-OG1 3.48Å |
| 742 | K | 89.4 | Confident | 87 | Confident | 131 Ų | 131 | 53.3 Ų | 53.3 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 176.6 | -177.6 | 178.6 | 171.8 | -176.1 | 0 | 111.2 | S738 A739 V740 T745 E746 | S738-K742 WeakPolarHBondContact O-CB 3.39Å; S738-K742 PolarHBondContact O-N 3.37Å; A739-K742 PolarHBondContact O-N 3.12Å; V740-K742 VanDerWaalsContact C-N 3.33Å; V740-K742 PolarHBondContact O-N 2.92Å; K742-T745 PolarHBondContact O-N 2.9Å; K742-E746 WeakPolarHBondContact CE-OE1 3.35Å; K742-E746 IonicContact NZ-OE1 3.72Å; K742-E746 WeakPolarHBondContact O-CG 3.33Å; K742-E746 PolarHBondContact O-N 3.19Å |
| 743 | F | 89.5 | Confident | 87.7 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | -177.5 | -166.7 | -92.3 | 0 | 0 | 0 | 112.9 | A739 V740 E746 S747 E780 L781 V784 | A739-F743 WeakPolarHBondContact O-CB 3.25Å; A739-F743 PolarHBondContact O-N 3.34Å; V740-F743 PolarHBondContact O-N 3.42Å; F743-E746 PolarHBondContact O-N 3.39Å; F743-S747 WeakPolarHBondContact CE1-OG 3.38Å; F743-S747 VanDerWaalsContact O-CB 3.24Å; F743-S747 WeakPolarHBondContact O-CB 3.43Å; F743-S747 PolarHBondContact O-N 2.93Å; F743-S747 PolarHBondContact O-OG 2.89Å; F743-E780 HydrophobicContact CZ-CG 3.86Å; F743-E780 WeakPolarHBondContact CZ-OE1 3.48Å; F743-L781 HydrophobicContact CD1-CD1 3.78Å; F743-L781 HydrophobicContact CE1-CB 4.31Å; F743-L781 HydrophobicContact CE1-CD1 3.93Å; F743-V784 HydrophobicContact CB-CG1 4.34Å; F743-V784 HydrophobicContact CD1-CB 4.27Å; F743-V784 HydrophobicContact CD1-CG1 4.18Å; F743-V784 HydrophobicContact CD2-CG1 4.3Å; F743-V784 HydrophobicContact CE1-CB 4.31Å; F743-V784 HydrophobicContact CE1-CG2 4.48Å; F743-V784 HydrophobicContact CE2-CG2 4.4Å; F743-V784 HydrophobicContact CG-CG1 4Å; F743-V784 HydrophobicContact CZ-CG2 4.27Å |
| 744 | V | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | L712 M716 V740 S747 M748 L781 | L712-V744 HydrophobicContact CD2-CB 4.5Å; L712-V744 HydrophobicContact CD2-CG1 3.96Å; M716-V744 HydrophobicContact CB-CG1 4.48Å; M716-V744 HydrophobicContact CE-CG1 3.61Å; V740-V744 HydrophobicContact CG1-CG2 4.15Å; V740-V744 WeakPolarHBondContact O-CB 3.26Å; V740-V744 WeakPolarHBondContact O-CG2 2.92Å; V740-V744 PolarHBondContact O-N 2.85Å; V744-S747 PolarHBondContact O-N 3.18Å; V744-M748 VanDerWaalsContact O-CB 3.27Å; V744-M748 WeakPolarHBondContact O-CB 3.42Å; V744-M748 PolarHBondContact O-N 3.29Å; V744-L781 HydrophobicContact CG2-CD1 4.21Å |
| 745 | T | 90.5 | Very high | 89 | Confident | 78 Ų | 78 | 58 Ų | 58 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | E741 K742 M748 G749 | E741-T745 WeakPolarHBondContact O-CB 3.43Å; E741-T745 PolarHBondContact O-N 3.35Å; E741-T745 PolarHBondContact O-OG1 3.48Å; K742-T745 PolarHBondContact O-N 2.9Å; T745-M748 PolarHBondContact O-N 3.09Å; T745-G749 PolarHBondContact O-N 3.26Å |
| 746 | E | 91.8 | Very high | 89.5 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.2 | -74.3 | 175 | 179.6 | 0 | 0 | 111.7 | K742 F743 G749 W750 | K742-E746 WeakPolarHBondContact CE-OE1 3.35Å; K742-E746 IonicContact NZ-OE1 3.72Å; K742-E746 WeakPolarHBondContact O-CG 3.33Å; K742-E746 PolarHBondContact O-N 3.19Å; F743-E746 PolarHBondContact O-N 3.39Å; E746-G749 PolarHBondContact O-N 3.11Å; E746-W750 PolarHBondContact O-N 3.3Å |
| 747 | S | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 178.5 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | F743 V744 W750 M751 | F743-S747 WeakPolarHBondContact CE1-OG 3.38Å; F743-S747 VanDerWaalsContact O-CB 3.24Å; F743-S747 WeakPolarHBondContact O-CB 3.43Å; F743-S747 PolarHBondContact O-N 2.93Å; F743-S747 PolarHBondContact O-OG 2.89Å; V744-S747 PolarHBondContact O-N 3.18Å; S747-W750 PolarHBondContact O-N 3.31Å; S747-M751 WeakPolarHBondContact O-CB 3.32Å; S747-M751 PolarHBondContact O-N 2.68Å |
| 748 | M | 91.4 | Very high | 90.2 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 171.8 | -173.2 | 176.7 | -72.8 | 0 | 0 | 111.5 | L712 M716 V744 T745 M751 N752 | L712-M748 HydrophobicContact CB-CE 4.36Å; L712-M748 HydrophobicContact CD1-CB 4.22Å; M716-M748 HydrophobicContact CE-CE 4.39Å; V744-M748 VanDerWaalsContact O-CB 3.27Å; V744-M748 WeakPolarHBondContact O-CB 3.42Å; V744-M748 PolarHBondContact O-N 3.29Å; T745-M748 PolarHBondContact O-N 3.09Å; M748-M751 PolarHBondContact O-N 3.49Å; M748-N752 WeakPolarHBondContact O-CB 3.12Å; M748-N752 PolarHBondContact O-N 3.47Å; M748-N752 PolarHBondContact O-ND2 2.92Å |
| 749 | G | 91.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T745 E746 N753 | T745-G749 PolarHBondContact O-N 3.26Å; E746-G749 PolarHBondContact O-N 3.11Å; G749-N753 VanDerWaalsContact O-CB 3.29Å; G749-N753 WeakPolarHBondContact O-CB 3.49Å; G749-N753 PolarHBondContact O-N 2.8Å |
| 750 | W | 94.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 174.2 | 178.5 | 92.8 | 0 | 0 | 0 | 111.8 | F705 L708 E746 S747 N752 N753 K754 V769 I774 K777 | F705-W750 HydrophobicContact CE1-CZ3 4.25Å; L708-W750 HydrophobicContact CD2-CE3 4.31Å; L708-W750 HydrophobicContact CD2-CZ3 3.9Å; E746-W750 PolarHBondContact O-N 3.3Å; S747-W750 PolarHBondContact O-N 3.31Å; W750-N752 PolarHBondContact O-N 3.07Å; W750-N753 PolarHBondContact O-N 3.29Å; W750-K754 HydrophobicContact CD2-CG 3.96Å; W750-K754 HydrophobicContact CE3-CG 4.42Å; W750-K754 HydrophobicContact CG-CG 4.44Å; W750-K754 HydrophobicContact CH2-CG 4.28Å; W750-K754 HydrophobicContact CZ2-CG 3.81Å; W750-K754 WeakPolarHBondContact O-CB 3.28Å; W750-K754 WeakPolarHBondContact O-CG 3.31Å; W750-K754 PolarHBondContact O-N 3.41Å; W750-V769 HydrophobicContact CH2-CG2 3.92Å; W750-V769 HydrophobicContact CZ2-CG2 4.07Å; W750-I774 HydrophobicContact CH2-CG1 4.27Å; W750-K777 HydrophobicContact CD2-CD 4.47Å; W750-K777 HydrophobicContact CD2-CG 4.42Å; W750-K777 HydrophobicContact CE3-CD 4.47Å; W750-K777 HydrophobicContact CE3-CG 3.94Å; W750-K777 HydrophobicContact CH2-CB 4.17Å; W750-K777 HydrophobicContact CH2-CG 4.37Å; W750-K777 HydrophobicContact CZ3-CB 4.07Å; W750-K777 HydrophobicContact CZ3-CG 3.92Å |
| 751 | M | 91.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 178.4 | 174.8 | 177.7 | 173.7 | 0 | 0 | 110.9 | F705 L708 L712 S747 M748 N753 K754 I755 | F705-M751 HydrophobicContact CB-CE 4.12Å; F705-M751 HydrophobicContact CD1-CE 4.23Å; F705-M751 HydrophobicContact CD1-CG 3.85Å; F705-M751 HydrophobicContact CD1-SD 4.49Å; F705-M751 HydrophobicContact CE1-CG 4.1Å; F705-M751 WeakPolarHBondContact O-CE 3.39Å; L708-M751 HydrophobicContact CB-SD 4.48Å; L708-M751 HydrophobicContact CD2-CB 4.13Å; L708-M751 HydrophobicContact CD2-CG 4.24Å; L708-M751 HydrophobicContact CD2-SD 4.12Å; L708-M751 HydrophobicContact CG-SD 4.09Å; L712-M751 HydrophobicContact CD1-SD 3.83Å; S747-M751 WeakPolarHBondContact O-CB 3.32Å; S747-M751 PolarHBondContact O-N 2.68Å; M748-M751 PolarHBondContact O-N 3.49Å; M751-N753 PolarHBondContact O-N 3.24Å; M751-K754 PolarHBondContact O-N 2.62Å; M751-I755 HydrophobicContact CE-CD1 3.69Å; M751-I755 HydrophobicContact CG-CD1 3.73Å; M751-I755 HydrophobicContact CG-CG1 4.47Å; M751-I755 WeakPolarHBondContact O-CB 3.46Å; M751-I755 VanDerWaalsContact O-CG1 3.29Å; M751-I755 WeakPolarHBondContact O-CG1 3.23Å; M751-I755 PolarHBondContact O-N 3.04Å |
| 752 | N | 91.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.4 | -73 | -29 | 0 | 0 | 0 | 112.3 | M748 W750 N756 | M748-N752 WeakPolarHBondContact O-CB 3.12Å; M748-N752 PolarHBondContact O-N 3.47Å; M748-N752 PolarHBondContact O-ND2 2.92Å; W750-N752 PolarHBondContact O-N 3.07Å; N752-N756 VanDerWaalsContact O-CB 3.29Å; N752-N756 WeakPolarHBondContact O-CB 3.44Å; N752-N756 VanDerWaalsContact O-CG 3.26Å; N752-N756 PolarHBondContact O-N 3.01Å; N752-N756 PolarHBondContact O-ND2 3.1Å |
| 753 | N | 93.3 | Very high | 90.5 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.1 | -49.6 | 175.3 | -175.4 | -26.4 | 0 | 0 | 0 | 110.7 | G749 W750 M751 N756 A757 | G749-N753 VanDerWaalsContact O-CB 3.29Å; G749-N753 WeakPolarHBondContact O-CB 3.49Å; G749-N753 PolarHBondContact O-N 2.8Å; W750-N753 PolarHBondContact O-N 3.29Å; M751-N753 PolarHBondContact O-N 3.24Å; N753-N756 PolarHBondContact O-N 3.23Å; N753-A757 WeakPolarHBondContact O-CB 3.43Å; N753-A757 PolarHBondContact O-N 3.27Å |
| 754 | K | 92.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | -179.4 | -71.4 | -60.1 | -162.2 | 161.4 | 0 | 113.2 | F705 W750 M751 A757 Q758 V768 V769 | F705-K754 HydrophobicContact CZ-CB 4.15Å; W750-K754 HydrophobicContact CD2-CG 3.96Å; W750-K754 HydrophobicContact CE3-CG 4.42Å; W750-K754 HydrophobicContact CG-CG 4.44Å; W750-K754 HydrophobicContact CH2-CG 4.28Å; W750-K754 HydrophobicContact CZ2-CG 3.81Å; W750-K754 WeakPolarHBondContact O-CB 3.28Å; W750-K754 WeakPolarHBondContact O-CG 3.31Å; W750-K754 PolarHBondContact O-N 3.41Å; M751-K754 PolarHBondContact O-N 2.62Å; K754-A757 PolarHBondContact O-N 2.9Å; K754-Q758 VanDerWaalsContact O-CB 3.22Å; K754-Q758 WeakPolarHBondContact O-CB 3.5Å; K754-Q758 PolarHBondContact O-N 2.99Å; K754-V768 HydrophobicContact CD-CG1 4.43Å; K754-V768 PolarHBondContact NZ-O 3.01Å; K754-V769 HydrophobicContact CB-CB 4.49Å; K754-V769 HydrophobicContact CB-CG1 4.23Å; K754-V769 HydrophobicContact CD-CB 4.19Å |
| 755 | I | 90.7 | Very high | 90.3 | Very high | 63 Ų | 63 | 69 Ų | 69 | 32% | 0.323 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 173.5 | -71.4 | 170.8 | 0 | 0 | 0 | 110.6 | F705 M751 Q758 S759 | F705-I755 HydrophobicContact CD1-CD1 4.18Å; F705-I755 HydrophobicContact CD1-CG1 4.14Å; F705-I755 HydrophobicContact CD2-CD1 4.49Å; F705-I755 HydrophobicContact CD2-CG1 3.99Å; F705-I755 HydrophobicContact CE1-CG1 4.07Å; F705-I755 HydrophobicContact CE2-CG1 3.9Å; F705-I755 HydrophobicContact CG-CD1 4.17Å; F705-I755 HydrophobicContact CG-CG1 4.11Å; F705-I755 HydrophobicContact CZ-CG1 3.94Å; M751-I755 HydrophobicContact CE-CD1 3.69Å; M751-I755 HydrophobicContact CG-CD1 3.73Å; M751-I755 HydrophobicContact CG-CG1 4.47Å; M751-I755 WeakPolarHBondContact O-CB 3.46Å; M751-I755 VanDerWaalsContact O-CG1 3.29Å; M751-I755 WeakPolarHBondContact O-CG1 3.23Å; M751-I755 PolarHBondContact O-N 3.04Å; I755-Q758 PolarHBondContact O-N 3.1Å; I755-S759 PolarHBondContact O-N 3.19Å |
| 756 | N | 90.3 | Very high | 90.2 | Very high | 92 Ų | 92 | 70.2 Ų | 70.2 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 179.1 | -78 | -48.1 | 0 | 0 | 0 | 112 | N752 N753 Q758 S759 | N752-N756 VanDerWaalsContact O-CB 3.29Å; N752-N756 WeakPolarHBondContact O-CB 3.44Å; N752-N756 VanDerWaalsContact O-CG 3.26Å; N752-N756 PolarHBondContact O-N 3.01Å; N752-N756 PolarHBondContact O-ND2 3.1Å; N753-N756 PolarHBondContact O-N 3.23Å; N756-Q758 VanDerWaalsContact C-N 3.34Å; N756-S759 PolarHBondContact O-N 2.65Å; N756-S759 PolarHBondContact O-OG 2.86Å |
| 757 | A | 89.7 | Confident | 90.1 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | N753 K754 S759 R760 T761 V768 | N753-A757 WeakPolarHBondContact O-CB 3.43Å; N753-A757 PolarHBondContact O-N 3.27Å; K754-A757 PolarHBondContact O-N 2.9Å; A757-S759 VanDerWaalsContact C-N 3.34Å; A757-S759 PolarHBondContact O-N 3.44Å; A757-R760 PolarHBondContact O-N 3.42Å; A757-T761 PolarHBondContact O-OG1 3.34Å; A757-V768 HydrophobicContact CB-CG1 3.79Å |
| 758 | Q | 89.8 | Confident | 90 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.7 | -176.6 | 58.8 | 60.8 | 0 | 0 | 113 | R701 K754 I755 N756 R760 T761 | R701-Q758 VanDerWaalsContact NH1-CG 3.31Å; K754-Q758 VanDerWaalsContact O-CB 3.22Å; K754-Q758 WeakPolarHBondContact O-CB 3.5Å; K754-Q758 PolarHBondContact O-N 2.99Å; I755-Q758 PolarHBondContact O-N 3.1Å; N756-Q758 VanDerWaalsContact C-N 3.34Å; Q758-R760 PolarHBondContact O-N 3.46Å; Q758-T761 PolarHBondContact O-N 2.99Å; Q758-T761 VanDerWaalsContact O-N 3.16Å |
| 759 | S | 88.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.7 | -18.3 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | I755 N756 A757 | I755-S759 PolarHBondContact O-N 3.19Å; N756-S759 PolarHBondContact O-N 2.65Å; N756-S759 PolarHBondContact O-OG 2.86Å; A757-S759 VanDerWaalsContact C-N 3.34Å; A757-S759 PolarHBondContact O-N 3.44Å |
| 760 | R | 89.1 | Confident | 90 | Very high | 218 Ų | 218 | 67.5 Ų | 67.5 | 82% | 0.823 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.1 | 178 | -62.7 | 179.2 | -173.7 | -163.6 | 1.5 | 113.3 | A757 Q758 | A757-R760 PolarHBondContact O-N 3.42Å; Q758-R760 PolarHBondContact O-N 3.46Å |
| 761 | T | 88.4 | Confident | 89.9 | Confident | 33 Ų | 33 | 65 Ų | 65 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -93.1 | 134.3 | -179.7 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | A757 Q758 Q765 V768 | A757-T761 PolarHBondContact O-OG1 3.34Å; Q758-T761 PolarHBondContact O-N 2.99Å; Q758-T761 VanDerWaalsContact O-N 3.16Å; T761-Q765 HydrophobicContact CG2-CB 3.78Å; T761-V768 HydrophobicContact CG2-CG2 4.43Å; T761-V768 WeakPolarHBondContact OG1-CG2 3.29Å |
| 762 | A | 87.3 | Confident | 89.9 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | trans | -62.8 | 144 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T764 Q765 | A762-T764 PolarHBondContact O-N 3.21Å; A762-T764 VanDerWaalsContact O-N 3.09Å; A762-Q765 HydrophobicContact CB-CG 4.26Å; A762-Q765 PolarHBondContact O-N 2.99Å | ||
| 763 | I | 87.1 | Confident | 90 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 41% | 0.41 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18 | 179.1 | -165.3 | 168 | 0 | 0 | 0 | 113 | K644 Y645 | K644-I763 WeakPolarHBondContact O-CG2 3.29Å; Y645-I763 HydrophobicContact CD1-CD1 4Å; Y645-I763 HydrophobicContact CD1-CG1 3.56Å; Y645-I763 HydrophobicContact CE1-CD1 3.43Å; Y645-I763 VanDerWaalsContact CE1-CD1 3.43Å; Y645-I763 HydrophobicContact CE1-CG1 3.44Å; Y645-I763 VanDerWaalsContact CE1-CG1 3.44Å |
| 764 | T | 88 | Confident | 89.9 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.8 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | I646 R694 A762 | I646-T764 WeakPolarHBondContact O-CG2 3.43Å; R694-T764 PolarHBondContact NE-O 2.94Å; R694-T764 PolarHBondContact NH1-O 3.36Å; A762-T764 PolarHBondContact O-N 3.21Å; A762-T764 VanDerWaalsContact O-N 3.09Å |
| 765 | Q | 88.7 | Confident | 89.9 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -104.6 | 161.5 | 176.8 | -70.3 | -177.9 | -13.2 | 0 | 0 | 111 | T761 A762 | T761-Q765 HydrophobicContact CG2-CB 3.78Å; A762-Q765 HydrophobicContact CB-CG 4.26Å; A762-Q765 PolarHBondContact O-N 2.99Å |
| 766 | D | 87.6 | Confident | 90.1 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | trans | -63.4 | 141.5 | 177.9 | -64.3 | -9.1 | 0 | 0 | 0 | 110.7 | R694 | R694-D766 IonicContact CZ-OD1 2.68Å; R694-D766 IonicContact NE-OD1 2.95Å; R694-D766 PolarHBondContact NE-OD1 3.47Å; R694-D766 IonicContact NH2-OD1 3.49Å; R694-D766 PolarHBondContact NH2-OD1 2.7Å | ||
| 767 | P | 88.6 | Confident | 90.1 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 16% | 0.156 | 34% | 0.339 | C | S | . | . | trans | -71.5 | 149.3 | -174.2 | 30.8 | -36.6 | 0 | 0 | 0 | 112.7 | E697 V769 K770 | E697-P767 HydrophobicContact CB-CG 4.32Å; E697-P767 HydrophobicContact CG-CG 4.37Å; P767-V769 PolarHBondContact O-N 2.91Å; P767-K770 HydrophobicContact CG-CG 4.34Å | ||
| 768 | V | 89.4 | Confident | 90.2 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -71.7 | -19 | -179.9 | -177 | 0 | 0 | 0 | 0 | 112.2 | K754 A757 T761 | K754-V768 HydrophobicContact CD-CG1 4.43Å; K754-V768 PolarHBondContact NZ-O 3.01Å; A757-V768 HydrophobicContact CB-CG1 3.79Å; T761-V768 HydrophobicContact CG2-CG2 4.43Å; T761-V768 WeakPolarHBondContact OG1-CG2 3.29Å |
| 769 | V | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -152.1 | 127.4 | 178.1 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | R701 F705 W750 K754 P767 E773 I774 | R701-V769 PolarHBondContact NE-O 3.33Å; F705-V769 HydrophobicContact CE2-CG1 3.98Å; F705-V769 HydrophobicContact CZ-CG1 3.69Å; W750-V769 HydrophobicContact CH2-CG2 3.92Å; W750-V769 HydrophobicContact CZ2-CG2 4.07Å; K754-V769 HydrophobicContact CB-CB 4.49Å; K754-V769 HydrophobicContact CB-CG1 4.23Å; K754-V769 HydrophobicContact CD-CB 4.19Å; P767-V769 PolarHBondContact O-N 2.91Å; V769-E773 HydrophobicContact CG2-CB 3.9Å; V769-I774 HydrophobicContact CG1-CD1 4.48Å; V769-I774 HydrophobicContact CG2-CD1 4.47Å; V769-I774 HydrophobicContact CG2-CG1 3.89Å |
| 770 | K | 92.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 35% | 0.352 | 34% | 0.335 | S | S | . | . | trans | -84.1 | 154.4 | 174.8 | -63.3 | -166.4 | 177 | -159.4 | 0 | 111.1 | E693 E697 P767 A772 E773 I774 | E693-K770 IonicContact OE2-NZ 2.68Å; E693-K770 PolarHBondContact OE2-NZ 3.19Å; E693-K770 VanDerWaalsContact OE2-NZ 3.14Å; E697-K770 VanDerWaalsContact OE2-CA 3.3Å; E697-K770 WeakPolarHBondContact OE2-CA 3.38Å; P767-K770 HydrophobicContact CG-CG 4.34Å; K770-A772 PolarHBondContact O-N 3.44Å; K770-E773 PolarHBondContact N-OE1 3.44Å; K770-E773 WeakPolarHBondContact O-CB 3.38Å; K770-E773 PolarHBondContact O-N 3.42Å; K770-I774 PolarHBondContact O-N 3.35Å | ||
| 771 | V | 92.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.7 | -40.9 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | E697 E700 R701 A704 E773 I774 I775 | E697-V771 WeakPolarHBondContact OE2-CG2 3.38Å; E697-V771 PolarHBondContact OE2-N 3.03Å; E700-V771 HydrophobicContact CB-CG2 3.78Å; R701-V771 HydrophobicContact CB-CG2 3.98Å; A704-V771 HydrophobicContact CB-CG1 4.17Å; V771-E773 VanDerWaalsContact C-N 3.28Å; V771-E773 PolarHBondContact O-N 3.38Å; V771-I774 WeakPolarHBondContact O-CB 3.47Å; V771-I774 PolarHBondContact O-N 3.19Å; V771-I775 HydrophobicContact CG1-CD1 3.76Å; V771-I775 HydrophobicContact CG1-CG1 4.25Å; V771-I775 WeakPolarHBondContact O-CG1 3.5Å; V771-I775 PolarHBondContact O-N 3.48Å |
| 772 | A | 92.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.8 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K770 A776 | K770-A772 PolarHBondContact O-N 3.44Å; A772-A776 WeakPolarHBondContact O-CB 3.4Å; A772-A776 PolarHBondContact O-N 3.38Å |
| 773 | E | 92.2 | Very high | 90.8 | Very high | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.6 | -34.9 | 176.5 | -65.3 | 172.6 | -106.5 | 0 | 0 | 111.7 | V769 K770 V771 K777 | V769-E773 HydrophobicContact CG2-CB 3.9Å; K770-E773 PolarHBondContact N-OE1 3.44Å; K770-E773 WeakPolarHBondContact O-CB 3.38Å; K770-E773 PolarHBondContact O-N 3.42Å; V771-E773 VanDerWaalsContact C-N 3.28Å; V771-E773 PolarHBondContact O-N 3.38Å; E773-K777 WeakPolarHBondContact O-CB 3.39Å; E773-K777 PolarHBondContact O-N 3.05Å |
| 774 | I | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 176.6 | -57.6 | 169.8 | 0 | 0 | 0 | 109.9 | R701 A704 F705 L708 W750 V769 K770 V771 A776 K777 I778 | R701-I774 HydrophobicContact CG-CD1 3.51Å; A704-I774 HydrophobicContact CB-CB 4.17Å; A704-I774 HydrophobicContact CB-CD1 4.16Å; A704-I774 HydrophobicContact CB-CG2 3.87Å; F705-I774 HydrophobicContact CD1-CD1 3.92Å; F705-I774 HydrophobicContact CD1-CG1 4.34Å; F705-I774 HydrophobicContact CD1-CG2 4.2Å; F705-I774 HydrophobicContact CD2-CD1 3.71Å; F705-I774 HydrophobicContact CE1-CD1 3.69Å; F705-I774 HydrophobicContact CE1-CG1 3.89Å; F705-I774 HydrophobicContact CE1-CG2 4.45Å; F705-I774 HydrophobicContact CE2-CD1 3.48Å; F705-I774 VanDerWaalsContact CE2-CD1 3.48Å; F705-I774 HydrophobicContact CE2-CG1 4.46Å; F705-I774 HydrophobicContact CG-CD1 3.92Å; F705-I774 HydrophobicContact CZ-CD1 3.47Å; F705-I774 VanDerWaalsContact CZ-CD1 3.47Å; F705-I774 HydrophobicContact CZ-CG1 3.96Å; L708-I774 HydrophobicContact CB-CG2 4.2Å; L708-I774 HydrophobicContact CD2-CG2 4.14Å; W750-I774 HydrophobicContact CH2-CG1 4.27Å; V769-I774 HydrophobicContact CG1-CD1 4.48Å; V769-I774 HydrophobicContact CG2-CD1 4.47Å; V769-I774 HydrophobicContact CG2-CG1 3.89Å; K770-I774 PolarHBondContact O-N 3.35Å; V771-I774 WeakPolarHBondContact O-CB 3.47Å; V771-I774 PolarHBondContact O-N 3.19Å; I774-A776 VanDerWaalsContact C-N 3.34Å; I774-A776 PolarHBondContact O-N 2.93Å; I774-K777 CarbonylContact O-C 3.49Å; I774-K777 WeakPolarHBondContact O-CB 3.31Å; I774-K777 PolarHBondContact O-N 2.84Å; I774-K777 VanDerWaalsContact O-N 3.11Å; I774-I778 HydrophobicContact CG2-CD1 4.32Å; I774-I778 WeakPolarHBondContact O-CG1 3.24Å; I774-I778 PolarHBondContact O-N 3.28Å |
| 775 | I | 92.7 | Very high | 90.6 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176 | -65.8 | 172.1 | 0 | 0 | 0 | 110.4 | V771 K777 I778 Q779 | V771-I775 HydrophobicContact CG1-CD1 3.76Å; V771-I775 HydrophobicContact CG1-CG1 4.25Å; V771-I775 WeakPolarHBondContact O-CG1 3.5Å; V771-I775 PolarHBondContact O-N 3.48Å; I775-K777 PolarHBondContact O-N 3.45Å; I775-I778 WeakPolarHBondContact O-CB 3.46Å; I775-I778 PolarHBondContact O-N 2.96Å; I775-I778 VanDerWaalsContact O-N 3.14Å; I775-Q779 PolarHBondContact O-N 3.23Å |
| 776 | A | 93.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 49% | 0.488 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A772 I774 Q779 E780 | A772-A776 WeakPolarHBondContact O-CB 3.4Å; A772-A776 PolarHBondContact O-N 3.38Å; I774-A776 VanDerWaalsContact C-N 3.34Å; I774-A776 PolarHBondContact O-N 2.93Å; A776-Q779 PolarHBondContact O-N 3.37Å; A776-E780 WeakPolarHBondContact O-CB 3.25Å; A776-E780 PolarHBondContact O-N 2.89Å |
| 777 | K | 91.5 | Very high | 90.1 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 176.1 | -162.5 | 71.9 | -164.5 | 162.3 | 0 | 113.1 | W750 E773 I774 I775 E780 L781 | W750-K777 HydrophobicContact CD2-CD 4.47Å; W750-K777 HydrophobicContact CD2-CG 4.42Å; W750-K777 HydrophobicContact CE3-CD 4.47Å; W750-K777 HydrophobicContact CE3-CG 3.94Å; W750-K777 HydrophobicContact CH2-CB 4.17Å; W750-K777 HydrophobicContact CH2-CG 4.37Å; W750-K777 HydrophobicContact CZ3-CB 4.07Å; W750-K777 HydrophobicContact CZ3-CG 3.92Å; E773-K777 WeakPolarHBondContact O-CB 3.39Å; E773-K777 PolarHBondContact O-N 3.05Å; I774-K777 CarbonylContact O-C 3.49Å; I774-K777 WeakPolarHBondContact O-CB 3.31Å; I774-K777 PolarHBondContact O-N 2.84Å; I774-K777 VanDerWaalsContact O-N 3.11Å; I775-K777 PolarHBondContact O-N 3.45Å; K777-E780 WeakPolarHBondContact CD-OE2 3.33Å; K777-E780 VanDerWaalsContact NZ-CD 3.27Å; K777-E780 IonicContact NZ-OE1 3.65Å; K777-E780 PolarHBondContact NZ-OE1 3.35Å; K777-E780 IonicContact NZ-OE2 2.69Å; K777-E780 PolarHBondContact NZ-OE2 2.93Å; K777-E780 PolarHBondContact O-N 3.27Å; K777-L781 WeakPolarHBondContact O-CB 3.34Å; K777-L781 PolarHBondContact O-N 3.35Å |
| 778 | I | 91.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 172.4 | -67.8 | 167.1 | 0 | 0 | 0 | 110.1 | E707 L708 K711 I774 I775 L781 D782 | E707-I778 HydrophobicContact CB-CD1 4.16Å; E707-I778 HydrophobicContact CG-CD1 4.07Å; L708-I778 HydrophobicContact CB-CD1 4Å; L708-I778 HydrophobicContact CB-CG1 3.72Å; L708-I778 HydrophobicContact CD1-CG1 3.69Å; L708-I778 HydrophobicContact CG-CG1 4.24Å; K711-I778 HydrophobicContact CG-CG2 4.3Å; I774-I778 HydrophobicContact CG2-CD1 4.32Å; I774-I778 WeakPolarHBondContact O-CG1 3.24Å; I774-I778 PolarHBondContact O-N 3.28Å; I775-I778 WeakPolarHBondContact O-CB 3.46Å; I775-I778 PolarHBondContact O-N 2.96Å; I775-I778 VanDerWaalsContact O-N 3.14Å; I778-L781 WeakPolarHBondContact O-CB 3.42Å; I778-L781 PolarHBondContact O-N 3.43Å; I778-D782 PolarHBondContact O-N 3.4Å |
| 779 | Q | 92.6 | Very high | 89.1 | Confident | 104 Ų | 104 | 44.6 Ų | 44.6 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 178.2 | -172.1 | 63 | 43.1 | 0 | 0 | 111.4 | I775 A776 L781 D782 D783 | I775-Q779 PolarHBondContact O-N 3.23Å; A776-Q779 PolarHBondContact O-N 3.37Å; Q779-L781 VanDerWaalsContact C-N 3.27Å; Q779-L781 PolarHBondContact O-N 2.93Å; Q779-D782 PolarHBondContact O-N 3.11Å; Q779-D782 VanDerWaalsContact O-N 3.16Å; Q779-D783 PolarHBondContact NE2-OD1 3.22Å; Q779-D783 WeakPolarHBondContact O-CB 3.22Å; Q779-D783 PolarHBondContact O-N 3.25Å |
| 780 | E | 92.4 | Very high | 88.6 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 176.1 | -163.8 | -166.6 | 158.3 | 0 | 0 | 111.6 | F743 A776 K777 V784 | F743-E780 HydrophobicContact CZ-CG 3.86Å; F743-E780 WeakPolarHBondContact CZ-OE1 3.48Å; A776-E780 WeakPolarHBondContact O-CB 3.25Å; A776-E780 PolarHBondContact O-N 2.89Å; K777-E780 WeakPolarHBondContact CD-OE2 3.33Å; K777-E780 VanDerWaalsContact NZ-CD 3.27Å; K777-E780 IonicContact NZ-OE1 3.65Å; K777-E780 PolarHBondContact NZ-OE1 3.35Å; K777-E780 IonicContact NZ-OE2 2.69Å; K777-E780 PolarHBondContact NZ-OE2 2.93Å; K777-E780 PolarHBondContact O-N 3.27Å; E780-V784 WeakPolarHBondContact O-CG2 3.45Å; E780-V784 PolarHBondContact O-N 3.07Å; E780-V784 VanDerWaalsContact O-N 3.14Å |
| 781 | L | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.9 | -177.4 | 70.3 | 0 | 0 | 0 | 112.5 | L708 K711 L712 Y715 F743 V744 K777 I778 Q779 C785 | L708-L781 HydrophobicContact CD1-CD2 3.94Å; K711-L781 HydrophobicContact CB-CD2 3.91Å; L712-L781 HydrophobicContact CD2-CD1 3.92Å; L712-L781 HydrophobicContact CD2-CD2 3.58Å; L712-L781 HydrophobicContact CD2-CG 4.43Å; L712-L781 HydrophobicContact CG-CD2 3.85Å; Y715-L781 HydrophobicContact CD2-CD1 4.32Å; Y715-L781 HydrophobicContact CD2-CD2 4.1Å; Y715-L781 HydrophobicContact CD2-CG 3.94Å; Y715-L781 HydrophobicContact CE2-CD2 4.32Å; Y715-L781 HydrophobicContact CE2-CG 4Å; F743-L781 HydrophobicContact CD1-CD1 3.78Å; F743-L781 HydrophobicContact CE1-CB 4.31Å; F743-L781 HydrophobicContact CE1-CD1 3.93Å; V744-L781 HydrophobicContact CG2-CD1 4.21Å; K777-L781 WeakPolarHBondContact O-CB 3.34Å; K777-L781 PolarHBondContact O-N 3.35Å; I778-L781 WeakPolarHBondContact O-CB 3.42Å; I778-L781 PolarHBondContact O-N 3.43Å; Q779-L781 VanDerWaalsContact C-N 3.27Å; Q779-L781 PolarHBondContact O-N 2.93Å; L781-C785 WeakPolarHBondContact O-CB 3.3Å; L781-C785 PolarHBondContact O-N 3.34Å |
| 782 | D | 89.7 | Confident | 86.8 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -68.8 | -37 | 178.1 | -83.4 | -22.1 | 0 | 0 | 0 | 112.3 | K711 Y715 I778 Q779 G786 | K711-D782 IonicContact NZ-OD1 2.81Å; K711-D782 PolarHBondContact NZ-OD1 3.15Å; K711-D782 IonicContact NZ-OD2 3.41Å; K711-D782 PolarHBondContact NZ-OD2 3.19Å; Y715-D782 WeakPolarHBondContact CE2-OD1 3.47Å; Y715-D782 PolarHBondContact OH-OD1 3.23Å; I778-D782 PolarHBondContact O-N 3.4Å; Q779-D782 PolarHBondContact O-N 3.11Å; Q779-D782 VanDerWaalsContact O-N 3.16Å; D782-G786 WeakPolarHBondContact O-CA 3.3Å; D782-G786 PolarHBondContact O-N 3.26Å |
| 783 | D | 88.8 | Confident | 85.6 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -66.3 | -45 | 178.6 | -67.8 | -20 | 0 | 0 | 0 | 111.2 | Q779 S787 | Q779-D783 PolarHBondContact NE2-OD1 3.22Å; Q779-D783 WeakPolarHBondContact O-CB 3.22Å; Q779-D783 PolarHBondContact O-N 3.25Å; D783-S787 VanDerWaalsContact O-CB 3.31Å; D783-S787 WeakPolarHBondContact O-CB 3.5Å; D783-S787 PolarHBondContact O-OG 3.12Å |
| 784 | V | 85.7 | Confident | 83.9 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -76.5 | -50.2 | -179 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | F743 E780 S787 | F743-V784 HydrophobicContact CB-CG1 4.34Å; F743-V784 HydrophobicContact CD1-CB 4.27Å; F743-V784 HydrophobicContact CD1-CG1 4.18Å; F743-V784 HydrophobicContact CD2-CG1 4.3Å; F743-V784 HydrophobicContact CE1-CB 4.31Å; F743-V784 HydrophobicContact CE1-CG2 4.48Å; F743-V784 HydrophobicContact CE2-CG2 4.4Å; F743-V784 HydrophobicContact CG-CG1 4Å; F743-V784 HydrophobicContact CZ-CG2 4.27Å; E780-V784 WeakPolarHBondContact O-CG2 3.45Å; E780-V784 PolarHBondContact O-N 3.07Å; E780-V784 VanDerWaalsContact O-N 3.14Å; V784-S787 PolarHBondContact O-OG 2.88Å; V784-S787 VanDerWaalsContact O-OG 3.09Å |
| 785 | C | 86.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -85.7 | -35.2 | -173.5 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | Y715 V740 L781 V788 A789 | Y715-C785 HydrophobicContact CD1-CB 3.55Å; Y715-C785 HydrophobicContact CD2-CB 3.8Å; Y715-C785 HydrophobicContact CE1-CB 3.67Å; Y715-C785 HydrophobicContact CE2-CB 3.92Å; Y715-C785 HydrophobicContact CG-CB 3.64Å; V740-C785 HydrophobicContact CG1-CB 4.01Å; V740-C785 HydrophobicContact CG2-CB 4.45Å; L781-C785 WeakPolarHBondContact O-CB 3.3Å; L781-C785 PolarHBondContact O-N 3.34Å; C785-V788 PolarHBondContact O-N 3.22Å; C785-A789 VanDerWaalsContact O-CB 3.25Å; C785-A789 WeakPolarHBondContact O-CB 3.37Å; C785-A789 PolarHBondContact O-N 2.73Å |
| 786 | G | 82.5 | Confident | 79.3 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | I | π-helix | trans | -68 | -34.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y715 D782 V788 N790 | Y715-G786 WeakPolarHBondContact OH-CA 3.25Å; D782-G786 WeakPolarHBondContact O-CA 3.3Å; D782-G786 PolarHBondContact O-N 3.26Å; G786-V788 VanDerWaalsContact C-N 3.26Å; G786-V788 PolarHBondContact O-N 2.73Å; G786-N790 VanDerWaalsContact O-CB 3.3Å; G786-N790 WeakPolarHBondContact O-CB 3.22Å; G786-N790 PolarHBondContact O-N 3.01Å; G786-N790 PolarHBondContact O-ND2 2.96Å; G786-N790 VanDerWaalsContact O-ND2 3.12Å |
| 787 | S | 82.1 | Confident | 76.8 | Confident | 72 Ų | 72 | 73 Ų | 73 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.3 | -28.6 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | D783 V784 | D783-S787 VanDerWaalsContact O-CB 3.31Å; D783-S787 WeakPolarHBondContact O-CB 3.5Å; D783-S787 PolarHBondContact O-OG 3.12Å; V784-S787 PolarHBondContact O-OG 2.88Å; V784-S787 VanDerWaalsContact O-OG 3.09Å |
| 788 | V | 79.8 | Confident | 74.1 | Confident | 14 Ų | 14 | 80.1 Ų | 80.1 | 9% | 0.085 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -88 | -48 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | F718 D736 V740 C785 G786 N790 R791 | F718-V788 HydrophobicContact CZ-CG1 4.37Å; D736-V788 HydrophobicContact CB-CG1 3.84Å; D736-V788 HydrophobicContact CB-CG2 4.36Å; V740-V788 HydrophobicContact CG2-CB 3.7Å; V740-V788 HydrophobicContact CG2-CG1 3.82Å; V740-V788 HydrophobicContact CG2-CG2 4Å; C785-V788 PolarHBondContact O-N 3.22Å; G786-V788 VanDerWaalsContact C-N 3.26Å; G786-V788 PolarHBondContact O-N 2.73Å; V788-N790 VanDerWaalsContact C-N 3.3Å; V788-N790 PolarHBondContact O-N 3.01Å; V788-R791 WeakPolarHBondContact O-CB 3.39Å; V788-R791 PolarHBondContact O-N 3.4Å |
| 789 | A | 77.4 | Confident | 71.6 | Confident | 16 Ų | 16 | 85.6 Ų | 85.6 | 13% | 0.132 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.2 | -29.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y715 F718 C785 | Y715-A789 HydrophobicContact CD1-CB 4.15Å; Y715-A789 HydrophobicContact CE1-CB 4.01Å; F718-A789 HydrophobicContact CD1-CB 4.07Å; F718-A789 HydrophobicContact CD2-CB 3.92Å; F718-A789 HydrophobicContact CE1-CB 4.12Å; F718-A789 HydrophobicContact CE2-CB 3.96Å; F718-A789 HydrophobicContact CG-CB 3.97Å; F718-A789 HydrophobicContact CZ-CB 4.07Å; C785-A789 VanDerWaalsContact O-CB 3.25Å; C785-A789 WeakPolarHBondContact O-CB 3.37Å; C785-A789 PolarHBondContact O-N 2.73Å |
| 790 | N | 80.1 | Confident | 68.9 | Low | 129 Ų | 129 | 86.6 Ų | 86.6 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.9 | 179.9 | -61.6 | -51.4 | 0 | 0 | 0 | 113.7 | G786 V788 P792 | G786-N790 VanDerWaalsContact O-CB 3.3Å; G786-N790 WeakPolarHBondContact O-CB 3.22Å; G786-N790 PolarHBondContact O-N 3.01Å; G786-N790 PolarHBondContact O-ND2 2.96Å; G786-N790 VanDerWaalsContact O-ND2 3.12Å; V788-N790 VanDerWaalsContact C-N 3.3Å; V788-N790 PolarHBondContact O-N 3.01Å; N790-P792 WeakPolarHBondContact O-CD 3.13Å |
| 791 | R | 78.8 | Confident | 66.2 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 120.7 | -179.9 | -172.4 | -178.2 | -72 | 167.8 | 1.8 | 110 | H731 L732 D736 V788 | H731-R791 PolarHBondContact NE2-O 2.73Å; L732-R791 HydrophobicContact CD2-CB 3.93Å; L732-R791 HydrophobicContact CD2-CG 4.45Å; D736-R791 IonicContact OD2-CZ 3.16Å; D736-R791 IonicContact OD2-NH1 2.71Å; D736-R791 PolarHBondContact OD2-NH1 3.19Å; D736-R791 IonicContact OD2-NH2 2.75Å; V788-R791 WeakPolarHBondContact O-CB 3.39Å; V788-R791 PolarHBondContact O-N 3.4Å |
| 792 | P | 69.6 | Low | 63.5 | Low | 106 Ų | 106 | 96.5 Ų | 96.5 | 69% | 0.688 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 156.5 | -177.5 | 27.9 | -33.6 | 0 | 0 | 0 | 112.1 | N790 | N790-P792 WeakPolarHBondContact O-CD 3.13Š|
| 793 | K | 67.7 | Low | 60.7 | Low | 109 Ų | 109 | 97.4 Ų | 97.4 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 132.3 | 173.5 | -78.7 | 179.9 | 177.2 | -173.5 | 0 | 110.3 | E727 H731 V795 | E727-K793 WeakPolarHBondContact O-CE 3.38Å; E727-K793 PolarHBondContact O-NZ 2.8Å; H731-K793 HydrophobicContact CB-CG 4.29Å; H731-K793 VanDerWaalsContact ND1-CG 3.3Å; H731-K793 WeakPolarHBondContact ND1-CG 3.46Å; K793-V795 PolarHBondContact O-N 3.45Å |
| 794 | P | 56.8 | Low | 57.9 | Low | 106 Ų | 106 | 99.5 Ų | 99.5 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.9 | 172.7 | 16.8 | -17.9 | 0 | 0 | 0 | 110.1 | ||
| 795 | V | 49.7 | Very low | 55.2 | Low | 141 Ų | 141 | 104.6 Ų | 104.6 | 86% | 0.855 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.8 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 108 | K793 | K793-V795 PolarHBondContact O-N 3.45Š|
| 796 | A | 39 | Very low | 52.4 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 78% | 0.777 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 128.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 797 | E | 40.1 | Very low | 50.1 | Low | 197 Ų | 197 | 113.2 Ų | 113.2 | 92% | 0.921 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 124.1 | 165.9 | -76.7 | -175.6 | 160.1 | 0 | 0 | 109.6 | ||
| 798 | E | 35.3 | Very low | 47.7 | Very low | 184 Ų | 184 | 118.1 Ų | 118.1 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 148 | 168.6 | -74.4 | -171.2 | 163.5 | 0 | 0 | 111.1 | ||
| 799 | P | 39.3 | Very low | 45.5 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 145.3 | 178.6 | 23 | -14.4 | 0 | 0 | 0 | 112.3 | ||
| 800 | S | 34.7 | Very low | 43.7 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134 | -177.2 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 801 | D | 36.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 147.5 | -179.8 | -169.1 | 19.9 | 0 | 0 | 0 | 114.4 | ||
| 802 | V | 33.6 | Very low | 39.3 | Very low | 151 Ų | 151 | 127 Ų | 127 | 92% | 0.915 | 77% | 0.767 | S | S | * | * | trans | -159.8 | 123.7 | 143.9 | -163.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 803 | G | 30.9 | Very low | 37.3 | Very low | 54 Ų | 54 | 125.6 Ų | 125.6 | 56% | 0.557 | 77% | 0.765 | S | S | * | * | cis | 172 | 175.7 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 804 | D | 30.1 | Very low | 35.5 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 96.5 | 104.6 | 152.8 | -85.9 | -15.6 | 0 | 0 | 0 | 123.1 | ||||
| 805 | Q | 29.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | 67.9 | 114.3 | 124.7 | -70.1 | 175.5 | 41.7 | 0 | 0 | 120.8 | |||||
| 806 | A | 27.9 | Very low | 33 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | 163.4 | 159.8 | 93.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 807 | A | 33 | Very low | 33.4 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 98.4 | 108.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 808 | H | 32.6 | Very low | 32.8 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | 54.4 | 102.2 | 122.4 | -103.1 | -52.8 | 0 | 0 | 0 | 119.9 | |||||
| 809 | N | 32.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | -162.6 | 87.6 | 113.6 | -100.4 | -16.7 | 0 | 0 | 0 | 107.7 | |||||
| 810 | G | 41.4 | Very low | 31.8 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -94.1 | 113.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 811 | P | 37.4 | Very low | 31.5 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | -150.7 | 164 | 110.9 | 41.3 | -25.2 | 0 | 0 | 0 | 114.1 | |||||
| 812 | T | 27.2 | Very low | 31 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 33 | 132.1 | 139.7 | 58.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 813 | A | 29.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -168.3 | 149.5 | 34 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 814 | R | 29.5 | Very low | 30.7 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | 58.7 | 124.2 | 136.3 | -69.8 | 174.1 | -176.7 | -179 | 0.2 | 116.3 | ||||
| 815 | Q | 28.6 | Very low | 31.4 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -172.7 | 123 | 33.7 | -116.1 | 163.1 | -3.1 | 0 | 0 | 107.7 | ||||
| 816 | E | 25.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | -55.3 | 165.5 | 127.7 | -101.1 | -174.8 | -166.6 | 0 | 0 | 109.3 | |||||
| 817 | P | 47.1 | Very low | 32.2 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | cis | -148.9 | -179.4 | 26 | 29.3 | -3.2 | 0 | 0 | 0 | 115.5 | ||||
| 818 | D | 26.9 | Very low | 31.9 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 37 | 136.5 | 135.6 | -69.3 | -37 | 0 | 0 | 0 | 121.3 | ||||
| 819 | G | 25.1 | Very low | 31.8 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | 146.9 | 105.7 | 122.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 820 | K | 28.4 | Very low | 31.6 | Very low | 216 Ų | 216 | 135.3 Ų | 135.3 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | 19.5 | 116.9 | 136.8 | -68.2 | 177.8 | 177.3 | 174.3 | 0 | 116.8 | ||||
| 821 | G | 28.3 | Very low | 31 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | 115.8 | 135.3 | 119.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 822 | N | 27 | Very low | 30.6 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 96.6 | 113.6 | 141 | -121.5 | 16.1 | 0 | 0 | 0 | 119.7 | ||||
| 823 | Q | 29.8 | Very low | 30.7 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | 42.1 | 131.3 | 134 | -72 | -178.6 | 8.3 | 0 | 0 | 122 | ||||
| 824 | Q | 28.8 | Very low | 31 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 73.6 | 165.5 | 141.7 | -79.3 | -179 | -10.1 | 0 | 0 | 118.2 | ||||
| 825 | P | 43.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 148 Ų | 148 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | -133.6 | 179 | -35.5 | 33.8 | -15.4 | 0 | 0 | 0 | 112.9 | ||||
| 826 | K | 34 | Very low | 31.5 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -51.6 | 153.7 | 150.6 | -78.4 | -178.1 | 175.6 | 179.9 | 0 | 109.9 | ||||
| 827 | P | 40.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | -152.9 | -178.5 | 73.9 | 34.6 | -11 | 0 | 0 | 0 | 112.8 | |||||
| 828 | G | 27.2 | Very low | 30.9 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | cis | -170.6 | 146.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 829 | A | 29.3 | Very low | 31.2 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | 64.1 | 111.7 | 101.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 830 | K | 27.8 | Very low | 31.5 | Very low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | -172.9 | 136.5 | 117.5 | -103 | 177.6 | -177.6 | -175.2 | 0 | 114.4 | |||||
| 831 | H | 29.1 | Very low | 31.8 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -37.7 | 148.9 | 159.6 | -87.4 | -81.4 | 0 | 0 | 0 | 117.6 | ||||
| 832 | M | 28.7 | Very low | 32 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | -177.2 | 111.9 | 121.8 | -107 | 175.3 | 138.4 | 0 | 0 | 107.9 | |||||
| 833 | E | 30.9 | Very low | 32.4 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 71% | 0.71 | 82% | 0.819 | S | S | * | * | 77.4 | 129.6 | 82.5 | -119.5 | -177.3 | -169.7 | 0 | 0 | 115.2 | |||||
| 834 | L | 33.8 | Very low | 32.6 | Very low | 143 Ų | 143 | 154.3 Ų | 154.3 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | 76.6 | 130 | 159.5 | -58.5 | 153.4 | 0 | 0 | 0 | 116.4 | ||||
| 835 | D | 37.2 | Very low | 32.9 | Very low | 226 Ų | 226 | 152.9 Ų | 152.9 | 100% | 1.209 | 83% | 0.832 | S | S | * | * | cis | -134.4 | 0 | 16.7 | -86.1 | -41.7 | 0 | 0 | 0 | 112.2 |
Retrieved 835 of 835 residues in 189.2 ms
(Link to these results)