| 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 | 37.8 | Very low | 71.1 | Confident | 201 Ų | 201 | 39.5 Ų | 39.5 | 99% | 0.99 | 20% | 0.203 | S | C | * | . | 0 | 128.8 | 0 | -169.6 | 174.2 | -78.8 | 0 | 0 | 106.2 | M274 | M1-M274 HydrophobicContact SD-CG 4.22Š| |||
| 2 | F | 37.6 | Very low | 73.4 | Confident | 146 Ų | 146 | 36.3 Ų | 36.3 | 64% | 0.64 | 19% | 0.186 | S | C | * | . | trans | -107.1 | 127.4 | -163.7 | -58.8 | -57.1 | 0 | 0 | 0 | 111.2 | R231 | F2-R231 HydrophobicContact CB-CG 4.46Š| ||
| 3 | P | 43.8 | Very low | 75.2 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | trans | -59.9 | 141.6 | 169.4 | 8.7 | -12.2 | 0 | 0 | 0 | 111.1 | F149 F275 | P3-F149 HydrophobicContact CB-CE1 4.48Å; P3-F149 HydrophobicContact CB-CE2 4.18Å; P3-F149 HydrophobicContact CB-CZ 3.78Å; P3-F149 HydrophobicContact CG-CD2 3.91Å; P3-F149 HydrophobicContact CG-CE1 4.02Å; P3-F149 HydrophobicContact CG-CE2 3Å; P3-F149 HydrophobicContact CG-CZ 3.06Å; P3-F275 HydrophobicContact CB-CD1 4.01Å; P3-F275 HydrophobicContact CB-CD2 4.16Å; P3-F275 HydrophobicContact CB-CE1 3.62Å; P3-F275 HydrophobicContact CB-CE2 3.78Å; P3-F275 HydrophobicContact CB-CG 4.27Å; P3-F275 HydrophobicContact CB-CZ 3.49Å; P3-F275 VanDerWaalsContact CB-CZ 3.49Å; P3-F275 HydrophobicContact CG-CE2 4.39Å; P3-F275 HydrophobicContact CG-CZ 4.08Å | ||
| 4 | S | 51.2 | Low | 76.8 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | trans | -111.6 | 9.6 | -160.2 | 46.6 | 0 | 0 | 0 | 0 | 117.4 | M271 | S4-M271 WeakPolarHBondContact OG-CE 3.48Å; S4-M271 PolarHBondContact OG-SD 2.89Å | ||
| 5 | S | 59.3 | Low | 78.1 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | trans | 111.8 | 160.7 | 164.6 | -59.7 | 0 | 0 | 0 | 0 | 114.9 | D28 N187 R238 M271 | S5-D28 WeakPolarHBondContact O-CB 3.41Å; S5-N187 VanDerWaalsContact C-OD1 3.3Å; S5-N187 WeakPolarHBondContact CA-OD1 3.34Å; S5-N187 WeakPolarHBondContact CB-OD1 3.36Å; S5-N187 WeakPolarHBondContact OG-CB 3.43Å; S5-N187 PolarHBondContact OG-OD1 2.97Å; S5-R238 PolarHBondContact O-NH1 3.36Å; S5-R238 VanDerWaalsContact O-NH1 3.14Å; S5-R238 PolarHBondContact O-NH2 3.24Å; S5-M271 VanDerWaalsContact O-SD 3.39Å | ||
| 6 | C | 71.9 | Confident | 79.3 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | trans | -120.8 | 165.9 | 157.4 | 2.1 | 0 | 0 | 0 | 0 | 111.6 | N26 D28 E92 N187 R238 | C6-N26 WeakPolarHBondContact CB-O 3.34Å; C6-D28 WeakPolarHBondContact CA-OD2 3.34Å; C6-D28 HydrophobicContact CB-CB 3.82Å; C6-D28 PolarHBondContact SG-N 2.88Å; C6-E92 WeakPolarHBondContact CA-OE2 2.9Å; C6-E92 WeakPolarHBondContact CB-OE2 3.4Å; C6-E92 PolarHBondContact N-OE2 2.98Å; C6-E92 PolarHBondContact SG-OE2 3.21Å; C6-N187 PolarHBondContact N-OD1 3.17Å; C6-N187 PolarHBondContact O-OD1 3.24Å; C6-R238 PolarHBondContact O-NH2 3.46Å | ||
| 7 | D | 89.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.8 | -178.2 | -57.6 | -60.2 | 0 | 0 | 0 | 112 | F9 K25 N26 E92 S186 R238 I269 | D7-F9 HydrophobicContact CB-CE2 3.51Å; D7-F9 HydrophobicContact CB-CZ 3.59Å; D7-K25 WeakPolarHBondContact O-CA 3.42Å; D7-N26 PolarHBondContact O-N 3.25Å; D7-E92 WeakPolarHBondContact CA-OE1 3.36Å; D7-E92 PolarHBondContact N-OE1 2.87Å; D7-S186 VanDerWaalsContact OD1-CB 3.3Å; D7-S186 WeakPolarHBondContact OD1-CB 3.48Å; D7-S186 PolarHBondContact OD1-OG 2.81Å; D7-R238 IonicContact OD1-CZ 2.92Å; D7-R238 IonicContact OD1-NE 2.94Å; D7-R238 PolarHBondContact OD1-NE 3.09Å; D7-R238 IonicContact OD1-NH2 3.38Å; D7-R238 PolarHBondContact OD1-NH2 3.37Å; D7-R238 IonicContact OD2-CZ 3.91Å; D7-R238 IonicContact OD2-NE 2.82Å; D7-R238 PolarHBondContact OD2-NE 3.24Å; D7-R238 IonicContact OD2-NH1 3.68Å; D7-R238 IonicContact OD2-NH2 3.18Å; D7-R238 PolarHBondContact OD2-NH2 3.41Å; D7-I269 HydrophobicContact CB-CG2 4.47Å; D7-I269 WeakPolarHBondContact OD2-CA 3.49Å |
| 8 | T | 95.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.4 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | F23 G24 K25 E92 L156 N184 I185 | T8-F23 HydrophobicContact CG2-CE1 4.19Å; T8-F23 HydrophobicContact CG2-CE2 3.69Å; T8-F23 HydrophobicContact CG2-CZ 3.37Å; T8-G24 CarbonylContact C-O 3.5Å; T8-G24 WeakPolarHBondContact CA-O 3.15Å; T8-K25 HydrophobicContact CG2-CB 4.08Å; T8-K25 WeakPolarHBondContact OG1-CG 3.46Å; T8-E92 PolarHBondContact N-OE1 2.71Å; T8-E92 PolarHBondContact OG1-OE1 3.06Å; T8-L156 HydrophobicContact CG2-CB 3.67Å; T8-L156 HydrophobicContact CG2-CD2 3.74Å; T8-L156 HydrophobicContact CG2-CG 4.27Å; T8-N184 CarbonylContact O-C 3.58Å; T8-N184 WeakPolarHBondContact O-CA 3.16Å; T8-N184 WeakPolarHBondContact O-CB 3.4Å; T8-I185 PolarHBondContact N-O 3.26Å; T8-I185 VanDerWaalsContact N-O 3.14Å; T8-I185 PolarHBondContact O-N 2.71Å |
| 9 | F | 98.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.3 | -169.5 | -53.3 | -93.3 | 0 | 0 | 0 | 111.1 | D7 F23 G24 L156 R183 N184 L246 M258 I261 L262 I269 | D7-F9 HydrophobicContact CB-CE2 3.51Å; D7-F9 HydrophobicContact CB-CZ 3.59Å; F9-F23 CarbonylContact O-C 3.56Å; F9-F23 WeakPolarHBondContact O-CA 3.47Å; F9-G24 PolarHBondContact N-O 3.43Å; F9-G24 PolarHBondContact O-N 2.99Å; F9-L156 VanDerWaalsContact C-CD2 3.47Å; F9-R183 CarbonylContact C-O 3.5Å; F9-R183 WeakPolarHBondContact CA-O 3.32Å; F9-N184 HydrophobicContact CD1-CB 3.48Å; F9-N184 VanDerWaalsContact CD1-CB 3.48Å; F9-N184 HydrophobicContact CE1-CB 3.81Å; F9-N184 HydrophobicContact CG-CB 4.27Å; F9-L246 HydrophobicContact CD1-CD1 3.75Å; F9-L246 HydrophobicContact CD1-CD2 4.42Å; F9-L246 HydrophobicContact CD1-CG 4.1Å; F9-M258 HydrophobicContact CB-CE 3.79Å; F9-M258 HydrophobicContact CB-SD 3.65Å; F9-M258 HydrophobicContact CD2-SD 4.39Å; F9-M258 HydrophobicContact CG-SD 4.14Å; F9-I261 HydrophobicContact CD1-CG2 4.44Å; F9-I261 HydrophobicContact CE1-CG2 4.05Å; F9-I261 HydrophobicContact CE2-CG2 4.15Å; F9-I261 HydrophobicContact CZ-CG2 3.91Å; F9-L262 HydrophobicContact CD2-CD2 3.81Å; F9-L262 HydrophobicContact CE2-CD2 3.75Å; F9-I269 HydrophobicContact CE1-CD1 4.42Å; F9-I269 HydrophobicContact CE2-CG2 4.13Å; F9-I269 HydrophobicContact CZ-CD1 3.8Å; F9-I269 HydrophobicContact CZ-CG1 4.21Å; F9-I269 HydrophobicContact CZ-CG2 4.17Å |
| 10 | V | 98.6 | Very high | 82 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142 | 167.7 | 71.8 | 0 | 0 | 0 | 0 | 110.3 | L12 I21 I22 F23 L156 A163 Y182 R183 | V10-L12 HydrophobicContact CB-CD1 4.39Å; V10-L12 HydrophobicContact CG1-CD1 3.86Å; V10-L12 HydrophobicContact CG2-CD1 3.71Å; V10-L12 HydrophobicContact CG2-CG 4.46Å; V10-I21 HydrophobicContact CG2-CG2 3.93Å; V10-I22 CarbonylContact C-O 3.58Å; V10-I22 VanDerWaalsContact CA-O 3.28Å; V10-I22 WeakPolarHBondContact CA-O 3.49Å; V10-F23 HydrophobicContact CB-CD2 4.5Å; V10-L156 HydrophobicContact CB-CD2 3.81Å; V10-L156 HydrophobicContact CB-CG 4.47Å; V10-L156 HydrophobicContact CG1-CD1 4.11Å; V10-L156 HydrophobicContact CG1-CD2 3.86Å; V10-L156 HydrophobicContact CG1-CG 4.34Å; V10-A163 HydrophobicContact CB-CB 4.46Å; V10-A163 HydrophobicContact CG1-CB 3.79Å; V10-A163 HydrophobicContact CG2-CB 4.11Å; V10-Y182 CarbonylContact O-C 3.53Å; V10-Y182 VanDerWaalsContact O-CA 3.23Å; V10-Y182 WeakPolarHBondContact O-CA 3.39Å; V10-Y182 WeakPolarHBondContact O-CB 3.44Å; V10-R183 HydrophobicContact CG1-CB 3.87Å; V10-R183 PolarHBondContact N-O 3.26Å; V10-R183 PolarHBondContact O-N 3.31Å |
| 11 | A | 98.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | I21 I22 I253 | A11-I21 CarbonylContact O-C 3.43Å; A11-I21 WeakPolarHBondContact O-CA 3.39Å; A11-I22 HydrophobicContact CB-CB 4.48Å; A11-I22 PolarHBondContact N-O 3.43Å; A11-I22 PolarHBondContact O-N 3.17Å; A11-I253 HydrophobicContact CB-CB 4Å; A11-I253 HydrophobicContact CB-CD1 3.64Å; A11-I253 HydrophobicContact CB-CG1 4.39Å; A11-I253 HydrophobicContact CB-CG2 3.79Å |
| 12 | L | 98.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 157.8 | 176.7 | -63.6 | 90.1 | 0 | 0 | 0 | 108.4 | V10 S15 S16 I21 A163 V178 G181 | V10-L12 HydrophobicContact CB-CD1 4.39Å; V10-L12 HydrophobicContact CG1-CD1 3.86Å; V10-L12 HydrophobicContact CG2-CD1 3.71Å; V10-L12 HydrophobicContact CG2-CG 4.46Å; L12-S15 WeakPolarHBondContact O-CA 3.29Å; L12-S15 WeakPolarHBondContact O-CB 3.27Å; L12-S15 PolarHBondContact O-N 3.09Å; L12-S16 PolarHBondContact O-N 3.44Å; L12-I21 HydrophobicContact CD2-CG1 4.3Å; L12-I21 HydrophobicContact CG-CG1 4.11Å; L12-A163 HydrophobicContact CD1-CB 4.03Å; L12-V178 HydrophobicContact CD1-CG1 4.25Å; L12-G181 PolarHBondContact N-O 3.01Å |
| 13 | P | 97.4 | Very high | 88.7 | Confident | 23 Ų | 23 | 25.7 Ų | 25.7 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 142.5 | 171.1 | -25.9 | 36 | 0 | 0 | 0 | 110.5 | S16 E180 T287 | P13-S16 WeakPolarHBondContact CD-OG 3.21Å; P13-E180 WeakPolarHBondContact O-CA 3.43Å; P13-E180 VanDerWaalsContact O-CB 3.26Å; P13-E180 WeakPolarHBondContact O-CB 3.29Å; P13-T287 HydrophobicContact CG-CG2 4.31Å |
| 14 | P | 96.6 | Very high | 91.3 | Very high | 92 Ų | 92 | 25 Ų | 25 | 60% | 0.597 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -87.6 | 7.4 | 5.1 | 36.5 | -36.7 | 0 | 0 | 0 | 114.7 | G251 | P14-G251 WeakPolarHBondContact O-CA 3.47Š|
| 15 | S | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -34.1 | -175.7 | -166.5 | 0 | 0 | 0 | 0 | 113.7 | L12 G181 Y182 N250 G251 H252 I253 | L12-S15 WeakPolarHBondContact O-CA 3.29Å; L12-S15 WeakPolarHBondContact O-CB 3.27Å; L12-S15 PolarHBondContact O-N 3.09Å; S15-G181 WeakPolarHBondContact CB-O 3.43Å; S15-Y182 WeakPolarHBondContact OG-CD1 3.48Å; S15-N250 VanDerWaalsContact CB-OD1 3.22Å; S15-N250 WeakPolarHBondContact CB-OD1 3.18Å; S15-N250 PolarHBondContact OG-OD1 2.8Å; S15-G251 CarbonylContact O-C 3.59Å; S15-G251 WeakPolarHBondContact O-CA 3.49Å; S15-G251 PolarHBondContact O-N 3.03Å; S15-H252 PolarHBondContact O-N 2.79Å; S15-H252 VanDerWaalsContact O-N 3.16Å; S15-I253 PolarHBondContact O-N 3.28Å; S15-I253 VanDerWaalsContact O-N 3.17Å; S15-I253 WeakPolarHBondContact OG-CD1 3.36Å |
| 16 | S | 96.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 145.8 | 174.7 | 53 | 0 | 0 | 0 | 0 | 112 | L12 P13 R20 I253 | L12-S16 PolarHBondContact O-N 3.44Å; P13-S16 WeakPolarHBondContact CD-OG 3.21Å; S16-R20 WeakPolarHBondContact CB-O 3.44Å; S16-R20 PolarHBondContact OG-O 2.9Å; S16-I253 CarbonylContact C-O 3.54Å; S16-I253 WeakPolarHBondContact CA-O 3.32Å |
| 17 | E | 93.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 21.5 Ų | 21.5 | 50% | 0.495 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -74.1 | 132 | 171.8 | -174.2 | 165.1 | -157.2 | 0 | 0 | 111 | I253 T254 | E17-I253 PolarHBondContact N-O 2.69Å; E17-T254 HydrophobicContact CB-CG2 3.96Å; E17-T254 WeakPolarHBondContact OE2-CG2 3.31Å |
| 18 | G | 87.9 | Confident | 96.7 | Very high | 39 Ų | 39 | 22 Ų | 22 | 40% | 0.402 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 73.2 | 164.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R20 | G18-R20 PolarHBondContact O-N 3.04Š|
| 19 | Q | 94.9 | Very high | 96.6 | Very high | 133 Ų | 133 | 22.3 Ų | 22.3 | 62% | 0.621 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -75.5 | 63.8 | 174.9 | -67.6 | -69.4 | -59.8 | 0 | 0 | 110 | T287 | Q19-T287 HydrophobicContact CB-CG2 4.44Å; Q19-T287 WeakPolarHBondContact CB-OG1 3.36Å; Q19-T287 WeakPolarHBondContact O-CB 3.46Å; Q19-T287 WeakPolarHBondContact O-CG2 3.29Å; Q19-T287 PolarHBondContact O-N 3.49Å; Q19-T287 PolarHBondContact O-OG1 3.25Å |
| 20 | R | 96.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 18% | 0.177 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144 | -169.7 | -62.1 | 171.2 | 175.9 | -176.4 | -1.9 | 110.1 | S16 G18 V284 V285 E387 | S16-R20 WeakPolarHBondContact CB-O 3.44Å; S16-R20 PolarHBondContact OG-O 2.9Å; G18-R20 PolarHBondContact O-N 3.04Å; R20-V284 HydrophobicContact CB-CG1 4.21Å; R20-V284 HydrophobicContact CG-CG1 4.36Å; R20-V285 CarbonylContact C-O 3.51Å; R20-V285 WeakPolarHBondContact CA-O 3.49Å; R20-E387 IonicContact CZ-OE2 3.31Å; R20-E387 VanDerWaalsContact CZ-OE2 3.26Å; R20-E387 VanDerWaalsContact NH1-CD 3.33Å; R20-E387 IonicContact NH1-OE1 2.78Å; R20-E387 PolarHBondContact NH1-OE1 2.87Å; R20-E387 IonicContact NH1-OE2 2.77Å; R20-E387 PolarHBondContact NH1-OE2 3.28Å; R20-E387 IonicContact NH2-OE2 2.93Å; R20-E387 PolarHBondContact NH2-OE2 3.1Å |
| 21 | I | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.2 | 169.2 | -68.5 | 75.8 | 0 | 0 | 0 | 107.3 | V10 A11 L12 D159 R160 V284 V285 T287 | V10-I21 HydrophobicContact CG2-CG2 3.93Å; A11-I21 CarbonylContact O-C 3.43Å; A11-I21 WeakPolarHBondContact O-CA 3.39Å; L12-I21 HydrophobicContact CD2-CG1 4.3Å; L12-I21 HydrophobicContact CG-CG1 4.11Å; I21-D159 WeakPolarHBondContact CG1-O 3.22Å; I21-R160 VanDerWaalsContact CD1-C 3.43Å; I21-R160 WeakPolarHBondContact CD1-O 3.4Å; I21-V284 WeakPolarHBondContact O-CA 3.29Å; I21-V285 HydrophobicContact CB-CB 4.34Å; I21-V285 PolarHBondContact N-O 3.46Å; I21-V285 PolarHBondContact O-N 3.47Å; I21-T287 HydrophobicContact CD1-CG2 3.6Å |
| 22 | I | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.7 | 177.6 | -61.6 | 161.6 | 0 | 0 | 0 | 108.8 | V10 A11 I253 M258 V282 S283 | V10-I22 CarbonylContact C-O 3.58Å; V10-I22 VanDerWaalsContact CA-O 3.28Å; V10-I22 WeakPolarHBondContact CA-O 3.49Å; A11-I22 HydrophobicContact CB-CB 4.48Å; A11-I22 PolarHBondContact N-O 3.43Å; A11-I22 PolarHBondContact O-N 3.17Å; I22-I253 HydrophobicContact CD1-CG2 4.22Å; I22-I253 WeakPolarHBondContact CD1-O 3.37Å; I22-M258 HydrophobicContact CG2-CB 3.79Å; I22-M258 HydrophobicContact CG2-CE 3.92Å; I22-M258 HydrophobicContact CG2-CG 4.06Å; I22-V282 HydrophobicContact CG2-CG1 4.36Å; I22-S283 CarbonylContact C-O 3.56Å; I22-S283 VanDerWaalsContact CA-O 3.27Å; I22-S283 WeakPolarHBondContact CA-O 3.19Å |
| 23 | F | 98.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.6 | 178.3 | -179.8 | -86.7 | 0 | 0 | 0 | 109.5 | T8 F9 V10 K25 C88 L156 S158 M281 V282 S283 | T8-F23 HydrophobicContact CG2-CE1 4.19Å; T8-F23 HydrophobicContact CG2-CE2 3.69Å; T8-F23 HydrophobicContact CG2-CZ 3.37Å; F9-F23 CarbonylContact O-C 3.56Å; F9-F23 WeakPolarHBondContact O-CA 3.47Å; V10-F23 HydrophobicContact CB-CD2 4.5Å; F23-K25 HydrophobicContact CE1-CB 4.1Å; F23-C88 HydrophobicContact CB-CB 4.26Å; F23-C88 HydrophobicContact CD1-CB 4.07Å; F23-C88 HydrophobicContact CD2-CB 4.16Å; F23-C88 HydrophobicContact CE1-CB 4.48Å; F23-C88 HydrophobicContact CG-CB 3.9Å; F23-L156 HydrophobicContact CE2-CB 4.23Å; F23-L156 HydrophobicContact CE2-CD2 4.12Å; F23-L156 HydrophobicContact CE2-CG 4.1Å; F23-L156 WeakPolarHBondContact CE2-O 3.46Å; F23-S158 WeakPolarHBondContact CD2-OG 3.43Å; F23-M281 HydrophobicContact CE1-SD 4.5Å; F23-V282 CarbonylContact O-C 3.45Å; F23-V282 WeakPolarHBondContact O-CA 3.25Å; F23-S283 PolarHBondContact N-O 3.11Å; F23-S283 PolarHBondContact O-N 3.18Å |
| 24 | G | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T8 F9 M281 | T8-G24 CarbonylContact C-O 3.5Å; T8-G24 WeakPolarHBondContact CA-O 3.15Å; F9-G24 PolarHBondContact N-O 3.43Å; F9-G24 PolarHBondContact O-N 2.99Å; G24-M281 CarbonylContact C-O 3.59Å; G24-M281 VanDerWaalsContact CA-O 3.26Å; G24-M281 WeakPolarHBondContact CA-O 3.35Å |
| 25 | K | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.3 | 171.6 | 174.7 | -180 | -176 | -177.4 | 0 | 111.1 | D7 T8 F23 E79 M80 N91 S280 M281 | D7-K25 WeakPolarHBondContact O-CA 3.42Å; T8-K25 HydrophobicContact CG2-CB 4.08Å; T8-K25 WeakPolarHBondContact OG1-CG 3.46Å; F23-K25 HydrophobicContact CE1-CB 4.1Å; K25-E79 WeakPolarHBondContact CD-O 3.44Å; K25-E79 PolarHBondContact NZ-O 2.74Å; K25-E79 IonicContact NZ-OE2 3.78Å; K25-E79 PolarHBondContact NZ-OE2 3.43Å; K25-M80 HydrophobicContact CB-CB 4.47Å; K25-M80 HydrophobicContact CB-SD 3.52Å; K25-M80 VanDerWaalsContact CB-SD 3.52Å; K25-M80 HydrophobicContact CD-CB 3.72Å; K25-M80 HydrophobicContact CD-CG 4.04Å; K25-M80 HydrophobicContact CD-SD 3.6Å; K25-M80 HydrophobicContact CG-SD 3.53Å; K25-M80 VanDerWaalsContact CG-SD 3.53Å; K25-N91 VanDerWaalsContact CE-O 3.26Å; K25-N91 WeakPolarHBondContact CE-O 3.36Å; K25-N91 PolarHBondContact NZ-O 3.48Å; K25-N91 PolarHBondContact NZ-OD1 2.88Å; K25-S280 CarbonylContact O-C 3.56Å; K25-S280 VanDerWaalsContact O-CA 3.28Å; K25-S280 WeakPolarHBondContact O-CA 3.46Å; K25-M281 PolarHBondContact N-O 2.71Å; K25-M281 PolarHBondContact O-N 2.74Å |
| 26 | N | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.4 | 156.8 | -82.8 | -10 | 0 | 0 | 0 | 110.7 | C6 D7 L262 I269 T277 S280 | C6-N26 WeakPolarHBondContact CB-O 3.34Å; D7-N26 PolarHBondContact O-N 3.25Å; N26-L262 HydrophobicContact CB-CD2 4.47Å; N26-L262 PolarHBondContact ND2-O 3.23Å; N26-I269 PolarHBondContact ND2-O 3.19Å; N26-T277 HydrophobicContact CB-CG2 3.74Å; N26-T277 VanDerWaalsContact CG-CG2 3.46Å; N26-S280 VanDerWaalsContact OD1-CB 3.26Å; N26-S280 WeakPolarHBondContact OD1-CB 3.43Å; N26-S280 PolarHBondContact OD1-OG 2.94Å |
| 27 | S | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 106 | 172.4 | 167.1 | 0 | 0 | 0 | 0 | 109.6 | R29 Q35 E79 T278 G279 | S27-R29 WeakPolarHBondContact OG-CG 3.5Å; S27-Q35 PolarHBondContact OG-NE2 2.91Å; S27-E79 WeakPolarHBondContact OG-CG 3.41Å; S27-T278 PolarHBondContact O-N 3.44Å; S27-T278 PolarHBondContact O-OG1 3.34Å; S27-G279 PolarHBondContact N-O 3.08Å |
| 28 | D | 94 | Very high | 95.6 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111 | -177.2 | -66.7 | -18.8 | 0 | 0 | 0 | 109.9 | S5 C6 R238 M271 M276 T277 | S5-D28 WeakPolarHBondContact O-CB 3.41Å; C6-D28 WeakPolarHBondContact CA-OD2 3.34Å; C6-D28 HydrophobicContact CB-CB 3.82Å; C6-D28 PolarHBondContact SG-N 2.88Å; D28-R238 IonicContact OD2-NH1 3.04Å; D28-R238 PolarHBondContact OD2-NH1 2.76Å; D28-R238 IonicContact OD2-NH2 3.96Å; D28-M271 HydrophobicContact CB-CE 3.99Å; D28-M271 HydrophobicContact CB-SD 4.46Å; D28-M276 WeakPolarHBondContact CA-O 3.15Å; D28-T277 WeakPolarHBondContact OD1-CA 3.41Å; D28-T277 VanDerWaalsContact OD1-CB 3.26Å; D28-T277 WeakPolarHBondContact OD1-CB 3.43Å; D28-T277 PolarHBondContact OD1-N 2.96Å; D28-T277 PolarHBondContact OD1-OG1 2.94Å |
| 29 | R | 93.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 167.8 | -169.1 | -60.6 | -69.9 | -61.3 | 172.5 | 10 | 109.6 | S27 C31 E33 E79 C142 F275 M276 T278 | S27-R29 WeakPolarHBondContact OG-CG 3.5Å; R29-C31 PolarHBondContact O-N 3.1Å; R29-E33 HydrophobicContact CB-CB 4.45Å; R29-E33 IonicContact CZ-OE2 2.71Å; R29-E33 IonicContact NE-OE2 3.26Å; R29-E33 PolarHBondContact NE-OE2 3.15Å; R29-E33 VanDerWaalsContact NH2-CD 3.26Å; R29-E33 IonicContact NH2-OE1 2.95Å; R29-E33 PolarHBondContact NH2-OE1 3.12Å; R29-E33 IonicContact NH2-OE2 2.94Å; R29-E33 PolarHBondContact NH2-OE2 3.14Å; R29-E79 IonicContact NH1-OE1 2.64Å; R29-C142 PolarHBondContact NH1-O 3.19Å; R29-C142 PolarHBondContact NH2-O 3.04Å; R29-F275 VanDerWaalsContact O-CA 3.29Å; R29-F275 WeakPolarHBondContact O-CA 3.47Å; R29-M276 PolarHBondContact N-O 2.8Å; R29-M276 PolarHBondContact O-N 3.34Å; R29-T278 HydrophobicContact CB-CG2 3.81Å; R29-T278 WeakPolarHBondContact CB-OG1 3.48Å; R29-T278 WeakPolarHBondContact CG-OG1 3.23Å |
| 30 | P | 93.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 7% | 0.071 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 137.3 | 170.5 | -24.7 | 34 | 0 | 0 | 0 | 110.8 | D32 E33 M143 M274 F275 | P30-D32 PolarHBondContact O-N 2.73Å; P30-E33 HydrophobicContact CB-CG 4.19Å; P30-E33 HydrophobicContact CG-CG 4.28Å; P30-E33 WeakPolarHBondContact O-CB 3.21Å; P30-E33 PolarHBondContact O-N 3.3Å; P30-M143 HydrophobicContact CG-CE 3.9Å; P30-M143 HydrophobicContact CG-CG 3.92Å; P30-M143 HydrophobicContact CG-SD 3.86Å; P30-M274 WeakPolarHBondContact CA-O 3.41Å; P30-F275 HydrophobicContact CG-CE1 3.91Å; P30-F275 HydrophobicContact CG-CE2 4.41Å; P30-F275 HydrophobicContact CG-CZ 3.79Å |
| 31 | C | 91.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 18.9 Ų | 18.9 | 32% | 0.318 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.8 | -170.5 | 60 | 0 | 0 | 0 | 0 | 115 | R29 G273 M274 M276 | R29-C31 PolarHBondContact O-N 3.1Å; C31-G273 WeakPolarHBondContact CB-O 3.38Å; C31-M274 PolarHBondContact N-O 2.88Å; C31-M276 HydrophobicContact CB-CB 4.47Å; C31-M276 HydrophobicContact CB-CG 3.9Å; C31-M276 HydrophobicContact CB-SD 3.53Å; C31-M276 VanDerWaalsContact CB-SD 3.53Å |
| 32 | D | 89.6 | Confident | 96.3 | Very high | 93 Ų | 93 | 20.8 Ų | 20.8 | 50% | 0.497 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.5 | 176.1 | 70.8 | -19.3 | 0 | 0 | 0 | 113.6 | P30 K343 | P30-D32 PolarHBondContact O-N 2.73Å; D32-K343 IonicContact OD1-NZ 2.83Å; D32-K343 PolarHBondContact OD1-NZ 3.33Å; D32-K343 WeakPolarHBondContact OD2-CE 3.47Å; D32-K343 IonicContact OD2-NZ 2.98Å; D32-K343 PolarHBondContact OD2-NZ 3.18Å |
| 33 | E | 93.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 129.2 | 172.1 | -75.1 | -168 | 176.8 | 0 | 0 | 111.5 | R29 P30 W74 E144 | R29-E33 HydrophobicContact CB-CB 4.45Å; R29-E33 IonicContact CZ-OE2 2.71Å; R29-E33 IonicContact NE-OE2 3.26Å; R29-E33 PolarHBondContact NE-OE2 3.15Å; R29-E33 VanDerWaalsContact NH2-CD 3.26Å; R29-E33 IonicContact NH2-OE1 2.95Å; R29-E33 PolarHBondContact NH2-OE1 3.12Å; R29-E33 IonicContact NH2-OE2 2.94Å; R29-E33 PolarHBondContact NH2-OE2 3.14Å; P30-E33 HydrophobicContact CB-CG 4.19Å; P30-E33 HydrophobicContact CG-CG 4.28Å; P30-E33 WeakPolarHBondContact O-CB 3.21Å; P30-E33 PolarHBondContact O-N 3.3Å; E33-W74 PolarHBondContact OE1-NE1 2.85Å; E33-E144 PolarHBondContact OE1-N 2.97Å |
| 34 | V | 96.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 130.6 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | P72 A73 R346 K347 H348 F351 | V34-P72 CarbonylContact O-C 3.6Å; V34-P72 WeakPolarHBondContact O-CA 3.34Å; V34-A73 HydrophobicContact CB-CB 4.09Å; V34-A73 HydrophobicContact CG1-CB 4.35Å; V34-A73 WeakPolarHBondContact O-CB 3.43Å; V34-A73 PolarHBondContact O-N 3.14Å; V34-R346 HydrophobicContact CB-CB 4.39Å; V34-R346 HydrophobicContact CG2-CB 4.38Å; V34-K347 HydrophobicContact CG2-CB 4.46Å; V34-K347 HydrophobicContact CG2-CG 3.86Å; V34-H348 WeakPolarHBondContact CG1-CD2 3.48Å; V34-F351 HydrophobicContact CB-CD2 4.36Å; V34-F351 HydrophobicContact CB-CE2 4.4Å; V34-F351 HydrophobicContact CG1-CB 4.5Å; V34-F351 HydrophobicContact CG1-CD2 3.91Å; V34-F351 HydrophobicContact CG1-CE2 4.41Å; V34-F351 HydrophobicContact CG1-CG 4.28Å; V34-F351 HydrophobicContact CG2-CD1 4.34Å; V34-F351 HydrophobicContact CG2-CD2 4.11Å; V34-F351 HydrophobicContact CG2-CE1 4.28Å; V34-F351 HydrophobicContact CG2-CE2 4.02Å; V34-F351 HydrophobicContact CG2-CG 4.26Å; V34-F351 HydrophobicContact CG2-CZ 4.11Å |
| 35 | Q | 95.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.1 | 170.5 | -93.1 | -79.3 | -8.1 | 0 | 0 | 110.2 | S27 S70 K71 T278 H348 | S27-Q35 PolarHBondContact OG-NE2 2.91Å; Q35-S70 PolarHBondContact OE1-OG 3.24Å; Q35-K71 CarbonylContact C-O 3.52Å; Q35-K71 WeakPolarHBondContact CA-O 3.33Å; Q35-K71 VanDerWaalsContact CD-C 3.49Å; Q35-K71 VanDerWaalsContact OE1-CA 3.3Å; Q35-K71 PolarHBondContact OE1-O 2.86Å; Q35-T278 WeakPolarHBondContact CB-O 3.44Å; Q35-T278 WeakPolarHBondContact CG-OG1 3.35Å; Q35-H348 PolarHBondContact O-NE2 3.08Å; Q35-H348 VanDerWaalsContact O-NE2 3.17Å |
| 36 | E | 97.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 151.7 | 174.7 | -58.9 | 178.6 | 107.8 | 0 | 0 | 110.6 | V38 S70 K71 A73 T323 S325 | E36-V38 HydrophobicContact CB-CG1 4.07Å; E36-S70 CarbonylContact O-C 3.52Å; E36-S70 VanDerWaalsContact O-CA 3.24Å; E36-S70 WeakPolarHBondContact O-CA 3.35Å; E36-K71 HydrophobicContact CB-CG 4.13Å; E36-K71 PolarHBondContact N-O 3.13Å; E36-K71 PolarHBondContact O-N 2.98Å; E36-K71 IonicContact OE2-NZ 2.79Å; E36-K71 PolarHBondContact OE2-NZ 3.31Å; E36-A73 HydrophobicContact CG-CB 3.91Å; E36-A73 WeakPolarHBondContact OE2-CA 3.31Å; E36-T323 WeakPolarHBondContact CA-O 3.4Å; E36-T323 VanDerWaalsContact CB-O 3.3Å; E36-T323 WeakPolarHBondContact CB-O 3.28Å; E36-S325 WeakPolarHBondContact CG-OG 3.42Å; E36-S325 WeakPolarHBondContact OE1-CA 3.43Å; E36-S325 WeakPolarHBondContact OE1-CB 3.09Å; E36-S325 PolarHBondContact OE1-N 3.45Å |
| 37 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.1 | 161.5 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | V68 L69 F297 G299 L320 T323 F404 | V37-V68 HydrophobicContact CG1-CG2 4.14Å; V37-L69 VanDerWaalsContact CA-O 3.31Å; V37-L69 WeakPolarHBondContact CA-O 3.47Å; V37-F297 HydrophobicContact CG1-CB 4Å; V37-F297 HydrophobicContact CG1-CD1 4.44Å; V37-F297 HydrophobicContact CG1-CD2 4.08Å; V37-F297 HydrophobicContact CG1-CG 3.93Å; V37-F297 HydrophobicContact CG2-CB 3.66Å; V37-F297 HydrophobicContact CG2-CD1 4.5Å; V37-F297 HydrophobicContact CG2-CG 4.24Å; V37-G299 VanDerWaalsContact CG2-CA 3.5Å; V37-L320 HydrophobicContact CG1-CD1 3.93Å; V37-T323 PolarHBondContact N-O 2.81Å; V37-T323 WeakPolarHBondContact O-CB 3.32Å; V37-T323 PolarHBondContact O-OG1 3.2Å; V37-F404 HydrophobicContact CB-CE1 4.27Å; V37-F404 HydrophobicContact CB-CZ 3.81Å; V37-F404 HydrophobicContact CG1-CE1 4.25Å; V37-F404 HydrophobicContact CG1-CE2 4Å; V37-F404 HydrophobicContact CG1-CZ 3.7Å; V37-F404 HydrophobicContact CG2-CZ 4.11Å |
| 38 | V | 98.4 | Very high | 96 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.1 | -173 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | E36 F40 V68 L69 K71 | E36-V38 HydrophobicContact CB-CG1 4.07Å; V38-F40 HydrophobicContact CB-CE2 4.21Å; V38-F40 HydrophobicContact CG2-CD2 4.33Å; V38-F40 HydrophobicContact CG2-CE2 3.52Å; V38-F40 HydrophobicContact CG2-CZ 4.12Å; V38-V68 CarbonylContact O-C 3.59Å; V38-V68 WeakPolarHBondContact O-CA 3.35Å; V38-L69 HydrophobicContact CG2-CB 4.11Å; V38-L69 PolarHBondContact N-O 2.96Å; V38-L69 PolarHBondContact O-N 3.48Å; V38-K71 HydrophobicContact CG2-CD 3.83Å; V38-K71 HydrophobicContact CG2-CG 4.15Å |
| 39 | H | 98.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 12% | 0.12 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131 | 176.7 | 164.3 | -111.7 | 0 | 0 | 0 | 110 | V67 F311 L320 | H39-V67 CarbonylContact C-O 3.51Å; H39-V67 WeakPolarHBondContact CA-O 3.47Å; H39-V67 PolarHBondContact CD2-O 3.17Å; H39-V67 VanDerWaalsContact CD2-O 3.3Å; H39-F311 HydrophobicContact CB-CE2 4.2Å; H39-F311 HydrophobicContact CB-CZ 4.3Å; H39-F311 AromaticContact CD2-CZ 3.71Å; H39-F311 AromaticContact CG-CZ 3.98Å; H39-L320 HydrophobicContact CB-CD1 4.17Å; H39-L320 HydrophobicContact CB-CG 4.19Å |
| 40 | F | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.2 | 173.1 | -63 | -81.6 | 0 | 0 | 0 | 109.2 | V38 A66 V67 L69 | V38-F40 HydrophobicContact CB-CE2 4.21Å; V38-F40 HydrophobicContact CG2-CD2 4.33Å; V38-F40 HydrophobicContact CG2-CE2 3.52Å; V38-F40 HydrophobicContact CG2-CZ 4.12Å; F40-A66 CarbonylContact O-C 3.51Å; F40-A66 WeakPolarHBondContact O-CA 3.13Å; F40-V67 HydrophobicContact CB-CG2 3.93Å; F40-V67 HydrophobicContact CD2-CG2 4.08Å; F40-V67 HydrophobicContact CG-CG2 4.49Å; F40-V67 PolarHBondContact N-O 3.18Å; F40-V67 PolarHBondContact O-N 3.14Å; F40-L69 HydrophobicContact CD2-CD1 3.98Å; F40-L69 HydrophobicContact CE2-CD1 3.95Å |
| 41 | P | 97.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | trans | -73.6 | 160.7 | 178 | 32.2 | -35.9 | 0 | 0 | 0 | 111.5 | ||||
| 42 | A | 97.8 | Very high | 97 | Very high | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | trans | -59.3 | 145.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T64 A66 E84 | A42-T64 CarbonylContact C-O 3.54Å; A42-T64 WeakPolarHBondContact CA-O 3.47Å; A42-T64 WeakPolarHBondContact CB-O 3.19Å; A42-A66 HydrophobicContact CB-CB 4.26Å; A42-E84 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 43 | R | 97.6 | Very high | 97.4 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 140.1 | -173.9 | -179.8 | 169.4 | 172.7 | -169.3 | -3.3 | 111.9 | Y45 H63 T64 | R43-Y45 HydrophobicContact CB-CE2 3.96Å; R43-Y45 HydrophobicContact CG-CD2 4.42Å; R43-Y45 HydrophobicContact CG-CE1 4.1Å; R43-Y45 HydrophobicContact CG-CE2 3.89Å; R43-Y45 WeakPolarHBondContact O-CE2 3.42Å; R43-H63 WeakPolarHBondContact O-CA 3.16Å; R43-T64 PolarHBondContact N-O 2.78Å; R43-T64 PolarHBondContact O-N 3.49Å |
| 44 | D | 98.4 | Very high | 97.6 | Very high | 118 Ų | 118 | 57.5 Ų | 57.5 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 145.4 | 167.5 | -59.6 | -49.5 | 0 | 0 | 0 | 110.9 | A62 H63 | D44-A62 CarbonylContact C-O 3.6Å; D44-A62 WeakPolarHBondContact CA-O 3.44Å; D44-H63 IonicContact OD1-CE1 3.77Å; D44-H63 IonicContact OD1-CG 3.65Å; D44-H63 IonicContact OD1-ND1 2.76Å; D44-H63 PolarHBondContact OD1-ND1 3.27Å |
| 45 | Y | 98.2 | Very high | 97.7 | Very high | 47 Ų | 47 | 58 Ų | 58 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | trans | -125.1 | 149.8 | 179.7 | -58.8 | -92.5 | 0 | 0 | 0 | 110.6 | R43 Q60 V61 A62 T64 | R43-Y45 HydrophobicContact CB-CE2 3.96Å; R43-Y45 HydrophobicContact CG-CD2 4.42Å; R43-Y45 HydrophobicContact CG-CE1 4.1Å; R43-Y45 HydrophobicContact CG-CE2 3.89Å; R43-Y45 WeakPolarHBondContact O-CE2 3.42Å; Y45-Q60 HydrophobicContact CD1-CG 3.86Å; Y45-Q60 HydrophobicContact CD2-CG 3.79Å; Y45-Q60 HydrophobicContact CE1-CG 4.27Å; Y45-Q60 HydrophobicContact CE2-CG 4.22Å; Y45-Q60 HydrophobicContact CG-CG 3.6Å; Y45-V61 WeakPolarHBondContact CD2-O 3.36Å; Y45-A62 PolarHBondContact N-O 2.9Å; Y45-T64 HydrophobicContact CD2-CG2 4.43Å; Y45-T64 HydrophobicContact CE2-CG2 3.65Å; Y45-T64 WeakPolarHBondContact CE2-OG1 3.24Å | ||
| 46 | G | 97.9 | Very high | 97.8 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | trans | -69 | 165.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | E49 | G46-E49 WeakPolarHBondContact CA-OE1 3.49Å; G46-E49 PolarHBondContact N-OE1 2.92Å | ||
| 47 | P | 95.9 | Very high | 97.8 | Very high | 125 Ų | 125 | 64.8 Ų | 64.8 | 81% | 0.812 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 145.8 | 175.2 | 28.7 | -34.7 | 0 | 0 | 0 | 110.8 | E49 | P47-E49 PolarHBondContact O-N 3.41Å; P47-E49 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 95 | Very high | 97.8 | Very high | 183 Ų | 183 | 64.8 Ų | 64.8 | 86% | 0.855 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 9.2 | 177.6 | -51.7 | 179.9 | 173.7 | 0 | 0 | 115.1 | ||
| 49 | E | 98.3 | Very high | 97.8 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | trans | -61.3 | 147.7 | 169.6 | -75.8 | -162.2 | -130.3 | 0 | 0 | 110.6 | G46 P47 Q60 | G46-E49 WeakPolarHBondContact CA-OE1 3.49Å; G46-E49 PolarHBondContact N-OE1 2.92Å; P47-E49 PolarHBondContact O-N 3.41Å; P47-E49 VanDerWaalsContact O-N 3.08Å; E49-Q60 HydrophobicContact CB-CB 4.19Å; E49-Q60 WeakPolarHBondContact O-CB 3.16Å; E49-Q60 PolarHBondContact O-N 2.92Å | ||
| 50 | K | 98.3 | Very high | 97.8 | Very high | 119 Ų | 119 | 67.8 Ų | 67.8 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.8 | 177.7 | -64.4 | -171.4 | 179.6 | -162.6 | 0 | 110 | I58 E59 | K50-I58 VanDerWaalsContact CA-O 3.27Å; K50-I58 WeakPolarHBondContact CA-O 3.42Å; K50-I58 WeakPolarHBondContact CB-O 3.3Å; K50-E59 WeakPolarHBondContact CE-OE1 3.13Å; K50-E59 IonicContact NZ-OE1 3.1Å; K50-E59 PolarHBondContact NZ-OE1 3.37Å |
| 51 | V | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.7 | 171.1 | 60.3 | 0 | 0 | 0 | 0 | 109.2 | Q57 I58 W76 | V51-Q57 VanDerWaalsContact O-CA 3.32Å; V51-Q57 WeakPolarHBondContact O-CA 3.21Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å; V51-I58 HydrophobicContact CG1-CG1 3.49Å; V51-I58 VanDerWaalsContact CG1-CG1 3.49Å; V51-I58 PolarHBondContact N-O 3.2Å; V51-I58 PolarHBondContact O-N 3.34Å; V51-W76 HydrophobicContact CG2-CH2 4.41Å; V51-W76 HydrophobicContact CG2-CZ2 3.62Å |
| 52 | E | 98 | Very high | 97.8 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 108.2 | 172.1 | -169.5 | -179.6 | 173 | 0 | 0 | 109.1 | Q57 K335 | E52-Q57 HydrophobicContact CB-CG 3.78Å; E52-Q57 HydrophobicContact CG-CG 3.89Å; E52-K335 VanDerWaalsContact OE1-CD 3.31Å; E52-K335 WeakPolarHBondContact OE1-CD 3.16Å; E52-K335 VanDerWaalsContact OE1-CE 3.24Å; E52-K335 WeakPolarHBondContact OE1-CE 3.16Å; E52-K335 IonicContact OE1-NZ 3.7Å; E52-K335 PolarHBondContact OE1-NZ 2.73Å |
| 53 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -79.5 | -158.3 | 174 | -61 | 0 | 0 | 0 | 0 | 110.1 | I56 W76 L106 D110 K335 | C53-I56 WeakPolarHBondContact CB-O 3.48Å; C53-I56 PolarHBondContact N-O 3.31Å; C53-W76 HydrophobicContact CB-CD2 4.27Å; C53-W76 HydrophobicContact CB-CE3 3.75Å; C53-W76 HydrophobicContact CB-CZ3 4.08Å; C53-W76 VanDerWaalsContact SG-CZ3 3.55Å; C53-L106 HydrophobicContact CB-CD2 3.98Å; C53-D110 HydrophobicContact CB-CB 4.36Å; C53-K335 PolarHBondContact O-NZ 3.25Å | ||
| 54 | T | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -63.4 | -52.8 | -177.5 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | W74 L75 W76 L107 D110 V334 | T54-W74 HydrophobicContact CG2-CE3 4.48Å; T54-W74 HydrophobicContact CG2-CH2 4.44Å; T54-W74 HydrophobicContact CG2-CZ3 3.74Å; T54-L75 HydrophobicContact CG2-CB 3.91Å; T54-W76 PolarHBondContact OG1-N 2.8Å; T54-L107 HydrophobicContact CG2-CD1 3.69Å; T54-D110 WeakPolarHBondContact CB-OD1 2.95Å; T54-D110 WeakPolarHBondContact CB-OD2 3.47Å; T54-D110 PolarHBondContact N-OD1 2.96Å; T54-D110 PolarHBondContact N-OD2 3.3Å; T54-D110 PolarHBondContact OG1-OD1 3.42Å; T54-D110 PolarHBondContact OG1-OD2 3.34Å; T54-V334 HydrophobicContact CG2-CG2 3.84Å |
| 55 | Y | 97.6 | Very high | 98 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -113.8 | -30.4 | -177 | -61.5 | -51 | 0 | 0 | 0 | 115.9 | E104 L107 S141 V334 F340 | Y55-E104 HydrophobicContact CD1-CG 4.36Å; Y55-E104 WeakPolarHBondContact CD1-OE1 3.45Å; Y55-E104 HydrophobicContact CD2-CG 4.31Å; Y55-E104 HydrophobicContact CG-CB 4.27Å; Y55-E104 HydrophobicContact CG-CG 4Å; Y55-L107 HydrophobicContact CD2-CD1 4.15Å; Y55-L107 HydrophobicContact CD2-CD2 4.15Å; Y55-L107 HydrophobicContact CD2-CG 3.95Å; Y55-L107 HydrophobicContact CE2-CD1 3.62Å; Y55-L107 HydrophobicContact CE2-CD2 3.79Å; Y55-L107 HydrophobicContact CE2-CG 3.79Å; Y55-S141 VanDerWaalsContact CE2-O 3.29Å; Y55-S141 WeakPolarHBondContact CE2-O 3.4Å; Y55-S141 VanDerWaalsContact CZ-O 3.32Å; Y55-S141 PolarHBondContact OH-O 3.13Å; Y55-V334 HydrophobicContact CD1-CG2 4.38Å; Y55-V334 HydrophobicContact CE1-CG2 3.87Å; Y55-F340 HydrophobicContact CE1-CE2 4.49Å; Y55-F340 HydrophobicContact CE1-CZ 4.23Å; Y55-F340 WeakPolarHBondContact OH-CE2 3.37Å; Y55-F340 WeakPolarHBondContact OH-CZ 3.13Å |
| 56 | I | 98 | Very high | 98 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | trans | -122.3 | 160.3 | -174.9 | 68.6 | 165.9 | 0 | 0 | 0 | 111.8 | C53 I58 L106 Y136 | C53-I56 WeakPolarHBondContact CB-O 3.48Å; C53-I56 PolarHBondContact N-O 3.31Å; I56-I58 HydrophobicContact CD1-CG2 3.81Å; I56-I58 HydrophobicContact CG1-CG2 4.1Å; I56-L106 HydrophobicContact CD1-CD2 3.97Å; I56-L106 HydrophobicContact CD1-CG 3.97Å; I56-L106 HydrophobicContact CG1-CD2 3.91Å; I56-L106 HydrophobicContact CG1-CG 4.41Å; I56-Y136 HydrophobicContact CD1-CD1 4.47Å | ||
| 57 | Q | 98.3 | Very high | 98 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.3 | 166.8 | -83.4 | -179.9 | -10.5 | 0 | 0 | 110.5 | V51 E52 | V51-Q57 VanDerWaalsContact O-CA 3.32Å; V51-Q57 WeakPolarHBondContact O-CA 3.21Å; E52-Q57 HydrophobicContact CB-CG 3.78Å; E52-Q57 HydrophobicContact CG-CG 3.89Å |
| 58 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 165.7 | 175.3 | 68.8 | 168.9 | 0 | 0 | 0 | 111.1 | K50 V51 I56 L106 L114 L132 Y136 | K50-I58 VanDerWaalsContact CA-O 3.27Å; K50-I58 WeakPolarHBondContact CA-O 3.42Å; K50-I58 WeakPolarHBondContact CB-O 3.3Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å; V51-I58 HydrophobicContact CG1-CG1 3.49Å; V51-I58 VanDerWaalsContact CG1-CG1 3.49Å; V51-I58 PolarHBondContact N-O 3.2Å; V51-I58 PolarHBondContact O-N 3.34Å; I56-I58 HydrophobicContact CD1-CG2 3.81Å; I56-I58 HydrophobicContact CG1-CG2 4.1Å; I58-L106 HydrophobicContact CD1-CD2 4.48Å; I58-L106 HydrophobicContact CG2-CD2 3.97Å; I58-L114 HydrophobicContact CD1-CD1 3.66Å; I58-L114 HydrophobicContact CD1-CD2 3.87Å; I58-L114 HydrophobicContact CD1-CG 4.45Å; I58-L132 HydrophobicContact CD1-CD2 3.91Å; I58-Y136 HydrophobicContact CB-CD1 4.34Å; I58-Y136 HydrophobicContact CB-CD2 4.27Å; I58-Y136 HydrophobicContact CB-CE1 3.94Å; I58-Y136 HydrophobicContact CB-CE2 3.85Å; I58-Y136 HydrophobicContact CB-CG 4.5Å; I58-Y136 HydrophobicContact CD1-CE2 4.43Å; I58-Y136 HydrophobicContact CG2-CD1 3.64Å; I58-Y136 HydrophobicContact CG2-CD2 3.86Å; I58-Y136 HydrophobicContact CG2-CE1 3.74Å; I58-Y136 HydrophobicContact CG2-CE2 3.95Å; I58-Y136 HydrophobicContact CG2-CG 3.7Å |
| 59 | E | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 40 Ų | 40 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 135.1 | 174 | -56.5 | -56.2 | 139.8 | 0 | 0 | 109.9 | K50 R118 Y136 | K50-E59 WeakPolarHBondContact CE-OE1 3.13Å; K50-E59 IonicContact NZ-OE1 3.1Å; K50-E59 PolarHBondContact NZ-OE1 3.37Å; E59-R118 PolarHBondContact O-NH2 3.43Å; E59-R118 VanDerWaalsContact O-NH2 3.12Å; E59-Y136 WeakPolarHBondContact CG-OH 3.4Å; E59-Y136 PolarHBondContact N-OH 2.88Å |
| 60 | Q | 98.1 | Very high | 98.4 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 150 | 175.8 | -171.3 | 53.1 | -66.4 | 0 | 0 | 110.7 | Y45 E49 | Y45-Q60 HydrophobicContact CD1-CG 3.86Å; Y45-Q60 HydrophobicContact CD2-CG 3.79Å; Y45-Q60 HydrophobicContact CE1-CG 4.27Å; Y45-Q60 HydrophobicContact CE2-CG 4.22Å; Y45-Q60 HydrophobicContact CG-CG 3.6Å; E49-Q60 HydrophobicContact CB-CB 4.19Å; E49-Q60 WeakPolarHBondContact O-CB 3.16Å; E49-Q60 PolarHBondContact O-N 2.92Å |
| 61 | V | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -85.8 | 157.7 | 171 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | Y45 H63 T64 R118 | Y45-V61 WeakPolarHBondContact CD2-O 3.36Å; V61-H63 WeakPolarHBondContact CG2-O 3.34Å; V61-H63 PolarHBondContact O-N 2.91Å; V61-T64 HydrophobicContact CG2-CG2 3.93Å; V61-R118 HydrophobicContact CG1-CG 4.39Å; V61-R118 HydrophobicContact CG2-CG 3.83Å |
| 62 | A | 98.1 | Very high | 98.3 | Very high | 75 Ų | 75 | 30.7 Ų | 30.7 | 62% | 0.62 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -60.9 | -29.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D44 Y45 | D44-A62 CarbonylContact C-O 3.6Å; D44-A62 WeakPolarHBondContact CA-O 3.44Å; Y45-A62 PolarHBondContact N-O 2.9Å |
| 63 | H | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 26.7 Ų | 26.7 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.6 | -177.5 | -176.1 | 78.1 | 0 | 0 | 0 | 110.9 | R43 D44 V61 Y65 | R43-H63 WeakPolarHBondContact O-CA 3.16Å; D44-H63 IonicContact OD1-CE1 3.77Å; D44-H63 IonicContact OD1-CG 3.65Å; D44-H63 IonicContact OD1-ND1 2.76Å; D44-H63 PolarHBondContact OD1-ND1 3.27Å; V61-H63 WeakPolarHBondContact CG2-O 3.34Å; V61-H63 PolarHBondContact O-N 2.91Å; H63-Y65 AromaticContact CD2-CD1 3.74Å; H63-Y65 AromaticContact CD2-CE1 3.67Å; H63-Y65 AromaticContact NE2-CD1 3.6Å; H63-Y65 AromaticContact NE2-CE1 3.82Å |
| 64 | T | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.5 | 167.5 | 60.3 | 0 | 0 | 0 | 0 | 111 | A42 R43 Y45 V61 E117 | A42-T64 CarbonylContact C-O 3.54Å; A42-T64 WeakPolarHBondContact CA-O 3.47Å; A42-T64 WeakPolarHBondContact CB-O 3.19Å; R43-T64 PolarHBondContact N-O 2.78Å; R43-T64 PolarHBondContact O-N 3.49Å; Y45-T64 HydrophobicContact CD2-CG2 4.43Å; Y45-T64 HydrophobicContact CE2-CG2 3.65Å; Y45-T64 WeakPolarHBondContact CE2-OG1 3.24Å; V61-T64 HydrophobicContact CG2-CG2 3.93Å; T64-E117 CarbonylContact C-O 3.51Å; T64-E117 WeakPolarHBondContact CA-O 3.4Å; T64-E117 HydrophobicContact CG2-CB 4.04Å |
| 65 | Y | 98.8 | Very high | 98.1 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | trans | -74.6 | 156.8 | 174 | -56.9 | -51.3 | 0 | 0 | 0 | 112.3 | H63 E84 H85 E117 A119 D120 | H63-Y65 AromaticContact CD2-CD1 3.74Å; H63-Y65 AromaticContact CD2-CE1 3.67Å; H63-Y65 AromaticContact NE2-CD1 3.6Å; H63-Y65 AromaticContact NE2-CE1 3.82Å; Y65-E84 WeakPolarHBondContact CA-OE1 3.2Å; Y65-H85 AromaticContact CD1-CD2 3.55Å; Y65-H85 AromaticContact CD1-NE2 3.16Å; Y65-H85 WeakPolarHBondContact CD1-NE2 3.27Å; Y65-H85 AromaticContact CD2-CD2 3.74Å; Y65-H85 AromaticContact CE1-CD2 3.78Å; Y65-H85 AromaticContact CE1-NE2 3.16Å; Y65-H85 WeakPolarHBondContact CE1-NE2 3.35Å; Y65-H85 AromaticContact CE2-CD2 3.95Å; Y65-H85 AromaticContact CG-CD2 3.53Å; Y65-H85 AromaticContact CG-NE2 3.69Å; Y65-H85 AromaticContact CZ-CD2 3.95Å; Y65-H85 AromaticContact CZ-NE2 3.67Å; Y65-E117 PolarHBondContact N-O 3.09Å; Y65-A119 VanDerWaalsContact CE2-C 3.48Å; Y65-D120 HydrophobicContact CE2-CB 4.02Å | ||
| 66 | A | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | trans | -67.6 | 138.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F40 A42 N83 E84 F313 | F40-A66 CarbonylContact O-C 3.51Å; F40-A66 WeakPolarHBondContact O-CA 3.13Å; A42-A66 HydrophobicContact CB-CB 4.26Å; A66-N83 CarbonylContact O-C 3.54Å; A66-N83 WeakPolarHBondContact O-CA 3.5Å; A66-N83 WeakPolarHBondContact O-CB 3.43Å; A66-E84 HydrophobicContact CB-CB 4.22Å; A66-E84 HydrophobicContact CB-CG 4.39Å; A66-E84 PolarHBondContact N-OE1 2.94Å; A66-E84 PolarHBondContact O-N 3.02Å; A66-F313 HydrophobicContact CB-CD1 4.37Å; A66-F313 HydrophobicContact CB-CE1 4.22Å | ||
| 67 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.8 | -177 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | H39 F40 L69 A82 N83 L116 E117 | H39-V67 CarbonylContact C-O 3.51Å; H39-V67 WeakPolarHBondContact CA-O 3.47Å; H39-V67 PolarHBondContact CD2-O 3.17Å; H39-V67 VanDerWaalsContact CD2-O 3.3Å; F40-V67 HydrophobicContact CB-CG2 3.93Å; F40-V67 HydrophobicContact CD2-CG2 4.08Å; F40-V67 HydrophobicContact CG-CG2 4.49Å; F40-V67 PolarHBondContact N-O 3.18Å; F40-V67 PolarHBondContact O-N 3.14Å; V67-L69 HydrophobicContact CB-CD2 4.03Å; V67-L69 HydrophobicContact CB-CG 4.31Å; V67-L69 HydrophobicContact CG2-CD1 4.05Å; V67-L69 HydrophobicContact CG2-CD2 4.07Å; V67-L69 HydrophobicContact CG2-CG 3.93Å; V67-A82 WeakPolarHBondContact CA-O 3.43Å; V67-N83 HydrophobicContact CG1-CB 3.85Å; V67-L116 HydrophobicContact CG1-CB 3.74Å; V67-E117 HydrophobicContact CG1-CG 3.89Å; V67-E117 HydrophobicContact CG2-CG 4.11Å |
| 68 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.2 | 163.4 | 62 | 0 | 0 | 0 | 0 | 108.1 | V37 V38 G81 A82 F297 F311 F313 L320 | V37-V68 HydrophobicContact CG1-CG2 4.14Å; V38-V68 CarbonylContact O-C 3.59Å; V38-V68 WeakPolarHBondContact O-CA 3.35Å; V68-G81 CarbonylContact O-C 3.55Å; V68-G81 WeakPolarHBondContact O-CA 3.34Å; V68-A82 HydrophobicContact CG1-CB 4.29Å; V68-A82 PolarHBondContact N-O 2.94Å; V68-A82 PolarHBondContact O-N 3.49Å; V68-F297 HydrophobicContact CB-CE2 4.37Å; V68-F297 HydrophobicContact CB-CZ 4.48Å; V68-F297 HydrophobicContact CG1-CE2 3.74Å; V68-F297 HydrophobicContact CG1-CZ 3.78Å; V68-F297 HydrophobicContact CG2-CD2 4.32Å; V68-F297 HydrophobicContact CG2-CE2 3.68Å; V68-F297 HydrophobicContact CG2-CZ 4.02Å; V68-F311 HydrophobicContact CB-CD1 3.92Å; V68-F311 HydrophobicContact CB-CE1 3.82Å; V68-F311 HydrophobicContact CB-CG 4.4Å; V68-F311 HydrophobicContact CB-CZ 4.2Å; V68-F311 HydrophobicContact CG1-CD1 3.68Å; V68-F311 HydrophobicContact CG1-CE1 3.87Å; V68-F311 HydrophobicContact CG1-CG 4.41Å; V68-F311 HydrophobicContact CG2-CD1 4.14Å; V68-F311 HydrophobicContact CG2-CD2 4.31Å; V68-F311 HydrophobicContact CG2-CE1 4.37Å; V68-F311 HydrophobicContact CG2-CG 4.11Å; V68-F313 HydrophobicContact CB-CZ 4.26Å; V68-F313 HydrophobicContact CG1-CE2 4.08Å; V68-F313 HydrophobicContact CG1-CZ 3.75Å; V68-L320 HydrophobicContact CG2-CD1 4.45Å |
| 69 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.9 | -169.5 | -55.5 | 178.2 | 0 | 0 | 0 | 110.5 | V37 V38 F40 V67 A78 M80 R113 L116 | V37-L69 VanDerWaalsContact CA-O 3.31Å; V37-L69 WeakPolarHBondContact CA-O 3.47Å; V38-L69 HydrophobicContact CG2-CB 4.11Å; V38-L69 PolarHBondContact N-O 2.96Å; V38-L69 PolarHBondContact O-N 3.48Å; F40-L69 HydrophobicContact CD2-CD1 3.98Å; F40-L69 HydrophobicContact CE2-CD1 3.95Å; V67-L69 HydrophobicContact CB-CD2 4.03Å; V67-L69 HydrophobicContact CB-CG 4.31Å; V67-L69 HydrophobicContact CG2-CD1 4.05Å; V67-L69 HydrophobicContact CG2-CD2 4.07Å; V67-L69 HydrophobicContact CG2-CG 3.93Å; L69-A78 HydrophobicContact CB-CB 3.91Å; L69-A78 HydrophobicContact CD1-CB 4.14Å; L69-A78 HydrophobicContact CD2-CB 3.93Å; L69-A78 HydrophobicContact CG-CB 4.21Å; L69-M80 WeakPolarHBondContact CA-O 3.27Å; L69-R113 HydrophobicContact CD1-CB 4.38Å; L69-R113 HydrophobicContact CD1-CG 3.84Å; L69-L116 HydrophobicContact CD2-CD1 3.58Å |
| 70 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.7 | 157.1 | -165.9 | 0 | 0 | 0 | 0 | 108.4 | Q35 E36 E79 M80 | Q35-S70 PolarHBondContact OE1-OG 3.24Å; E36-S70 CarbonylContact O-C 3.52Å; E36-S70 VanDerWaalsContact O-CA 3.24Å; E36-S70 WeakPolarHBondContact O-CA 3.35Å; S70-E79 PolarHBondContact O-N 3.31Å; S70-M80 PolarHBondContact N-O 2.86Å; S70-M80 PolarHBondContact O-N 3.17Å; S70-M80 WeakPolarHBondContact OG-CE 2.94Å |
| 71 | K | 97.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.5 | -175.1 | 59.6 | 173.6 | -67.8 | -60.5 | 0 | 113.5 | Q35 E36 V38 A73 L75 G77 A78 | Q35-K71 CarbonylContact C-O 3.52Å; Q35-K71 WeakPolarHBondContact CA-O 3.33Å; Q35-K71 VanDerWaalsContact CD-C 3.49Å; Q35-K71 VanDerWaalsContact OE1-CA 3.3Å; Q35-K71 PolarHBondContact OE1-O 2.86Å; E36-K71 HydrophobicContact CB-CG 4.13Å; E36-K71 PolarHBondContact N-O 3.13Å; E36-K71 PolarHBondContact O-N 2.98Å; E36-K71 IonicContact OE2-NZ 2.79Å; E36-K71 PolarHBondContact OE2-NZ 3.31Å; V38-K71 HydrophobicContact CG2-CD 3.83Å; V38-K71 HydrophobicContact CG2-CG 4.15Å; K71-A73 PolarHBondContact O-N 3.46Å; K71-L75 WeakPolarHBondContact CE-O 3.39Å; K71-L75 PolarHBondContact NZ-O 2.74Å; K71-G77 WeakPolarHBondContact CB-O 3.29Å; K71-G77 WeakPolarHBondContact CE-O 3.5Å; K71-A78 HydrophobicContact CB-CB 4.13Å |
| 72 | P | 97.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.5 | 164.8 | -23 | 34.1 | 0 | 0 | 0 | 110.4 | V34 W74 L75 E79 | V34-P72 CarbonylContact O-C 3.6Å; V34-P72 WeakPolarHBondContact O-CA 3.34Å; P72-W74 PolarHBondContact O-N 3.46Å; P72-W74 VanDerWaalsContact O-N 3.08Å; P72-L75 HydrophobicContact CB-CD2 4Å; P72-L75 HydrophobicContact CB-CG 4.02Å; P72-L75 HydrophobicContact CG-CD2 3.76Å; P72-L75 HydrophobicContact CG-CG 4.16Å; P72-L75 PolarHBondContact O-N 3Å; P72-E79 HydrophobicContact CG-CG 3.92Å |
| 73 | A | 97.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 9% | 0.091 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V34 E36 K71 S325 R346 | V34-A73 HydrophobicContact CB-CB 4.09Å; V34-A73 HydrophobicContact CG1-CB 4.35Å; V34-A73 WeakPolarHBondContact O-CB 3.43Å; V34-A73 PolarHBondContact O-N 3.14Å; E36-A73 HydrophobicContact CG-CB 3.91Å; E36-A73 WeakPolarHBondContact OE2-CA 3.31Å; K71-A73 PolarHBondContact O-N 3.46Å; A73-S325 WeakPolarHBondContact CB-OG 3.48Å; A73-R346 HydrophobicContact CB-CB 3.71Å; A73-R346 HydrophobicContact CB-CG 4.29Å; A73-R346 PolarHBondContact O-NH1 3.19Å |
| 74 | W | 96.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 2% | 0.023 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -23.3 | -175.9 | 69.2 | -98.4 | 0 | 0 | 0 | 114.5 | E33 T54 P72 L107 E144 V334 F340 | E33-W74 PolarHBondContact OE1-NE1 2.85Å; T54-W74 HydrophobicContact CG2-CE3 4.48Å; T54-W74 HydrophobicContact CG2-CH2 4.44Å; T54-W74 HydrophobicContact CG2-CZ3 3.74Å; P72-W74 PolarHBondContact O-N 3.46Å; P72-W74 VanDerWaalsContact O-N 3.08Å; W74-L107 HydrophobicContact CH2-CD1 4.17Å; W74-E144 HydrophobicContact CB-CB 4.27Å; W74-E144 HydrophobicContact CB-CG 4.11Å; W74-E144 HydrophobicContact CD2-CB 3.97Å; W74-E144 HydrophobicContact CG-CB 3.73Å; W74-E144 HydrophobicContact CG-CG 4.11Å; W74-V334 HydrophobicContact CE3-CB 4.34Å; W74-V334 HydrophobicContact CE3-CG2 3.78Å; W74-V334 HydrophobicContact CZ3-CG2 3.85Å; W74-F340 AromaticContact CE3-CE1 3.9Å; W74-F340 HydrophobicContact CE3-CE1 3.9Å; W74-F340 AromaticContact CE3-CZ 3.88Å; W74-F340 HydrophobicContact CE3-CZ 3.88Å; W74-F340 HydrophobicContact CH2-CZ 4.28Å; W74-F340 HydrophobicContact CZ3-CE1 4.14Å; W74-F340 AromaticContact CZ3-CZ 3.62Å; W74-F340 HydrophobicContact CZ3-CZ 3.62Å |
| 75 | L | 96.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -101.8 | 164.5 | -175.5 | 65.5 | 79 | 0 | 0 | 0 | 112.1 | T54 K71 P72 G77 M109 | T54-L75 HydrophobicContact CG2-CB 3.91Å; K71-L75 WeakPolarHBondContact CE-O 3.39Å; K71-L75 PolarHBondContact NZ-O 2.74Å; P72-L75 HydrophobicContact CB-CD2 4Å; P72-L75 HydrophobicContact CB-CG 4.02Å; P72-L75 HydrophobicContact CG-CD2 3.76Å; P72-L75 HydrophobicContact CG-CG 4.16Å; P72-L75 PolarHBondContact O-N 3Å; L75-G77 VanDerWaalsContact CD1-N 3.31Å; L75-G77 WeakPolarHBondContact CD1-O 3.41Å; L75-M109 HydrophobicContact CD1-CB 4.09Å; L75-M109 HydrophobicContact CD2-CB 4.19Å; L75-M109 HydrophobicContact CD2-CE 3.93Å; L75-M109 HydrophobicContact CD2-CG 4.16Å |
| 76 | W | 98.1 | Very high | 98.2 | Very high | 42 Ų | 42 | 11.7 Ų | 11.7 | 16% | 0.159 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -86.1 | -37.5 | -179.7 | 170.9 | 86.9 | 0 | 0 | 0 | 113.4 | V51 C53 T54 D110 R113 L114 | V51-W76 HydrophobicContact CG2-CH2 4.41Å; V51-W76 HydrophobicContact CG2-CZ2 3.62Å; C53-W76 HydrophobicContact CB-CD2 4.27Å; C53-W76 HydrophobicContact CB-CE3 3.75Å; C53-W76 HydrophobicContact CB-CZ3 4.08Å; C53-W76 VanDerWaalsContact SG-CZ3 3.55Å; T54-W76 PolarHBondContact OG1-N 2.8Å; W76-D110 HydrophobicContact CE3-CB 4.1Å; W76-D110 HydrophobicContact CZ3-CB 4.03Å; W76-R113 HydrophobicContact CH2-CB 4.37Å; W76-R113 HydrophobicContact CH2-CG 3.92Å; W76-R113 HydrophobicContact CZ2-CG 4.3Å; W76-R113 HydrophobicContact CZ3-CB 4.21Å; W76-R113 HydrophobicContact CZ3-CG 4.22Å; W76-R113 WeakPolarHBondContact O-CD 3.07Å; W76-R113 PolarHBondContact O-NH1 3.23Å; W76-L114 HydrophobicContact CH2-CD1 4.48Å; W76-L114 HydrophobicContact CH2-CD2 3.59Å; W76-L114 HydrophobicContact CH2-CG 3.71Å; W76-L114 HydrophobicContact CZ3-CD1 4.26Å; W76-L114 HydrophobicContact CZ3-CD2 4.18Å; W76-L114 HydrophobicContact CZ3-CG 3.84Å |
| 77 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -68.5 | -157 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K71 L75 M109 D110 | K71-G77 WeakPolarHBondContact CB-O 3.29Å; K71-G77 WeakPolarHBondContact CE-O 3.5Å; L75-G77 VanDerWaalsContact CD1-N 3.31Å; L75-G77 WeakPolarHBondContact CD1-O 3.41Å; G77-M109 CarbonylContact C-O 3.58Å; G77-M109 VanDerWaalsContact CA-O 3.22Å; G77-M109 WeakPolarHBondContact CA-O 3.33Å; G77-D110 PolarHBondContact N-OD1 3.33Å |
| 78 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -146.2 | 153.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L69 K71 M109 V112 | L69-A78 HydrophobicContact CB-CB 3.91Å; L69-A78 HydrophobicContact CD1-CB 4.14Å; L69-A78 HydrophobicContact CD2-CB 3.93Å; L69-A78 HydrophobicContact CG-CB 4.21Å; K71-A78 HydrophobicContact CB-CB 4.13Å; A78-M109 PolarHBondContact N-O 2.84Å; A78-M109 WeakPolarHBondContact O-CA 3.26Å; A78-M109 VanDerWaalsContact O-CB 3.26Å; A78-M109 WeakPolarHBondContact O-CB 3.15Å; A78-V112 HydrophobicContact CB-CG1 4.19Å; A78-V112 VanDerWaalsContact O-CB 3.32Å; A78-V112 WeakPolarHBondContact O-CB 3.44Å | ||
| 79 | E | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -80.2 | -32.6 | 170.4 | -73.9 | -74.4 | 152.2 | 0 | 0 | 110 | K25 S27 R29 S70 P72 N91 M109 | K25-E79 WeakPolarHBondContact CD-O 3.44Å; K25-E79 PolarHBondContact NZ-O 2.74Å; K25-E79 IonicContact NZ-OE2 3.78Å; K25-E79 PolarHBondContact NZ-OE2 3.43Å; S27-E79 WeakPolarHBondContact OG-CG 3.41Å; R29-E79 IonicContact NH1-OE1 2.64Å; S70-E79 PolarHBondContact O-N 3.31Å; P72-E79 HydrophobicContact CG-CG 3.92Å; E79-N91 PolarHBondContact O-N 3.06Å; E79-N91 PolarHBondContact O-OD1 3.44Å; E79-N91 PolarHBondContact OE2-OD1 2.9Å; E79-M109 HydrophobicContact CG-CG 4.41Å; E79-M109 VanDerWaalsContact OE1-CG 3.25Å; E79-M109 WeakPolarHBondContact OE1-CG 3.32Å |
| 80 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162.4 | 177.3 | 46.9 | -160.2 | 165.3 | 0 | 0 | 111.6 | K25 L69 S70 I89 G279 M281 | K25-M80 HydrophobicContact CB-CB 4.47Å; K25-M80 HydrophobicContact CB-SD 3.52Å; K25-M80 VanDerWaalsContact CB-SD 3.52Å; K25-M80 HydrophobicContact CD-CB 3.72Å; K25-M80 HydrophobicContact CD-CG 4.04Å; K25-M80 HydrophobicContact CD-SD 3.6Å; K25-M80 HydrophobicContact CG-SD 3.53Å; K25-M80 VanDerWaalsContact CG-SD 3.53Å; L69-M80 WeakPolarHBondContact CA-O 3.27Å; S70-M80 PolarHBondContact N-O 2.86Å; S70-M80 PolarHBondContact O-N 3.17Å; S70-M80 WeakPolarHBondContact OG-CE 2.94Å; M80-I89 CarbonylContact C-O 3.59Å; M80-I89 WeakPolarHBondContact CA-O 3.45Å; M80-I89 WeakPolarHBondContact CB-O 3.35Å; M80-G279 WeakPolarHBondContact CE-O 3.3Å; M80-M281 HydrophobicContact CB-SD 3.85Å; M80-M281 HydrophobicContact CE-CB 4.15Å; M80-M281 HydrophobicContact CG-CB 4.05Å; M80-M281 HydrophobicContact CG-SD 4.01Å; M80-M281 HydrophobicContact SD-CB 3.34Å; M80-M281 WeakPolarHBondContact SD-CB 3.16Å; M80-M281 HydrophobicContact SD-CG 4.48Å; M80-M281 HydrophobicContact SD-SD 4.43Å |
| 81 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -178.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V68 C88 I89 | V68-G81 CarbonylContact O-C 3.55Å; V68-G81 WeakPolarHBondContact O-CA 3.34Å; G81-C88 WeakPolarHBondContact O-CA 3.36Å; G81-I89 PolarHBondContact N-O 3.39Å; G81-I89 PolarHBondContact O-N 3.11Å |
| 82 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 161.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V67 V68 V87 M281 H295 F313 | V67-A82 WeakPolarHBondContact CA-O 3.43Å; V68-A82 HydrophobicContact CG1-CB 4.29Å; V68-A82 PolarHBondContact N-O 2.94Å; V68-A82 PolarHBondContact O-N 3.49Å; A82-V87 CarbonylContact C-O 3.58Å; A82-V87 WeakPolarHBondContact CA-O 3.36Å; A82-M281 HydrophobicContact CB-CE 3.92Å; A82-H295 WeakPolarHBondContact CB-CE1 3.23Å; A82-H295 VanDerWaalsContact CB-ND1 3.32Å; A82-H295 WeakPolarHBondContact CB-ND1 3.47Å; A82-F313 HydrophobicContact CB-CE2 4.29Å; A82-F313 WeakPolarHBondContact O-CZ 3.19Å |
| 83 | N | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 171.8 | 173 | 76 | 7.5 | 0 | 0 | 0 | 112.8 | A66 V67 H85 Q86 V87 L116 A119 F313 | A66-N83 CarbonylContact O-C 3.54Å; A66-N83 WeakPolarHBondContact O-CA 3.5Å; A66-N83 WeakPolarHBondContact O-CB 3.43Å; V67-N83 HydrophobicContact CG1-CB 3.85Å; N83-H85 PolarHBondContact O-N 3.19Å; N83-H85 VanDerWaalsContact O-N 3.09Å; N83-H85 WeakPolarHBondContact OD1-CA 3.48Å; N83-H85 WeakPolarHBondContact OD1-CB 3.17Å; N83-H85 PolarHBondContact OD1-N 3.37Å; N83-Q86 WeakPolarHBondContact O-CA 3.47Å; N83-Q86 PolarHBondContact O-N 2.92Å; N83-Q86 PolarHBondContact O-NE2 2.9Å; N83-Q86 PolarHBondContact OD1-N 2.94Å; N83-V87 PolarHBondContact N-O 3Å; N83-V87 WeakPolarHBondContact OD1-CB 3.48Å; N83-V87 PolarHBondContact OD1-N 2.89Å; N83-L116 HydrophobicContact CB-CB 4.46Å; N83-L116 HydrophobicContact CB-CD2 4.36Å; N83-L116 WeakPolarHBondContact CB-O 3.37Å; N83-L116 PolarHBondContact ND2-O 3.22Å; N83-A119 PolarHBondContact ND2-O 2.76Å; N83-F313 WeakPolarHBondContact O-CE2 3.49Å |
| 84 | E | 98.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 10.6 Ų | 10.6 | 36% | 0.355 | 5% | 0.049 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.3 | -179.5 | 67.7 | -171.9 | 128.6 | 0 | 0 | 113.9 | A42 Y65 A66 Q86 F313 | A42-E84 WeakPolarHBondContact CB-OE1 3.49Å; Y65-E84 WeakPolarHBondContact CA-OE1 3.2Å; A66-E84 HydrophobicContact CB-CB 4.22Å; A66-E84 HydrophobicContact CB-CG 4.39Å; A66-E84 PolarHBondContact N-OE1 2.94Å; A66-E84 PolarHBondContact O-N 3.02Å; E84-Q86 PolarHBondContact O-N 2.86Å; E84-Q86 PolarHBondContact O-NE2 3.09Å; E84-F313 HydrophobicContact CB-CB 4.47Å; E84-F313 HydrophobicContact CB-CD1 3.93Å; E84-F313 HydrophobicContact CB-CE1 4.35Å; E84-F313 HydrophobicContact CB-CG 4.15Å |
| 85 | H | 98.6 | Very high | 97.3 | Very high | 72 Ų | 72 | 12.7 Ų | 12.7 | 33% | 0.333 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.6 | 173.7 | -64.1 | -69.2 | 0 | 0 | 0 | 114.1 | Y65 N83 V87 D120 | Y65-H85 AromaticContact CD1-CD2 3.55Å; Y65-H85 AromaticContact CD1-NE2 3.16Å; Y65-H85 WeakPolarHBondContact CD1-NE2 3.27Å; Y65-H85 AromaticContact CD2-CD2 3.74Å; Y65-H85 AromaticContact CE1-CD2 3.78Å; Y65-H85 AromaticContact CE1-NE2 3.16Å; Y65-H85 WeakPolarHBondContact CE1-NE2 3.35Å; Y65-H85 AromaticContact CE2-CD2 3.95Å; Y65-H85 AromaticContact CG-CD2 3.53Å; Y65-H85 AromaticContact CG-NE2 3.69Å; Y65-H85 AromaticContact CZ-CD2 3.95Å; Y65-H85 AromaticContact CZ-NE2 3.67Å; N83-H85 PolarHBondContact O-N 3.19Å; N83-H85 VanDerWaalsContact O-N 3.09Å; N83-H85 WeakPolarHBondContact OD1-CA 3.48Å; N83-H85 WeakPolarHBondContact OD1-CB 3.17Å; N83-H85 PolarHBondContact OD1-N 3.37Å; H85-V87 VanDerWaalsContact C-N 3.26Å; H85-V87 HydrophobicContact CB-CG2 4.48Å; H85-V87 PolarHBondContact O-N 2.9Å; H85-D120 HydrophobicContact CB-CB 4.02Å |
| 86 | Q | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 3% | 0.033 | 6% | 0.057 | C | C | . | . | trans | 65.4 | 27.3 | -178.4 | -42.5 | -55.4 | -79.9 | 0 | 0 | 113.7 | N83 E84 R160 V285 H295 | N83-Q86 WeakPolarHBondContact O-CA 3.47Å; N83-Q86 PolarHBondContact O-N 2.92Å; N83-Q86 PolarHBondContact O-NE2 2.9Å; N83-Q86 PolarHBondContact OD1-N 2.94Å; E84-Q86 PolarHBondContact O-N 2.86Å; E84-Q86 PolarHBondContact O-NE2 3.09Å; Q86-R160 HydrophobicContact CB-CG 4.27Å; Q86-R160 VanDerWaalsContact CG-CZ 3.46Å; Q86-V285 HydrophobicContact CB-CG1 3.68Å; Q86-V285 HydrophobicContact CB-CG2 4.14Å; Q86-V285 HydrophobicContact CG-CG1 4.33Å; Q86-H295 PolarHBondContact OE1-NE2 2.95Å | ||
| 87 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -77.4 | 128.4 | 163.6 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | A82 N83 H85 I89 L116 A125 I157 S158 D159 | A82-V87 CarbonylContact C-O 3.58Å; A82-V87 WeakPolarHBondContact CA-O 3.36Å; N83-V87 PolarHBondContact N-O 3Å; N83-V87 WeakPolarHBondContact OD1-CB 3.48Å; N83-V87 PolarHBondContact OD1-N 2.89Å; H85-V87 VanDerWaalsContact C-N 3.26Å; H85-V87 HydrophobicContact CB-CG2 4.48Å; H85-V87 PolarHBondContact O-N 2.9Å; V87-I89 HydrophobicContact CG1-CD1 4.45Å; V87-I89 HydrophobicContact CG1-CG1 4.16Å; V87-L116 HydrophobicContact CB-CD2 4.49Å; V87-L116 HydrophobicContact CG1-CD2 4.36Å; V87-L116 VanDerWaalsContact O-CD2 3.26Å; V87-L116 WeakPolarHBondContact O-CD2 3.32Å; V87-A125 HydrophobicContact CG1-CB 4.33Å; V87-I157 HydrophobicContact CG1-CG2 4.22Å; V87-S158 CarbonylContact C-O 3.57Å; V87-S158 VanDerWaalsContact CA-O 3.29Å; V87-S158 WeakPolarHBondContact CA-O 3.48Å; V87-D159 HydrophobicContact CG2-CB 4.35Å | ||
| 88 | C | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.9 | 172.9 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | F23 G81 I157 S158 S283 | F23-C88 HydrophobicContact CB-CB 4.26Å; F23-C88 HydrophobicContact CD1-CB 4.07Å; F23-C88 HydrophobicContact CD2-CB 4.16Å; F23-C88 HydrophobicContact CE1-CB 4.48Å; F23-C88 HydrophobicContact CG-CB 3.9Å; G81-C88 WeakPolarHBondContact O-CA 3.36Å; C88-I157 CarbonylContact O-C 3.58Å; C88-I157 WeakPolarHBondContact O-CA 3.44Å; C88-S158 PolarHBondContact N-O 3.18Å; C88-S158 PolarHBondContact O-N 2.78Å; C88-S283 VanDerWaalsContact SG-CB 3.6Å |
| 89 | I | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 137.9 | 176.5 | -55.3 | -173.9 | 0 | 0 | 0 | 109.3 | M80 G81 V87 V112 L116 A125 I129 F155 L156 I157 | M80-I89 CarbonylContact C-O 3.59Å; M80-I89 WeakPolarHBondContact CA-O 3.45Å; M80-I89 WeakPolarHBondContact CB-O 3.35Å; G81-I89 PolarHBondContact N-O 3.39Å; G81-I89 PolarHBondContact O-N 3.11Å; V87-I89 HydrophobicContact CG1-CD1 4.45Å; V87-I89 HydrophobicContact CG1-CG1 4.16Å; I89-V112 HydrophobicContact CB-CG1 4.12Å; I89-V112 HydrophobicContact CG2-CB 4.26Å; I89-V112 HydrophobicContact CG2-CG1 3.92Å; I89-V112 HydrophobicContact CG2-CG2 4.02Å; I89-L116 HydrophobicContact CB-CD1 4.48Å; I89-L116 HydrophobicContact CB-CD2 4.17Å; I89-L116 HydrophobicContact CB-CG 4.17Å; I89-L116 HydrophobicContact CD1-CD2 4.05Å; I89-L116 HydrophobicContact CD1-CG 3.94Å; I89-L116 HydrophobicContact CG1-CD2 3.72Å; I89-L116 HydrophobicContact CG1-CG 3.98Å; I89-A125 HydrophobicContact CD1-CB 3.88Å; I89-I129 HydrophobicContact CD1-CD1 4.42Å; I89-F155 HydrophobicContact CG2-CD1 4.39Å; I89-L156 WeakPolarHBondContact CA-O 3.31Å; I89-I157 HydrophobicContact CD1-CG1 4.35Å; I89-I157 HydrophobicContact CD1-CG2 4.34Å; I89-I157 HydrophobicContact CG1-CB 4.44Å; I89-I157 HydrophobicContact CG1-CG1 4.12Å; I89-I157 HydrophobicContact CG1-CG2 4.03Å; I89-I157 HydrophobicContact CG2-CG1 4.11Å |
| 90 | G | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | F155 L156 | G90-F155 CarbonylContact O-C 3.57Å; G90-F155 WeakPolarHBondContact O-CA 3.4Å; G90-L156 PolarHBondContact N-O 2.7Å; G90-L156 PolarHBondContact O-N 2.8Å |
| 91 | N | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 158.5 | 179 | 72.5 | -38.5 | 0 | 0 | 0 | 113.3 | K25 E79 V112 N153 S154 F155 | K25-N91 VanDerWaalsContact CE-O 3.26Å; K25-N91 WeakPolarHBondContact CE-O 3.36Å; K25-N91 PolarHBondContact NZ-O 3.48Å; K25-N91 PolarHBondContact NZ-OD1 2.88Å; E79-N91 PolarHBondContact O-N 3.06Å; E79-N91 PolarHBondContact O-OD1 3.44Å; E79-N91 PolarHBondContact OE2-OD1 2.9Å; N91-V112 HydrophobicContact CB-CG2 3.72Å; N91-N153 PolarHBondContact ND2-ND2 2.95Å; N91-S154 CarbonylContact C-O 3.46Å; N91-S154 WeakPolarHBondContact CA-O 3.46Å; N91-F155 HydrophobicContact CB-CD1 3.61Å; N91-F155 HydrophobicContact CB-CE1 3.77Å; N91-F155 HydrophobicContact CB-CG 4.45Å |
| 92 | E | 93.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.8 | 170.6 | -59.6 | -55.6 | 159.4 | 0 | 0 | 110.8 | C6 D7 T8 N153 S154 I185 | C6-E92 WeakPolarHBondContact CA-OE2 2.9Å; C6-E92 WeakPolarHBondContact CB-OE2 3.4Å; C6-E92 PolarHBondContact N-OE2 2.98Å; C6-E92 PolarHBondContact SG-OE2 3.21Å; D7-E92 WeakPolarHBondContact CA-OE1 3.36Å; D7-E92 PolarHBondContact N-OE1 2.87Å; T8-E92 PolarHBondContact N-OE1 2.71Å; T8-E92 PolarHBondContact OG1-OE1 3.06Å; E92-N153 VanDerWaalsContact O-CA 3.29Å; E92-N153 WeakPolarHBondContact O-CA 3.16Å; E92-N153 PolarHBondContact O-ND2 3.34Å; E92-S154 PolarHBondContact N-O 2.9Å; E92-S154 PolarHBondContact O-N 3.19Å; E92-I185 HydrophobicContact CB-CD1 4.45Å; E92-I185 HydrophobicContact CG-CD1 3.79Å; E92-I185 HydrophobicContact CG-CG1 3.89Å |
| 93 | A | 93.4 | Very high | 94 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W95 Y151 N187 | A93-W95 HydrophobicContact CB-CH2 3.68Å; A93-W95 HydrophobicContact CB-CZ2 4.07Å; A93-W95 HydrophobicContact CB-CZ3 4.17Å; A93-Y151 HydrophobicContact CB-CD1 3.46Å; A93-Y151 VanDerWaalsContact CB-CD1 3.46Å; A93-Y151 HydrophobicContact CB-CD2 3.61Å; A93-Y151 HydrophobicContact CB-CE1 3.7Å; A93-Y151 HydrophobicContact CB-CE2 3.87Å; A93-Y151 HydrophobicContact CB-CG 3.38Å; A93-N187 WeakPolarHBondContact CB-ND2 3.28Å; A93-N187 PolarHBondContact N-ND2 2.96Å; A93-N187 VanDerWaalsContact O-CA 3.22Å; A93-N187 WeakPolarHBondContact O-CA 3.49Å; A93-N187 WeakPolarHBondContact O-CB 3.2Å; A93-N187 VanDerWaalsContact O-CG 3.26Å; A93-N187 PolarHBondContact O-ND2 3.37Å |
| 94 | V | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.1 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | H152 Y189 | V94-H152 HydrophobicContact CG2-CB 4.07Å; V94-H152 WeakPolarHBondContact CG2-O 3.17Å; V94-H152 PolarHBondContact N-O 2.94Å; V94-H152 PolarHBondContact O-N 3.27Å; V94-H152 VanDerWaalsContact O-N 3.08Å; V94-Y189 HydrophobicContact CB-CD1 4.33Å; V94-Y189 HydrophobicContact CB-CE1 4.04Å; V94-Y189 HydrophobicContact CG2-CD1 4.15Å; V94-Y189 HydrophobicContact CG2-CE1 3.51Å |
| 95 | W | 90.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | trans | -122.8 | 135.9 | 176.6 | -63.5 | -84.6 | 0 | 0 | 0 | 109.8 | A93 F149 T150 Y151 N187 R231 | A93-W95 HydrophobicContact CB-CH2 3.68Å; A93-W95 HydrophobicContact CB-CZ2 4.07Å; A93-W95 HydrophobicContact CB-CZ3 4.17Å; W95-F149 HydrophobicContact CH2-CE2 4.4Å; W95-F149 AromaticContact CH2-CZ 3.99Å; W95-F149 HydrophobicContact CH2-CZ 3.99Å; W95-F149 AromaticContact CZ2-CE2 3.72Å; W95-F149 HydrophobicContact CZ2-CE2 3.72Å; W95-F149 AromaticContact CZ2-CZ 3.6Å; W95-F149 HydrophobicContact CZ2-CZ 3.6Å; W95-T150 PolarHBondContact NE1-O 2.9Å; W95-Y151 HydrophobicContact CZ2-CD1 4.08Å; W95-Y151 HydrophobicContact CZ2-CG 4.37Å; W95-N187 HydrophobicContact CZ3-CB 4.27Å; W95-R231 VanDerWaalsContact CE2-NH1 3.29Å | ||
| 96 | G | 90.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | trans | -145.7 | -176.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E98 Y224 F226 | G96-E98 PolarHBondContact O-N 3.46Å; G96-E98 VanDerWaalsContact O-N 3.15Å; G96-Y224 CarbonylContact C-O 3.34Å; G96-Y224 WeakPolarHBondContact CA-O 3.31Å; G96-F226 VanDerWaalsContact C-CZ 3.41Å; G96-F226 WeakPolarHBondContact O-CE2 3.39Å; G96-F226 WeakPolarHBondContact O-CZ 3.3Å | ||
| 97 | R | 92.6 | Very high | 93.7 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -57.4 | -30.2 | -179.1 | -61.3 | -176.2 | -176.6 | -160 | 3.1 | 113.6 | W211 V223 Y224 S225 F226 | R97-W211 HydrophobicContact CB-CD2 4.16Å; R97-W211 HydrophobicContact CB-CE3 4.33Å; R97-W211 HydrophobicContact CB-CH2 3.81Å; R97-W211 HydrophobicContact CB-CZ2 3.6Å; R97-W211 HydrophobicContact CB-CZ3 4.17Å; R97-W211 VanDerWaalsContact NH1-CD1 3.3Å; R97-V223 WeakPolarHBondContact CD-O 3.19Å; R97-V223 PolarHBondContact NE-O 3.03Å; R97-Y224 PolarHBondContact N-O 3.12Å; R97-S225 WeakPolarHBondContact CG-O 3.46Å; R97-S225 PolarHBondContact NE-O 3Å; R97-F226 HydrophobicContact CB-CE1 4.47Å; R97-F226 HydrophobicContact CG-CD1 4.22Å; R97-F226 HydrophobicContact CG-CE1 4.31Å |
| 98 | E | 93.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -77 | 127.7 | 170.8 | -166.4 | 62.1 | -145.2 | 0 | 0 | 109.9 | G96 H152 S169 Y205 W211 | G96-E98 PolarHBondContact O-N 3.46Å; G96-E98 VanDerWaalsContact O-N 3.15Å; E98-H152 PolarHBondContact O-CE1 3.46Å; E98-S169 WeakPolarHBondContact CB-OG 3.28Å; E98-Y205 VanDerWaalsContact CD-OH 3.28Å; E98-Y205 PolarHBondContact OE1-OH 2.97Å; E98-Y205 VanDerWaalsContact OE2-CE1 3.3Å; E98-Y205 WeakPolarHBondContact OE2-CE1 3.4Å; E98-Y205 PolarHBondContact OE2-OH 3.49Å; E98-W211 HydrophobicContact CB-CH2 4.28Å; E98-W211 WeakPolarHBondContact OE2-CH2 3.35Å |
| 99 | S | 91.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 46% | 0.462 | 18% | 0.176 | S | C | . | . | trans | -67.1 | 138.8 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | D101 H152 | S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 WeakPolarHBondContact OG-CB 3.29Å; S99-D101 PolarHBondContact OG-N 3.27Å; S99-D101 VanDerWaalsContact OG-N 3.1Å; S99-D101 PolarHBondContact OG-OD2 3.47Å; S99-H152 PolarHBondContact O-CE1 3.11Å; S99-H152 PolarHBondContact O-NE2 3.09Å | ||
| 100 | A | 89.8 | Confident | 93.6 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | trans | -90 | -3.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T150 Y151 | A100-T150 WeakPolarHBondContact O-CB 3.45Å; A100-Y151 VanDerWaalsContact CB-C 3.47Å; A100-Y151 VanDerWaalsContact CB-CA 3.44Å | ||
| 101 | D | 86.6 | Confident | 93.6 | Very high | 103 Ų | 103 | 31.7 Ų | 31.7 | 55% | 0.551 | 18% | 0.176 | S | C | * | . | trans | -72.6 | 132.1 | 176.1 | -56 | -27.8 | 0 | 0 | 0 | 109.5 | S99 T150 | S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 WeakPolarHBondContact OG-CB 3.29Å; S99-D101 PolarHBondContact OG-N 3.27Å; S99-D101 VanDerWaalsContact OG-N 3.1Å; S99-D101 PolarHBondContact OG-OD2 3.47Å; D101-T150 PolarHBondContact OD1-OG1 3.34Å | ||
| 102 | G | 81.4 | Confident | 93.8 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | trans | 171.6 | -174.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 103 | E | 91.6 | Very high | 94 | Very high | 172 Ų | 172 | 32.6 Ų | 32.6 | 80% | 0.804 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -64.8 | 156.1 | 177.7 | -63.7 | -64.3 | 149.3 | 0 | 0 | 111.9 | A105 | E103-A105 PolarHBondContact O-N 2.82Š|
| 104 | E | 95.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | trans | -55.1 | 124.5 | 170.3 | -74.9 | -179.8 | 151.6 | 0 | 0 | 110.6 | Y55 K337 R339 | Y55-E104 HydrophobicContact CD1-CG 4.36Å; Y55-E104 WeakPolarHBondContact CD1-OE1 3.45Å; Y55-E104 HydrophobicContact CD2-CG 4.31Å; Y55-E104 HydrophobicContact CG-CB 4.27Å; Y55-E104 HydrophobicContact CG-CG 4Å; E104-K337 WeakPolarHBondContact OE2-CE 3.45Å; E104-K337 IonicContact OE2-NZ 2.79Å; E104-K337 PolarHBondContact OE2-NZ 3.3Å; E104-R339 IonicContact OE1-CZ 2.64Å; E104-R339 IonicContact OE1-NE 2.66Å; E104-R339 PolarHBondContact OE1-NE 3.01Å; E104-R339 IonicContact OE1-NH2 3.93Å; E104-R339 IonicContact OE2-NH2 2.71Å | ||
| 105 | A | 97.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | trans | -139.4 | -157.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E103 Y136 G139 | E103-A105 PolarHBondContact O-N 2.82Å; A105-Y136 WeakPolarHBondContact CB-O 3.39Å; A105-G139 CarbonylContact C-O 3.5Å; A105-G139 PolarHBondContact N-O 2.86Å | ||
| 106 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -66.6 | 136 | 169.8 | -65.5 | 176.7 | 0 | 0 | 0 | 109.7 | C53 I56 I58 D110 L111 L114 L132 Y136 Q138 G139 | C53-L106 HydrophobicContact CB-CD2 3.98Å; I56-L106 HydrophobicContact CD1-CD2 3.97Å; I56-L106 HydrophobicContact CD1-CG 3.97Å; I56-L106 HydrophobicContact CG1-CD2 3.91Å; I56-L106 HydrophobicContact CG1-CG 4.41Å; I58-L106 HydrophobicContact CD1-CD2 4.48Å; I58-L106 HydrophobicContact CG2-CD2 3.97Å; L106-D110 HydrophobicContact CB-CB 4.44Å; L106-D110 HydrophobicContact CD2-CB 4.2Å; L106-L111 HydrophobicContact CB-CD2 4.36Å; L106-L111 HydrophobicContact CB-CG 4.36Å; L106-L111 HydrophobicContact CD1-CD2 3.74Å; L106-L114 HydrophobicContact CD1-CD1 4.12Å; L106-L114 HydrophobicContact CD2-CD1 4.13Å; L106-L132 HydrophobicContact CD1-CB 4.05Å; L106-L132 HydrophobicContact CD1-CD2 4.38Å; L106-Y136 HydrophobicContact CD1-CD2 4.23Å; L106-Y136 HydrophobicContact CD1-CG 4.36Å; L106-Q138 CarbonylContact O-C 3.31Å; L106-Q138 WeakPolarHBondContact O-CA 3.16Å; L106-G139 PolarHBondContact O-N 2.95Å; L106-G139 VanDerWaalsContact O-N 3.1Å |
| 107 | L | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -77.7 | 157.1 | 166.2 | -68.6 | -178.5 | 0 | 0 | 0 | 110.5 | T54 Y55 W74 M109 D110 L111 | T54-L107 HydrophobicContact CG2-CD1 3.69Å; Y55-L107 HydrophobicContact CD2-CD1 4.15Å; Y55-L107 HydrophobicContact CD2-CD2 4.15Å; Y55-L107 HydrophobicContact CD2-CG 3.95Å; Y55-L107 HydrophobicContact CE2-CD1 3.62Å; Y55-L107 HydrophobicContact CE2-CD2 3.79Å; Y55-L107 HydrophobicContact CE2-CG 3.79Å; W74-L107 HydrophobicContact CH2-CD1 4.17Å; L107-M109 HydrophobicContact CB-CE 3.68Å; L107-M109 HydrophobicContact CB-SD 4.5Å; L107-M109 HydrophobicContact CD1-CE 3.52Å; L107-M109 HydrophobicContact CD2-CE 4.33Å; L107-M109 HydrophobicContact CG-CE 4.05Å; L107-M109 PolarHBondContact O-N 2.78Å; L107-D110 HydrophobicContact CB-CB 4.48Å; L107-D110 PolarHBondContact N-OD2 2.93Å; L107-D110 WeakPolarHBondContact O-CA 3.41Å; L107-D110 WeakPolarHBondContact O-CB 3.4Å; L107-D110 PolarHBondContact O-N 2.97Å; L107-L111 PolarHBondContact O-N 2.7Å | ||
| 108 | G | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52 | -38.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D110 L111 V112 N153 F155 | G108-D110 VanDerWaalsContact C-N 3.31Å; G108-D110 PolarHBondContact O-N 3.36Å; G108-L111 WeakPolarHBondContact O-CA 3.31Å; G108-L111 WeakPolarHBondContact O-CB 3.23Å; G108-L111 PolarHBondContact O-N 3.28Å; G108-L111 VanDerWaalsContact O-N 3.12Å; G108-V112 WeakPolarHBondContact O-CG2 3.41Å; G108-V112 PolarHBondContact O-N 3.01Å; G108-N153 WeakPolarHBondContact CA-OD1 3.22Å; G108-F155 WeakPolarHBondContact O-CE1 3.35Å |
| 109 | M | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.1 | -33.3 | 177.6 | -59.6 | 71.4 | 70.3 | 0 | 0 | 111.8 | L75 G77 A78 E79 L107 L111 V112 R113 C142 Y151 | L75-M109 HydrophobicContact CD1-CB 4.09Å; L75-M109 HydrophobicContact CD2-CB 4.19Å; L75-M109 HydrophobicContact CD2-CE 3.93Å; L75-M109 HydrophobicContact CD2-CG 4.16Å; G77-M109 CarbonylContact C-O 3.58Å; G77-M109 VanDerWaalsContact CA-O 3.22Å; G77-M109 WeakPolarHBondContact CA-O 3.33Å; A78-M109 PolarHBondContact N-O 2.84Å; A78-M109 WeakPolarHBondContact O-CA 3.26Å; A78-M109 VanDerWaalsContact O-CB 3.26Å; A78-M109 WeakPolarHBondContact O-CB 3.15Å; E79-M109 HydrophobicContact CG-CG 4.41Å; E79-M109 VanDerWaalsContact OE1-CG 3.25Å; E79-M109 WeakPolarHBondContact OE1-CG 3.32Å; L107-M109 HydrophobicContact CB-CE 3.68Å; L107-M109 HydrophobicContact CB-SD 4.5Å; L107-M109 HydrophobicContact CD1-CE 3.52Å; L107-M109 HydrophobicContact CD2-CE 4.33Å; L107-M109 HydrophobicContact CG-CE 4.05Å; L107-M109 PolarHBondContact O-N 2.78Å; M109-L111 VanDerWaalsContact C-N 3.33Å; M109-V112 PolarHBondContact O-N 3.01Å; M109-R113 PolarHBondContact O-N 3.5Å; M109-C142 HydrophobicContact CE-CB 4.08Å; M109-Y151 HydrophobicContact SD-CE2 4.17Å; M109-Y151 PolarHBondContact SD-OH 2.98Å |
| 110 | D | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -41 | 172.1 | -63.1 | -23.5 | 0 | 0 | 0 | 110.1 | C53 T54 W76 G77 L106 L107 G108 V112 R113 L114 | C53-D110 HydrophobicContact CB-CB 4.36Å; T54-D110 WeakPolarHBondContact CB-OD1 2.95Å; T54-D110 WeakPolarHBondContact CB-OD2 3.47Å; T54-D110 PolarHBondContact N-OD1 2.96Å; T54-D110 PolarHBondContact N-OD2 3.3Å; T54-D110 PolarHBondContact OG1-OD1 3.42Å; T54-D110 PolarHBondContact OG1-OD2 3.34Å; W76-D110 HydrophobicContact CE3-CB 4.1Å; W76-D110 HydrophobicContact CZ3-CB 4.03Å; G77-D110 PolarHBondContact N-OD1 3.33Å; L106-D110 HydrophobicContact CB-CB 4.44Å; L106-D110 HydrophobicContact CD2-CB 4.2Å; L107-D110 HydrophobicContact CB-CB 4.48Å; L107-D110 PolarHBondContact N-OD2 2.93Å; L107-D110 WeakPolarHBondContact O-CA 3.41Å; L107-D110 WeakPolarHBondContact O-CB 3.4Å; L107-D110 PolarHBondContact O-N 2.97Å; G108-D110 VanDerWaalsContact C-N 3.31Å; G108-D110 PolarHBondContact O-N 3.36Å; D110-V112 PolarHBondContact O-N 3.08Å; D110-R113 PolarHBondContact O-N 2.73Å; D110-L114 WeakPolarHBondContact O-CB 3.34Å; D110-L114 WeakPolarHBondContact O-CD1 3.49Å; D110-L114 VanDerWaalsContact O-CG 3.23Å; D110-L114 WeakPolarHBondContact O-CG 3.24Å; D110-L114 PolarHBondContact O-N 3.11Å |
| 111 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.5 | -64.6 | 170.5 | 0 | 0 | 0 | 112.6 | L106 L107 G108 M109 G115 I129 L132 F155 | L106-L111 HydrophobicContact CB-CD2 4.36Å; L106-L111 HydrophobicContact CB-CG 4.36Å; L106-L111 HydrophobicContact CD1-CD2 3.74Å; L107-L111 PolarHBondContact O-N 2.7Å; G108-L111 WeakPolarHBondContact O-CA 3.31Å; G108-L111 WeakPolarHBondContact O-CB 3.23Å; G108-L111 PolarHBondContact O-N 3.28Å; G108-L111 VanDerWaalsContact O-N 3.12Å; M109-L111 VanDerWaalsContact C-N 3.33Å; L111-G115 PolarHBondContact O-N 3.02Å; L111-I129 HydrophobicContact CB-CG1 4.4Å; L111-I129 HydrophobicContact CB-CG2 4.17Å; L111-I129 HydrophobicContact CD1-CG2 4.19Å; L111-I129 HydrophobicContact CD2-CG2 4.39Å; L111-I129 HydrophobicContact CG-CG2 4.49Å; L111-L132 HydrophobicContact CD2-CB 3.63Å; L111-L132 HydrophobicContact CD2-CD1 4.15Å; L111-F155 HydrophobicContact CB-CE1 4.18Å; L111-F155 HydrophobicContact CB-CZ 3.99Å; L111-F155 HydrophobicContact CD1-CZ 4.09Å |
| 112 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.5 | -54.2 | 172 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | A78 I89 N91 G108 M109 D110 G115 L116 F155 | A78-V112 HydrophobicContact CB-CG1 4.19Å; A78-V112 VanDerWaalsContact O-CB 3.32Å; A78-V112 WeakPolarHBondContact O-CB 3.44Å; I89-V112 HydrophobicContact CB-CG1 4.12Å; I89-V112 HydrophobicContact CG2-CB 4.26Å; I89-V112 HydrophobicContact CG2-CG1 3.92Å; I89-V112 HydrophobicContact CG2-CG2 4.02Å; N91-V112 HydrophobicContact CB-CG2 3.72Å; G108-V112 WeakPolarHBondContact O-CG2 3.41Å; G108-V112 PolarHBondContact O-N 3.01Å; M109-V112 PolarHBondContact O-N 3.01Å; D110-V112 PolarHBondContact O-N 3.08Å; V112-G115 PolarHBondContact O-N 3.19Å; V112-L116 HydrophobicContact CG1-CD1 4.14Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.06Å; V112-L116 VanDerWaalsContact O-N 3.07Å; V112-F155 HydrophobicContact CG2-CD1 3.98Å; V112-F155 HydrophobicContact CG2-CE1 3.83Å |
| 113 | R | 98.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | -178.5 | 177.5 | 175.3 | 176.5 | 162.3 | 8.1 | 111.6 | L69 W76 M109 D110 G115 L116 E117 | L69-R113 HydrophobicContact CD1-CB 4.38Å; L69-R113 HydrophobicContact CD1-CG 3.84Å; W76-R113 HydrophobicContact CH2-CB 4.37Å; W76-R113 HydrophobicContact CH2-CG 3.92Å; W76-R113 HydrophobicContact CZ2-CG 4.3Å; W76-R113 HydrophobicContact CZ3-CB 4.21Å; W76-R113 HydrophobicContact CZ3-CG 4.22Å; W76-R113 WeakPolarHBondContact O-CD 3.07Å; W76-R113 PolarHBondContact O-NH1 3.23Å; M109-R113 PolarHBondContact O-N 3.5Å; D110-R113 PolarHBondContact O-N 2.73Å; R113-G115 VanDerWaalsContact C-N 3.3Å; R113-G115 PolarHBondContact O-N 3.43Å; R113-L116 PolarHBondContact O-N 3.16Å; R113-E117 HydrophobicContact CG-CG 4.26Å; R113-E117 IonicContact CZ-OE1 3.02Å; R113-E117 VanDerWaalsContact CZ-OE1 3.31Å; R113-E117 IonicContact NE-OE1 2.75Å; R113-E117 PolarHBondContact NE-OE1 3.11Å; R113-E117 IonicContact NE-OE2 3.35Å; R113-E117 IonicContact NH2-OE1 3.03Å; R113-E117 PolarHBondContact NH2-OE1 3.17Å; R113-E117 WeakPolarHBondContact O-CB 3.14Å; R113-E117 WeakPolarHBondContact O-CG 3.39Å; R113-E117 PolarHBondContact O-N 3.23Å |
| 114 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 179.2 | -70.7 | 165.4 | 0 | 0 | 0 | 111.9 | I58 W76 L106 D110 R118 L132 | I58-L114 HydrophobicContact CD1-CD1 3.66Å; I58-L114 HydrophobicContact CD1-CD2 3.87Å; I58-L114 HydrophobicContact CD1-CG 4.45Å; W76-L114 HydrophobicContact CH2-CD1 4.48Å; W76-L114 HydrophobicContact CH2-CD2 3.59Å; W76-L114 HydrophobicContact CH2-CG 3.71Å; W76-L114 HydrophobicContact CZ3-CD1 4.26Å; W76-L114 HydrophobicContact CZ3-CD2 4.18Å; W76-L114 HydrophobicContact CZ3-CG 3.84Å; L106-L114 HydrophobicContact CD1-CD1 4.12Å; L106-L114 HydrophobicContact CD2-CD1 4.13Å; D110-L114 WeakPolarHBondContact O-CB 3.34Å; D110-L114 WeakPolarHBondContact O-CD1 3.49Å; D110-L114 VanDerWaalsContact O-CG 3.23Å; D110-L114 WeakPolarHBondContact O-CG 3.24Å; D110-L114 PolarHBondContact O-N 3.11Å; L114-R118 WeakPolarHBondContact O-CB 3.16Å; L114-R118 WeakPolarHBondContact O-CG 3.16Å; L114-R118 PolarHBondContact O-N 3.49Å; L114-R118 VanDerWaalsContact O-N 3.15Å; L114-L132 HydrophobicContact CB-CD1 3.59Å; L114-L132 HydrophobicContact CD1-CD1 3.85Å; L114-L132 HydrophobicContact CG-CD1 4.26Å |
| 115 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L111 V112 R113 R118 A119 | L111-G115 PolarHBondContact O-N 3.02Å; V112-G115 PolarHBondContact O-N 3.19Å; R113-G115 VanDerWaalsContact C-N 3.3Å; R113-G115 PolarHBondContact O-N 3.43Å; G115-R118 PolarHBondContact O-N 3.13Å; G115-A119 VanDerWaalsContact O-CB 3.3Å; G115-A119 WeakPolarHBondContact O-CB 3.24Å; G115-A119 PolarHBondContact O-N 2.98Å; G115-A119 VanDerWaalsContact O-N 3.09Å |
| 116 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.2 | -71.3 | 169.9 | 0 | 0 | 0 | 112.9 | V67 L69 N83 V87 I89 V112 R113 R118 | V67-L116 HydrophobicContact CG1-CB 3.74Å; L69-L116 HydrophobicContact CD2-CD1 3.58Å; N83-L116 HydrophobicContact CB-CB 4.46Å; N83-L116 HydrophobicContact CB-CD2 4.36Å; N83-L116 WeakPolarHBondContact CB-O 3.37Å; N83-L116 PolarHBondContact ND2-O 3.22Å; V87-L116 HydrophobicContact CB-CD2 4.49Å; V87-L116 HydrophobicContact CG1-CD2 4.36Å; V87-L116 VanDerWaalsContact O-CD2 3.26Å; V87-L116 WeakPolarHBondContact O-CD2 3.32Å; I89-L116 HydrophobicContact CB-CD1 4.48Å; I89-L116 HydrophobicContact CB-CD2 4.17Å; I89-L116 HydrophobicContact CB-CG 4.17Å; I89-L116 HydrophobicContact CD1-CD2 4.05Å; I89-L116 HydrophobicContact CD1-CG 3.94Å; I89-L116 HydrophobicContact CG1-CD2 3.72Å; I89-L116 HydrophobicContact CG1-CG 3.98Å; V112-L116 HydrophobicContact CG1-CD1 4.14Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.06Å; V112-L116 VanDerWaalsContact O-N 3.07Å; R113-L116 PolarHBondContact O-N 3.16Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.17Å |
| 117 | E | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.2 | -21.6 | -179.2 | -77.1 | -179.1 | 168.2 | 0 | 0 | 112.6 | T64 Y65 V67 R113 | T64-E117 CarbonylContact C-O 3.51Å; T64-E117 WeakPolarHBondContact CA-O 3.4Å; T64-E117 HydrophobicContact CG2-CB 4.04Å; Y65-E117 PolarHBondContact N-O 3.09Å; V67-E117 HydrophobicContact CG1-CG 3.89Å; V67-E117 HydrophobicContact CG2-CG 4.11Å; R113-E117 HydrophobicContact CG-CG 4.26Å; R113-E117 IonicContact CZ-OE1 3.02Å; R113-E117 VanDerWaalsContact CZ-OE1 3.31Å; R113-E117 IonicContact NE-OE1 2.75Å; R113-E117 PolarHBondContact NE-OE1 3.11Å; R113-E117 IonicContact NE-OE2 3.35Å; R113-E117 IonicContact NH2-OE1 3.03Å; R113-E117 PolarHBondContact NH2-OE1 3.17Å; R113-E117 WeakPolarHBondContact O-CB 3.14Å; R113-E117 WeakPolarHBondContact O-CG 3.39Å; R113-E117 PolarHBondContact O-N 3.23Å |
| 118 | R | 98.8 | Very high | 98.8 | Very high | 39 Ų | 39 | 20.2 Ų | 20.2 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -119.7 | -1.8 | -168.3 | -56.4 | 177.6 | 175.7 | -163.9 | -5.9 | 115.1 | E59 V61 L114 G115 L116 V128 | E59-R118 PolarHBondContact O-NH2 3.43Å; E59-R118 VanDerWaalsContact O-NH2 3.12Å; V61-R118 HydrophobicContact CG1-CG 4.39Å; V61-R118 HydrophobicContact CG2-CG 3.83Å; L114-R118 WeakPolarHBondContact O-CB 3.16Å; L114-R118 WeakPolarHBondContact O-CG 3.16Å; L114-R118 PolarHBondContact O-N 3.49Å; L114-R118 VanDerWaalsContact O-N 3.15Å; G115-R118 PolarHBondContact O-N 3.13Å; L116-R118 VanDerWaalsContact C-N 3.26Å; L116-R118 PolarHBondContact O-N 3.17Å; R118-V128 HydrophobicContact CB-CG1 4.03Å; R118-V128 HydrophobicContact CB-CG2 4.16Å |
| 119 | A | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -129.6 | 137.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y65 N83 G115 K124 A125 V128 | Y65-A119 VanDerWaalsContact CE2-C 3.48Å; N83-A119 PolarHBondContact ND2-O 2.76Å; G115-A119 VanDerWaalsContact O-CB 3.3Å; G115-A119 WeakPolarHBondContact O-CB 3.24Å; G115-A119 PolarHBondContact O-N 2.98Å; G115-A119 VanDerWaalsContact O-N 3.09Å; A119-K124 HydrophobicContact CB-CB 3.93Å; A119-A125 VanDerWaalsContact CB-CA 3.46Å; A119-A125 HydrophobicContact CB-CB 3.69Å; A119-A125 VanDerWaalsContact CB-N 3.32Å; A119-V128 HydrophobicContact CB-CG2 4.42Å | ||
| 120 | D | 98.7 | Very high | 98.9 | Very high | 48 Ų | 48 | 20.5 Ų | 20.5 | 26% | 0.257 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -101.4 | 2.6 | 177.7 | 57.7 | -38.7 | 0 | 0 | 0 | 113.4 | Y65 H85 K124 | Y65-D120 HydrophobicContact CE2-CB 4.02Å; H85-D120 HydrophobicContact CB-CB 4.02Å; D120-K124 WeakPolarHBondContact OD1-CD 2.84Å; D120-K124 WeakPolarHBondContact OD1-CE 3.46Å; D120-K124 IonicContact OD1-NZ 2.85Å; D120-K124 PolarHBondContact OD1-NZ 3.05Å; D120-K124 IonicContact OD2-NZ 2.73Å; D120-K124 PolarHBondContact OD2-NZ 2.79Å |
| 121 | T | 98.9 | Very high | 98.9 | Very high | 39 Ų | 39 | 23.2 Ų | 23.2 | 24% | 0.239 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -146.3 | 157.3 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 110 | E123 K124 A125 D159 | T121-E123 PolarHBondContact O-N 2.77Å; T121-K124 PolarHBondContact O-N 2.68Å; T121-K124 VanDerWaalsContact OG1-CB 3.28Å; T121-K124 WeakPolarHBondContact OG1-CB 3.31Å; T121-K124 WeakPolarHBondContact OG1-CD 3.45Å; T121-K124 WeakPolarHBondContact OG1-CG 3.41Å; T121-K124 PolarHBondContact OG1-N 2.69Å; T121-A125 PolarHBondContact O-N 2.79Å; T121-D159 WeakPolarHBondContact CA-OD2 3.36Å |
| 122 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 A125 V126 I157 D159 E162 | A122-K124 PolarHBondContact O-N 3.19Å; A122-A125 WeakPolarHBondContact O-CB 3.47Å; A122-A125 PolarHBondContact O-N 2.68Å; A122-A125 VanDerWaalsContact O-N 3.12Å; A122-V126 PolarHBondContact O-N 2.97Å; A122-V126 VanDerWaalsContact O-N 3.13Å; A122-I157 HydrophobicContact CB-CG2 3.7Å; A122-D159 HydrophobicContact CB-CB 3.98Å; A122-D159 PolarHBondContact N-OD2 3.48Å; A122-E162 HydrophobicContact CB-CG 4.43Å |
| 123 | E | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 23.7 Ų | 23.7 | 36% | 0.364 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 177.6 | -175.4 | 179.1 | -166.2 | 0 | 0 | 112.4 | T121 A125 V126 D127 W164 K197 | T121-E123 PolarHBondContact O-N 2.77Å; E123-A125 PolarHBondContact O-N 3.39Å; E123-V126 VanDerWaalsContact O-CB 3.32Å; E123-V126 WeakPolarHBondContact O-CB 3.26Å; E123-V126 PolarHBondContact O-N 2.84Å; E123-V126 VanDerWaalsContact O-N 3.13Å; E123-D127 PolarHBondContact O-N 2.86Å; E123-D127 VanDerWaalsContact O-N 3.12Å; E123-W164 HydrophobicContact CB-CZ2 4.17Å; E123-W164 HydrophobicContact CG-CZ2 3.88Å; E123-K197 WeakPolarHBondContact OE1-CE 3.41Å; E123-K197 IonicContact OE1-NZ 3.81Å; E123-K197 PolarHBondContact OE1-NZ 2.81Å |
| 124 | K | 98.9 | Very high | 98.7 | Very high | 94 Ų | 94 | 29.4 Ų | 29.4 | 41% | 0.409 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.3 | -31.9 | 175.7 | -71.9 | 172.7 | -175.8 | -179.3 | 0 | 112.4 | A119 D120 T121 A122 V126 D127 V128 | A119-K124 HydrophobicContact CB-CB 3.93Å; D120-K124 WeakPolarHBondContact OD1-CD 2.84Å; D120-K124 WeakPolarHBondContact OD1-CE 3.46Å; D120-K124 IonicContact OD1-NZ 2.85Å; D120-K124 PolarHBondContact OD1-NZ 3.05Å; D120-K124 IonicContact OD2-NZ 2.73Å; D120-K124 PolarHBondContact OD2-NZ 2.79Å; T121-K124 PolarHBondContact O-N 2.68Å; T121-K124 VanDerWaalsContact OG1-CB 3.28Å; T121-K124 WeakPolarHBondContact OG1-CB 3.31Å; T121-K124 WeakPolarHBondContact OG1-CD 3.45Å; T121-K124 WeakPolarHBondContact OG1-CG 3.41Å; T121-K124 PolarHBondContact OG1-N 2.69Å; A122-K124 PolarHBondContact O-N 3.19Å; K124-V126 VanDerWaalsContact C-N 3.34Å; K124-D127 PolarHBondContact O-N 2.75Å; K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 VanDerWaalsContact O-CG2 3.31Å; K124-V128 WeakPolarHBondContact O-CG2 3.32Å; K124-V128 PolarHBondContact O-N 2.79Å |
| 125 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V87 I89 A119 T121 A122 E123 D127 V128 I129 I157 | V87-A125 HydrophobicContact CG1-CB 4.33Å; I89-A125 HydrophobicContact CD1-CB 3.88Å; A119-A125 VanDerWaalsContact CB-CA 3.46Å; A119-A125 HydrophobicContact CB-CB 3.69Å; A119-A125 VanDerWaalsContact CB-N 3.32Å; T121-A125 PolarHBondContact O-N 2.79Å; A122-A125 WeakPolarHBondContact O-CB 3.47Å; A122-A125 PolarHBondContact O-N 2.68Å; A122-A125 VanDerWaalsContact O-N 3.12Å; E123-A125 PolarHBondContact O-N 3.39Å; A125-D127 VanDerWaalsContact C-N 3.34Å; A125-D127 PolarHBondContact O-N 2.82Å; A125-V128 PolarHBondContact O-N 3.15Å; A125-I129 WeakPolarHBondContact O-CB 3.42Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.07Å; A125-I157 HydrophobicContact CB-CD1 4.42Å; A125-I157 HydrophobicContact CB-CG2 3.87Å |
| 126 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 170.6 | 175 | 0 | 0 | 0 | 0 | 110.4 | A122 E123 K124 V128 I129 A130 I157 W164 L166 A175 K197 | A122-V126 PolarHBondContact O-N 2.97Å; A122-V126 VanDerWaalsContact O-N 3.13Å; E123-V126 VanDerWaalsContact O-CB 3.32Å; E123-V126 WeakPolarHBondContact O-CB 3.26Å; E123-V126 PolarHBondContact O-N 2.84Å; E123-V126 VanDerWaalsContact O-N 3.13Å; K124-V126 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.37Å; V126-I129 PolarHBondContact O-N 3.23Å; V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 2.72Å; V126-I157 HydrophobicContact CG2-CD1 3.76Å; V126-W164 HydrophobicContact CG2-CB 3.65Å; V126-W164 HydrophobicContact CG2-CD2 4.1Å; V126-W164 HydrophobicContact CG2-CE3 4.3Å; V126-W164 HydrophobicContact CG2-CG 3.85Å; V126-L166 HydrophobicContact CG1-CD1 4.36Å; V126-L166 HydrophobicContact CG1-CD2 4.37Å; V126-A175 HydrophobicContact CG1-CB 3.92Å; V126-K197 HydrophobicContact CG1-CD 4.41Å |
| 127 | D | 98.9 | Very high | 98.4 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | -178.4 | -64.5 | -28.5 | 0 | 0 | 0 | 112.3 | E123 K124 A125 A130 A131 K197 | E123-D127 PolarHBondContact O-N 2.86Å; E123-D127 VanDerWaalsContact O-N 3.12Å; K124-D127 PolarHBondContact O-N 2.75Å; A125-D127 VanDerWaalsContact C-N 3.34Å; A125-D127 PolarHBondContact O-N 2.82Å; D127-A130 PolarHBondContact O-N 2.86Å; D127-A131 WeakPolarHBondContact O-CB 3.24Å; D127-A131 PolarHBondContact O-N 3.09Å; D127-K197 VanDerWaalsContact CG-NZ 3.28Å; D127-K197 IonicContact OD1-NZ 2.82Å; D127-K197 PolarHBondContact OD1-NZ 3.28Å; D127-K197 IonicContact OD2-NZ 3.9Å; D127-K197 PolarHBondContact OD2-NZ 2.88Å; D127-K197 VanDerWaalsContact OD2-NZ 3.1Å |
| 128 | V | 98.9 | Very high | 98.3 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 174.9 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | R118 A119 K124 A125 V126 A131 L132 | R118-V128 HydrophobicContact CB-CG1 4.03Å; R118-V128 HydrophobicContact CB-CG2 4.16Å; A119-V128 HydrophobicContact CB-CG2 4.42Å; K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 VanDerWaalsContact O-CG2 3.31Å; K124-V128 WeakPolarHBondContact O-CG2 3.32Å; K124-V128 PolarHBondContact O-N 2.79Å; A125-V128 PolarHBondContact O-N 3.15Å; V126-V128 PolarHBondContact O-N 3.37Å; V128-A131 PolarHBondContact O-N 3.37Å; V128-L132 HydrophobicContact CG1-CD1 3.73Å; V128-L132 HydrophobicContact CG1-CG 4.5Å; V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 2.81Å |
| 129 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | -179 | -68.5 | 168 | 0 | 0 | 0 | 110.1 | I89 L111 A125 V126 A131 L132 L133 F155 I157 L166 | I89-I129 HydrophobicContact CD1-CD1 4.42Å; L111-I129 HydrophobicContact CB-CG1 4.4Å; L111-I129 HydrophobicContact CB-CG2 4.17Å; L111-I129 HydrophobicContact CD1-CG2 4.19Å; L111-I129 HydrophobicContact CD2-CG2 4.39Å; L111-I129 HydrophobicContact CG-CG2 4.49Å; A125-I129 WeakPolarHBondContact O-CB 3.42Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.07Å; V126-I129 PolarHBondContact O-N 3.23Å; I129-A131 PolarHBondContact O-N 2.89Å; I129-L132 PolarHBondContact O-N 3.01Å; I129-L133 WeakPolarHBondContact O-CB 3.44Å; I129-L133 PolarHBondContact O-N 2.83Å; I129-F155 HydrophobicContact CD1-CD1 4.45Å; I129-F155 HydrophobicContact CG2-CE2 4.22Å; I129-F155 HydrophobicContact CG2-CZ 4.41Å; I129-I157 HydrophobicContact CD1-CD1 3.93Å; I129-L166 HydrophobicContact CB-CD2 3.87Å; I129-L166 HydrophobicContact CD1-CD2 4.41Å; I129-L166 HydrophobicContact CG2-CD2 3.53Å |
| 130 | A | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 D127 L133 E134 W173 | V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 2.72Å; D127-A130 PolarHBondContact O-N 2.86Å; A130-L133 PolarHBondContact O-N 3.12Å; A130-E134 PolarHBondContact O-N 2.87Å; A130-W173 HydrophobicContact CB-CD2 4.22Å; A130-W173 HydrophobicContact CB-CH2 4.21Å; A130-W173 HydrophobicContact CB-CZ2 3.54Å |
| 131 | A | 98.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 38 Ų | 38 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.5 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | D127 V128 I129 K135 | D127-A131 WeakPolarHBondContact O-CB 3.24Å; D127-A131 PolarHBondContact O-N 3.09Å; V128-A131 PolarHBondContact O-N 3.37Å; I129-A131 PolarHBondContact O-N 2.89Å; A131-K135 WeakPolarHBondContact O-CB 3.34Å; A131-K135 PolarHBondContact O-N 2.96Å; A131-K135 VanDerWaalsContact O-N 3.08Å |
| 132 | L | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.2 | -73.8 | 167.7 | 0 | 0 | 0 | 111.6 | I58 L106 L111 L114 V128 I129 K135 Y136 | I58-L132 HydrophobicContact CD1-CD2 3.91Å; L106-L132 HydrophobicContact CD1-CB 4.05Å; L106-L132 HydrophobicContact CD1-CD2 4.38Å; L111-L132 HydrophobicContact CD2-CB 3.63Å; L111-L132 HydrophobicContact CD2-CD1 4.15Å; L114-L132 HydrophobicContact CB-CD1 3.59Å; L114-L132 HydrophobicContact CD1-CD1 3.85Å; L114-L132 HydrophobicContact CG-CD1 4.26Å; V128-L132 HydrophobicContact CG1-CD1 3.73Å; V128-L132 HydrophobicContact CG1-CG 4.5Å; V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 2.81Å; I129-L132 PolarHBondContact O-N 3.01Å; L132-K135 PolarHBondContact O-N 2.94Å; L132-Y136 HydrophobicContact CD2-CD2 3.82Å; L132-Y136 HydrophobicContact CD2-CE2 3.9Å; L132-Y136 WeakPolarHBondContact O-CB 3.31Å; L132-Y136 PolarHBondContact O-N 3.21Å |
| 133 | L | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 176.1 | -179.5 | 64 | 0 | 0 | 0 | 111.6 | I129 A130 G137 Q138 T168 W173 | I129-L133 WeakPolarHBondContact O-CB 3.44Å; I129-L133 PolarHBondContact O-N 2.83Å; A130-L133 PolarHBondContact O-N 3.12Å; L133-G137 WeakPolarHBondContact O-CA 3.5Å; L133-G137 PolarHBondContact O-N 3.42Å; L133-Q138 HydrophobicContact CD1-CB 3.68Å; L133-Q138 HydrophobicContact CD1-CG 3.59Å; L133-T168 HydrophobicContact CD2-CG2 3.8Å; L133-W173 HydrophobicContact CD2-CB 4.44Å |
| 134 | E | 97 | Very high | 96.8 | Very high | 139 Ų | 139 | 34.1 Ų | 34.1 | 65% | 0.65 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63 | -42.7 | 176.7 | -178.5 | 173.3 | -167.1 | 0 | 0 | 112.1 | A130 | A130-E134 PolarHBondContact O-N 2.87Å |
| 135 | K | 97.7 | Very high | 96.3 | Very high | 137 Ų | 137 | 32.8 Ų | 32.8 | 60% | 0.596 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -81.6 | -39.7 | -173.8 | -172.8 | 173.2 | 179.4 | -167 | 0 | 113.8 | A131 L132 | A131-K135 WeakPolarHBondContact O-CB 3.34Å; A131-K135 PolarHBondContact O-N 2.96Å; A131-K135 VanDerWaalsContact O-N 3.08Å; L132-K135 PolarHBondContact O-N 2.94Å |
| 136 | Y | 97.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -118.2 | -9 | -169.5 | -60 | -68.7 | 0 | 0 | 0 | 113.8 | I56 I58 E59 A105 L106 L132 | I56-Y136 HydrophobicContact CD1-CD1 4.47Å; I58-Y136 HydrophobicContact CB-CD1 4.34Å; I58-Y136 HydrophobicContact CB-CD2 4.27Å; I58-Y136 HydrophobicContact CB-CE1 3.94Å; I58-Y136 HydrophobicContact CB-CE2 3.85Å; I58-Y136 HydrophobicContact CB-CG 4.5Å; I58-Y136 HydrophobicContact CD1-CE2 4.43Å; I58-Y136 HydrophobicContact CG2-CD1 3.64Å; I58-Y136 HydrophobicContact CG2-CD2 3.86Å; I58-Y136 HydrophobicContact CG2-CE1 3.74Å; I58-Y136 HydrophobicContact CG2-CE2 3.95Å; I58-Y136 HydrophobicContact CG2-CG 3.7Å; E59-Y136 WeakPolarHBondContact CG-OH 3.4Å; E59-Y136 PolarHBondContact N-OH 2.88Å; A105-Y136 WeakPolarHBondContact CB-O 3.39Å; L106-Y136 HydrophobicContact CD1-CD2 4.23Å; L106-Y136 HydrophobicContact CD1-CG 4.36Å; L132-Y136 HydrophobicContact CD2-CD2 3.82Å; L132-Y136 HydrophobicContact CD2-CE2 3.9Å; L132-Y136 WeakPolarHBondContact O-CB 3.31Å; L132-Y136 PolarHBondContact O-N 3.21Å |
| 137 | G | 96.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 42 Ų | 42 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | trans | 70.6 | -174.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L133 | L133-G137 WeakPolarHBondContact O-CA 3.5Å; L133-G137 PolarHBondContact O-N 3.42Å | ||
| 138 | Q | 96.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 143.3 | 170.3 | 66.2 | 179 | -55 | 0 | 0 | 110.4 | L106 L133 T168 G170 | L106-Q138 CarbonylContact O-C 3.31Å; L106-Q138 WeakPolarHBondContact O-CA 3.16Å; L133-Q138 HydrophobicContact CD1-CB 3.68Å; L133-Q138 HydrophobicContact CD1-CG 3.59Å; Q138-T168 PolarHBondContact NE2-OG1 3.37Å; Q138-T168 PolarHBondContact OE1-OG1 2.59Å; Q138-G170 PolarHBondContact NE2-O 3.26Å |
| 139 | G | 95.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | trans | 158.7 | 167.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A105 L106 | A105-G139 CarbonylContact C-O 3.5Å; A105-G139 PolarHBondContact N-O 2.86Å; L106-G139 PolarHBondContact O-N 2.95Å; L106-G139 VanDerWaalsContact O-N 3.1Å | ||
| 140 | G | 94.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 109.6 | 164.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C142 | G140-C142 PolarHBondContact O-N 2.71Š|
| 141 | S | 93.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | trans | -66.4 | 133.3 | -180 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | Y55 M143 S147 F149 | Y55-S141 VanDerWaalsContact CE2-O 3.29Å; Y55-S141 WeakPolarHBondContact CE2-O 3.4Å; Y55-S141 VanDerWaalsContact CZ-O 3.32Å; Y55-S141 PolarHBondContact OH-O 3.13Å; S141-M143 VanDerWaalsContact C-N 3.35Å; S141-M143 PolarHBondContact OG-O 3.29Å; S141-S147 PolarHBondContact OG-O 2.9Å; S141-F149 PolarHBondContact OG-N 2.65Å | ||
| 142 | C | 93.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | trans | -97.3 | 19.7 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | R29 M109 G140 F149 Y151 | R29-C142 PolarHBondContact NH1-O 3.19Å; R29-C142 PolarHBondContact NH2-O 3.04Å; M109-C142 HydrophobicContact CE-CB 4.08Å; G140-C142 PolarHBondContact O-N 2.71Å; C142-F149 HydrophobicContact CB-CD1 4.19Å; C142-F149 VanDerWaalsContact CB-O 3.28Å; C142-F149 WeakPolarHBondContact CB-O 3.34Å; C142-F149 PolarHBondContact N-O 2.89Å; C142-Y151 HydrophobicContact CB-CD1 3.95Å; C142-Y151 HydrophobicContact CB-CE1 3.2Å; C142-Y151 HydrophobicContact CB-CE2 4.28Å; C142-Y151 VanDerWaalsContact CB-CZ 3.42Å; C142-Y151 WeakPolarHBondContact CB-OH 3.43Å; C142-Y151 VanDerWaalsContact SG-CE1 3.54Å | ||
| 143 | M | 91.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -139.9 | 144.4 | -178.2 | -171.5 | 179.1 | -54.3 | 0 | 0 | 111.2 | P30 S141 D145 F149 F275 F340 | P30-M143 HydrophobicContact CG-CE 3.9Å; P30-M143 HydrophobicContact CG-CG 3.92Å; P30-M143 HydrophobicContact CG-SD 3.86Å; S141-M143 VanDerWaalsContact C-N 3.35Å; S141-M143 PolarHBondContact OG-O 3.29Å; M143-D145 HydrophobicContact CG-CB 4.07Å; M143-D145 PolarHBondContact O-N 2.98Å; M143-D145 HydrophobicContact SD-CB 4.01Å; M143-F149 HydrophobicContact CB-CB 4.07Å; M143-F149 HydrophobicContact CB-CD1 4.36Å; M143-F149 HydrophobicContact CE-CB 3.99Å; M143-F149 HydrophobicContact CE-CD1 3.77Å; M143-F149 HydrophobicContact CE-CE1 4.47Å; M143-F149 HydrophobicContact CE-CG 3.83Å; M143-F275 HydrophobicContact CE-CE1 4.44Å; M143-F275 HydrophobicContact CE-CE2 4.34Å; M143-F275 HydrophobicContact CE-CZ 3.54Å; M143-F340 WeakPolarHBondContact O-CE2 3.31Å |
| 144 | E | 92.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.5 | 64.9 | 171.1 | -165.5 | -179.5 | -157.4 | 0 | 0 | 111.4 | E33 W74 F340 K343 R346 | E33-E144 PolarHBondContact OE1-N 2.97Å; W74-E144 HydrophobicContact CB-CB 4.27Å; W74-E144 HydrophobicContact CB-CG 4.11Å; W74-E144 HydrophobicContact CD2-CB 3.97Å; W74-E144 HydrophobicContact CG-CB 3.73Å; W74-E144 HydrophobicContact CG-CG 4.11Å; E144-F340 HydrophobicContact CB-CD1 4.37Å; E144-F340 HydrophobicContact CB-CE1 4.35Å; E144-F340 HydrophobicContact CG-CD1 3.66Å; E144-F340 HydrophobicContact CG-CE1 3.9Å; E144-K343 HydrophobicContact CG-CG 4.41Å; E144-R346 IonicContact OE1-CZ 3.05Å; E144-R346 IonicContact OE1-NE 3.74Å; E144-R346 PolarHBondContact OE1-NE 2.88Å; E144-R346 IonicContact OE1-NH2 2.79Å; E144-R346 PolarHBondContact OE1-NH2 3.17Å; E144-R346 IonicContact OE2-NE 3.82Å; E144-R346 PolarHBondContact OE2-NE 2.87Å |
| 145 | D | 87.6 | Confident | 92.8 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -151 | 164.7 | 177.5 | -173.2 | 27 | 0 | 0 | 0 | 110.8 | M143 S147 F340 | M143-D145 HydrophobicContact CG-CB 4.07Å; M143-D145 PolarHBondContact O-N 2.98Å; M143-D145 HydrophobicContact SD-CB 4.01Å; D145-S147 PolarHBondContact O-N 3Å; D145-S147 WeakPolarHBondContact OD2-CB 3.43Å; D145-S147 PolarHBondContact OD2-N 2.81Å; D145-S147 PolarHBondContact OD2-OG 3Å; D145-F340 VanDerWaalsContact O-CD2 3.23Å; D145-F340 WeakPolarHBondContact O-CD2 3.5Å |
| 146 | Q | 84.2 | Confident | 92.8 | Very high | 125 Ų | 125 | 31.4 Ų | 31.4 | 58% | 0.584 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -72.8 | -17.8 | 172.6 | -60.8 | -175.5 | 16.6 | 0 | 0 | 112.6 | F340 | Q146-F340 WeakPolarHBondContact CG-O 3.24Š|
| 147 | S | 81.8 | Confident | 92.9 | Very high | 70 Ų | 70 | 29 Ų | 29 | 49% | 0.49 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -69.2 | 129.8 | 174.1 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | S141 D145 F149 | S141-S147 PolarHBondContact OG-O 2.9Å; D145-S147 PolarHBondContact O-N 3Å; D145-S147 WeakPolarHBondContact OD2-CB 3.43Å; D145-S147 PolarHBondContact OD2-N 2.81Å; D145-S147 PolarHBondContact OD2-OG 3Å; S147-F149 PolarHBondContact O-N 2.67Å |
| 148 | E | 81.8 | Confident | 93 | Very high | 166 Ų | 166 | 28 Ų | 28 | 78% | 0.776 | 15% | 0.148 | S | C | * | . | trans | -69.6 | 118.4 | 172.6 | -70.3 | -175.8 | 163.9 | 0 | 0 | 109.9 | ||||
| 149 | F | 89 | Confident | 93.1 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | trans | -128.1 | 89.6 | 174.4 | -174 | -118.5 | 0 | 0 | 0 | 110.4 | P3 W95 S141 C142 M143 S147 Y151 | P3-F149 HydrophobicContact CB-CE1 4.48Å; P3-F149 HydrophobicContact CB-CE2 4.18Å; P3-F149 HydrophobicContact CB-CZ 3.78Å; P3-F149 HydrophobicContact CG-CD2 3.91Å; P3-F149 HydrophobicContact CG-CE1 4.02Å; P3-F149 HydrophobicContact CG-CE2 3Å; P3-F149 HydrophobicContact CG-CZ 3.06Å; W95-F149 HydrophobicContact CH2-CE2 4.4Å; W95-F149 AromaticContact CH2-CZ 3.99Å; W95-F149 HydrophobicContact CH2-CZ 3.99Å; W95-F149 AromaticContact CZ2-CE2 3.72Å; W95-F149 HydrophobicContact CZ2-CE2 3.72Å; W95-F149 AromaticContact CZ2-CZ 3.6Å; W95-F149 HydrophobicContact CZ2-CZ 3.6Å; S141-F149 PolarHBondContact OG-N 2.65Å; C142-F149 HydrophobicContact CB-CD1 4.19Å; C142-F149 VanDerWaalsContact CB-O 3.28Å; C142-F149 WeakPolarHBondContact CB-O 3.34Å; C142-F149 PolarHBondContact N-O 2.89Å; M143-F149 HydrophobicContact CB-CB 4.07Å; M143-F149 HydrophobicContact CB-CD1 4.36Å; M143-F149 HydrophobicContact CE-CB 3.99Å; M143-F149 HydrophobicContact CE-CD1 3.77Å; M143-F149 HydrophobicContact CE-CE1 4.47Å; M143-F149 HydrophobicContact CE-CG 3.83Å; S147-F149 PolarHBondContact O-N 2.67Å; F149-Y151 HydrophobicContact CD1-CD1 4.26Å; F149-Y151 HydrophobicContact CD1-CE1 4.07Å; F149-Y151 AromaticContact CE1-CD1 3.74Å; F149-Y151 HydrophobicContact CE1-CD1 3.74Å; F149-Y151 AromaticContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE1 3.55Å; F149-Y151 AromaticContact CZ-CD1 3.95Å; F149-Y151 HydrophobicContact CZ-CD1 3.95Å; F149-Y151 HydrophobicContact CZ-CE1 4.19Å | ||
| 150 | T | 92.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | trans | -107.2 | 148.1 | -174 | 53 | 0 | 0 | 0 | 0 | 111.3 | W95 A100 D101 | W95-T150 PolarHBondContact NE1-O 2.9Å; A100-T150 WeakPolarHBondContact O-CB 3.45Å; D101-T150 PolarHBondContact OD1-OG1 3.34Å | ||
| 151 | Y | 94 | Very high | 93.4 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | trans | -159.9 | 164.7 | 173.9 | 51.2 | -108.2 | 0 | 0 | 0 | 111.1 | A93 W95 A100 M109 C142 F149 N153 | A93-Y151 HydrophobicContact CB-CD1 3.46Å; A93-Y151 VanDerWaalsContact CB-CD1 3.46Å; A93-Y151 HydrophobicContact CB-CD2 3.61Å; A93-Y151 HydrophobicContact CB-CE1 3.7Å; A93-Y151 HydrophobicContact CB-CE2 3.87Å; A93-Y151 HydrophobicContact CB-CG 3.38Å; W95-Y151 HydrophobicContact CZ2-CD1 4.08Å; W95-Y151 HydrophobicContact CZ2-CG 4.37Å; A100-Y151 VanDerWaalsContact CB-C 3.47Å; A100-Y151 VanDerWaalsContact CB-CA 3.44Å; M109-Y151 HydrophobicContact SD-CE2 4.17Å; M109-Y151 PolarHBondContact SD-OH 2.98Å; C142-Y151 HydrophobicContact CB-CD1 3.95Å; C142-Y151 HydrophobicContact CB-CE1 3.2Å; C142-Y151 HydrophobicContact CB-CE2 4.28Å; C142-Y151 VanDerWaalsContact CB-CZ 3.42Å; C142-Y151 WeakPolarHBondContact CB-OH 3.43Å; C142-Y151 VanDerWaalsContact SG-CE1 3.54Å; F149-Y151 HydrophobicContact CD1-CD1 4.26Å; F149-Y151 HydrophobicContact CD1-CE1 4.07Å; F149-Y151 AromaticContact CE1-CD1 3.74Å; F149-Y151 HydrophobicContact CE1-CD1 3.74Å; F149-Y151 AromaticContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE1 3.55Å; F149-Y151 AromaticContact CZ-CD1 3.95Å; F149-Y151 HydrophobicContact CZ-CD1 3.95Å; F149-Y151 HydrophobicContact CZ-CE1 4.19Å; Y151-N153 WeakPolarHBondContact CE2-ND2 3.32Å | ||
| 152 | H | 95.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 179.2 | 162 | -60.8 | 136.3 | 0 | 0 | 0 | 110.1 | V94 E98 S99 T168 G170 | V94-H152 HydrophobicContact CG2-CB 4.07Å; V94-H152 WeakPolarHBondContact CG2-O 3.17Å; V94-H152 PolarHBondContact N-O 2.94Å; V94-H152 PolarHBondContact O-N 3.27Å; V94-H152 VanDerWaalsContact O-N 3.08Å; E98-H152 PolarHBondContact O-CE1 3.46Å; S99-H152 PolarHBondContact O-CE1 3.11Å; S99-H152 PolarHBondContact O-NE2 3.09Å; H152-T168 WeakPolarHBondContact CB-O 3.44Å; H152-G170 PolarHBondContact CE1-N 3.17Å; H152-G170 PolarHBondContact ND1-N 3.46Å; H152-G170 WeakPolarHBondContact NE2-CA 3.46Å; H152-G170 PolarHBondContact NE2-N 2.9Å |
| 153 | N | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.4 | -174 | -72.9 | 92 | 0 | 0 | 0 | 114.9 | N91 E92 G108 Y151 F155 T168 | N91-N153 PolarHBondContact ND2-ND2 2.95Å; E92-N153 VanDerWaalsContact O-CA 3.29Å; E92-N153 WeakPolarHBondContact O-CA 3.16Å; E92-N153 PolarHBondContact O-ND2 3.34Å; G108-N153 WeakPolarHBondContact CA-OD1 3.22Å; Y151-N153 WeakPolarHBondContact CE2-ND2 3.32Å; N153-F155 HydrophobicContact CB-CD2 4.15Å; N153-F155 HydrophobicContact CB-CE1 4.14Å; N153-F155 HydrophobicContact CB-CE2 3.4Å; N153-F155 VanDerWaalsContact CB-CE2 3.4Å; N153-F155 HydrophobicContact CB-CZ 3.4Å; N153-T168 PolarHBondContact N-OG1 3.23Å; N153-T168 PolarHBondContact O-N 2.88Å; N153-T168 PolarHBondContact O-OG1 2.91Å |
| 154 | S | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.6 | 154.8 | -175.8 | 0 | 0 | 0 | 0 | 108 | N91 E92 L166 E167 | N91-S154 CarbonylContact C-O 3.46Å; N91-S154 WeakPolarHBondContact CA-O 3.46Å; E92-S154 PolarHBondContact N-O 2.9Å; E92-S154 PolarHBondContact O-N 3.19Å; S154-L166 CarbonylContact C-O 3.4Å; S154-L166 WeakPolarHBondContact CA-O 3.32Å; S154-E167 WeakPolarHBondContact OG-CG 3.37Å; S154-E167 PolarHBondContact OG-OE1 3.01Å |
| 155 | F | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.9 | 178.7 | -56.7 | -93.3 | 0 | 0 | 0 | 108.8 | I89 G90 N91 G108 L111 V112 I129 N153 I157 V165 L166 T168 | I89-F155 HydrophobicContact CG2-CD1 4.39Å; G90-F155 CarbonylContact O-C 3.57Å; G90-F155 WeakPolarHBondContact O-CA 3.4Å; N91-F155 HydrophobicContact CB-CD1 3.61Å; N91-F155 HydrophobicContact CB-CE1 3.77Å; N91-F155 HydrophobicContact CB-CG 4.45Å; G108-F155 WeakPolarHBondContact O-CE1 3.35Å; L111-F155 HydrophobicContact CB-CE1 4.18Å; L111-F155 HydrophobicContact CB-CZ 3.99Å; L111-F155 HydrophobicContact CD1-CZ 4.09Å; V112-F155 HydrophobicContact CG2-CD1 3.98Å; V112-F155 HydrophobicContact CG2-CE1 3.83Å; I129-F155 HydrophobicContact CD1-CD1 4.45Å; I129-F155 HydrophobicContact CG2-CE2 4.22Å; I129-F155 HydrophobicContact CG2-CZ 4.41Å; N153-F155 HydrophobicContact CB-CD2 4.15Å; N153-F155 HydrophobicContact CB-CE1 4.14Å; N153-F155 HydrophobicContact CB-CE2 3.4Å; N153-F155 VanDerWaalsContact CB-CE2 3.4Å; N153-F155 HydrophobicContact CB-CZ 3.4Å; F155-I157 HydrophobicContact CB-CD1 4.28Å; F155-I157 HydrophobicContact CB-CG1 4.15Å; F155-V165 CarbonylContact O-C 3.6Å; F155-V165 WeakPolarHBondContact O-CA 3.48Å; F155-L166 HydrophobicContact CB-CB 4.29Å; F155-L166 HydrophobicContact CD2-CB 4.39Å; F155-L166 HydrophobicContact CD2-CD2 4.12Å; F155-L166 HydrophobicContact CD2-CG 4.12Å; F155-L166 PolarHBondContact N-O 3.43Å; F155-L166 PolarHBondContact O-N 2.9Å; F155-T168 HydrophobicContact CE2-CG2 4Å |
| 156 | L | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.9 | 163.9 | -170.2 | 67 | 0 | 0 | 0 | 108 | T8 F9 V10 F23 I89 G90 V165 R183 I185 | T8-L156 HydrophobicContact CG2-CB 3.67Å; T8-L156 HydrophobicContact CG2-CD2 3.74Å; T8-L156 HydrophobicContact CG2-CG 4.27Å; F9-L156 VanDerWaalsContact C-CD2 3.47Å; V10-L156 HydrophobicContact CB-CD2 3.81Å; V10-L156 HydrophobicContact CB-CG 4.47Å; V10-L156 HydrophobicContact CG1-CD1 4.11Å; V10-L156 HydrophobicContact CG1-CD2 3.86Å; V10-L156 HydrophobicContact CG1-CG 4.34Å; F23-L156 HydrophobicContact CE2-CB 4.23Å; F23-L156 HydrophobicContact CE2-CD2 4.12Å; F23-L156 HydrophobicContact CE2-CG 4.1Å; F23-L156 WeakPolarHBondContact CE2-O 3.46Å; I89-L156 WeakPolarHBondContact CA-O 3.31Å; G90-L156 PolarHBondContact N-O 2.7Å; G90-L156 PolarHBondContact O-N 2.8Å; L156-V165 HydrophobicContact CD1-CG2 3.73Å; L156-R183 HydrophobicContact CD1-CG 4.4Å; L156-I185 HydrophobicContact CB-CD1 3.73Å; L156-I185 HydrophobicContact CB-CG1 4.03Å |
| 157 | I | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.2 | -173.2 | -56.8 | 171.8 | 0 | 0 | 0 | 106.4 | V87 C88 I89 A122 A125 V126 I129 F155 A163 W164 | V87-I157 HydrophobicContact CG1-CG2 4.22Å; C88-I157 CarbonylContact O-C 3.58Å; C88-I157 WeakPolarHBondContact O-CA 3.44Å; I89-I157 HydrophobicContact CD1-CG1 4.35Å; I89-I157 HydrophobicContact CD1-CG2 4.34Å; I89-I157 HydrophobicContact CG1-CB 4.44Å; I89-I157 HydrophobicContact CG1-CG1 4.12Å; I89-I157 HydrophobicContact CG1-CG2 4.03Å; I89-I157 HydrophobicContact CG2-CG1 4.11Å; A122-I157 HydrophobicContact CB-CG2 3.7Å; A125-I157 HydrophobicContact CB-CD1 4.42Å; A125-I157 HydrophobicContact CB-CG2 3.87Å; V126-I157 HydrophobicContact CG2-CD1 3.76Å; I129-I157 HydrophobicContact CD1-CD1 3.93Å; F155-I157 HydrophobicContact CB-CD1 4.28Å; F155-I157 HydrophobicContact CB-CG1 4.15Å; I157-A163 CarbonylContact O-C 3.5Å; I157-A163 WeakPolarHBondContact O-CA 3.01Å; I157-A163 WeakPolarHBondContact O-CB 3.37Å; I157-W164 HydrophobicContact CB-CB 4.36Å; I157-W164 PolarHBondContact N-O 3.27Å; I157-W164 PolarHBondContact O-N 2.59Å |
| 158 | S | 98.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.2 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | F23 V87 C88 E162 | F23-S158 WeakPolarHBondContact CD2-OG 3.43Å; V87-S158 CarbonylContact C-O 3.57Å; V87-S158 VanDerWaalsContact CA-O 3.29Å; V87-S158 WeakPolarHBondContact CA-O 3.48Å; C88-S158 PolarHBondContact N-O 3.18Å; C88-S158 PolarHBondContact O-N 2.78Å; S158-E162 WeakPolarHBondContact CA-O 2.87Å |
| 159 | D | 98.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 14.7 Ų | 14.7 | 6% | 0.064 | 7% | 0.065 | C | C | . | . | trans | -137.4 | -157.8 | 169.7 | 68 | 24.8 | 0 | 0 | 0 | 110.5 | I21 V87 T121 A122 K161 E162 | I21-D159 WeakPolarHBondContact CG1-O 3.22Å; V87-D159 HydrophobicContact CG2-CB 4.35Å; T121-D159 WeakPolarHBondContact CA-OD2 3.36Å; A122-D159 HydrophobicContact CB-CB 3.98Å; A122-D159 PolarHBondContact N-OD2 3.48Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 PolarHBondContact OD1-N 3.29Å; D159-E162 PolarHBondContact N-O 2.94Å; D159-E162 PolarHBondContact OD1-N 3.24Å; D159-E162 VanDerWaalsContact OD1-N 3.08Å | ||
| 160 | R | 97.3 | Very high | 97.4 | Very high | 42 Ų | 42 | 14.3 Ų | 14.3 | 16% | 0.158 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -70.3 | -7.2 | -179.4 | -69 | 177.9 | -179 | -89.7 | 14 | 115 | I21 Q86 V285 P286 N288 L291 | I21-R160 VanDerWaalsContact CD1-C 3.43Å; I21-R160 WeakPolarHBondContact CD1-O 3.4Å; Q86-R160 HydrophobicContact CB-CG 4.27Å; Q86-R160 VanDerWaalsContact CG-CZ 3.46Å; R160-V285 HydrophobicContact CB-CG1 4.27Å; R160-V285 HydrophobicContact CG-CG1 3.36Å; R160-P286 PolarHBondContact NH1-O 3.17Å; R160-N288 PolarHBondContact NH1-O 3.19Å; R160-L291 PolarHBondContact NH1-O 2.99Å; R160-L291 PolarHBondContact NH2-O 2.84Å |
| 161 | K | 97.8 | Very high | 97.5 | Very high | 168 Ų | 168 | 18.7 Ų | 18.7 | 73% | 0.73 | 9% | 0.086 | S | C | * | . | S | Bend | trans | -127.8 | -39.2 | -170.4 | -63.6 | 179.2 | -177.6 | 174.5 | 0 | 112.5 | D159 | D159-K161 PolarHBondContact O-N 3Å; D159-K161 PolarHBondContact OD1-N 3.29Å |
| 162 | E | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | trans | -150.7 | 169.7 | -166.9 | 61.7 | -172.9 | -160 | 0 | 0 | 111.6 | A122 S158 D159 W164 R177 | A122-E162 HydrophobicContact CB-CG 4.43Å; S158-E162 WeakPolarHBondContact CA-O 2.87Å; D159-E162 PolarHBondContact N-O 2.94Å; D159-E162 PolarHBondContact OD1-N 3.24Å; D159-E162 VanDerWaalsContact OD1-N 3.08Å; E162-W164 PolarHBondContact OE1-NE1 3.25Å; E162-R177 IonicContact OE2-CZ 2.67Å; E162-R177 IonicContact OE2-NE 3.14Å; E162-R177 PolarHBondContact OE2-NE 3.36Å; E162-R177 IonicContact OE2-NH2 2.7Å; E162-R177 PolarHBondContact OE2-NH2 3.14Å | ||
| 163 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 160 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V10 L12 I157 V178 | V10-A163 HydrophobicContact CB-CB 4.46Å; V10-A163 HydrophobicContact CG1-CB 3.79Å; V10-A163 HydrophobicContact CG2-CB 4.11Å; L12-A163 HydrophobicContact CD1-CB 4.03Å; I157-A163 CarbonylContact O-C 3.5Å; I157-A163 WeakPolarHBondContact O-CA 3.01Å; I157-A163 WeakPolarHBondContact O-CB 3.37Å; A163-V178 HydrophobicContact CB-CB 4.26Å; A163-V178 PolarHBondContact N-O 2.8Å; A163-V178 PolarHBondContact O-N 2.65Å |
| 164 | W | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.7 | 179.3 | -73.2 | 84 | 0 | 0 | 0 | 109.2 | E123 V126 I157 E162 A175 E176 R177 D196 K197 | E123-W164 HydrophobicContact CB-CZ2 4.17Å; E123-W164 HydrophobicContact CG-CZ2 3.88Å; V126-W164 HydrophobicContact CG2-CB 3.65Å; V126-W164 HydrophobicContact CG2-CD2 4.1Å; V126-W164 HydrophobicContact CG2-CE3 4.3Å; V126-W164 HydrophobicContact CG2-CG 3.85Å; I157-W164 HydrophobicContact CB-CB 4.36Å; I157-W164 PolarHBondContact N-O 3.27Å; I157-W164 PolarHBondContact O-N 2.59Å; E162-W164 PolarHBondContact OE1-NE1 3.25Å; W164-A175 HydrophobicContact CE3-CB 4Å; W164-A175 HydrophobicContact CZ3-CB 4.22Å; W164-E176 WeakPolarHBondContact CA-O 3.31Å; W164-R177 HydrophobicContact CD2-CB 4.07Å; W164-R177 HydrophobicContact CD2-CG 4.19Å; W164-R177 HydrophobicContact CE3-CB 3.96Å; W164-R177 HydrophobicContact CH2-CB 3.75Å; W164-R177 HydrophobicContact CH2-CG 4.08Å; W164-R177 HydrophobicContact CZ2-CB 3.84Å; W164-R177 HydrophobicContact CZ2-CG 3.65Å; W164-R177 HydrophobicContact CZ3-CB 3.8Å; W164-D196 HydrophobicContact CH2-CB 4.01Å; W164-D196 HydrophobicContact CZ3-CB 3.76Å; W164-K197 HydrophobicContact CH2-CD 4.19Å; W164-K197 HydrophobicContact CH2-CG 4.19Å; W164-K197 HydrophobicContact CZ3-CD 4.24Å; W164-K197 HydrophobicContact CZ3-CG 4.12Å |
| 165 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127 | 162.4 | -178 | 0 | 0 | 0 | 0 | 107 | F155 L156 E167 A175 E176 R183 I185 I191 | F155-V165 CarbonylContact O-C 3.6Å; F155-V165 WeakPolarHBondContact O-CA 3.48Å; L156-V165 HydrophobicContact CD1-CG2 3.73Å; V165-E167 HydrophobicContact CG1-CG 4.02Å; V165-A175 CarbonylContact O-C 3.42Å; V165-A175 WeakPolarHBondContact O-CA 3.21Å; V165-E176 HydrophobicContact CB-CB 4.48Å; V165-E176 PolarHBondContact N-O 3.31Å; V165-E176 PolarHBondContact O-N 3.13Å; V165-R183 HydrophobicContact CG2-CG 3.85Å; V165-I185 HydrophobicContact CG1-CG2 3.8Å; V165-I185 HydrophobicContact CG2-CG2 3.97Å; V165-I191 HydrophobicContact CB-CD1 4.36Å; V165-I191 HydrophobicContact CB-CG1 4.31Å; V165-I191 HydrophobicContact CG1-CD1 4.01Å; V165-I191 HydrophobicContact CG1-CG1 3.87Å |
| 166 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.2 | 172.9 | 168.2 | 64.9 | 0 | 0 | 0 | 108.8 | V126 I129 S154 F155 T168 W173 A175 | V126-L166 HydrophobicContact CG1-CD1 4.36Å; V126-L166 HydrophobicContact CG1-CD2 4.37Å; I129-L166 HydrophobicContact CB-CD2 3.87Å; I129-L166 HydrophobicContact CD1-CD2 4.41Å; I129-L166 HydrophobicContact CG2-CD2 3.53Å; S154-L166 CarbonylContact C-O 3.4Å; S154-L166 WeakPolarHBondContact CA-O 3.32Å; F155-L166 HydrophobicContact CB-CB 4.29Å; F155-L166 HydrophobicContact CD2-CB 4.39Å; F155-L166 HydrophobicContact CD2-CD2 4.12Å; F155-L166 HydrophobicContact CD2-CG 4.12Å; F155-L166 PolarHBondContact N-O 3.43Å; F155-L166 PolarHBondContact O-N 2.9Å; L166-T168 HydrophobicContact CG-CG2 4.45Å; L166-W173 HydrophobicContact CD1-CB 3.95Å; L166-W173 HydrophobicContact CD1-CD2 4.08Å; L166-W173 HydrophobicContact CD1-CE3 3.61Å; L166-W173 HydrophobicContact CD1-CG 4.25Å; L166-W173 HydrophobicContact CD1-CZ3 4.42Å; L166-A175 HydrophobicContact CB-CB 4.5Å; L166-A175 HydrophobicContact CD1-CB 4.12Å |
| 167 | E | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.7 | 179.9 | -68.7 | -179 | 162 | 0 | 0 | 111.2 | S154 V165 W173 A174 Y189 G190 I191 F220 | S154-E167 WeakPolarHBondContact OG-CG 3.37Å; S154-E167 PolarHBondContact OG-OE1 3.01Å; V165-E167 HydrophobicContact CG1-CG 4.02Å; E167-W173 CarbonylContact O-C 3.48Å; E167-W173 WeakPolarHBondContact O-CA 3.34Å; E167-W173 WeakPolarHBondContact O-CB 3.36Å; E167-A174 PolarHBondContact N-O 3.32Å; E167-A174 PolarHBondContact O-N 3.05Å; E167-Y189 HydrophobicContact CB-CD1 3.93Å; E167-Y189 HydrophobicContact CB-CE1 4.31Å; E167-Y189 HydrophobicContact CG-CD1 4.26Å; E167-Y189 WeakPolarHBondContact OE1-CA 3.39Å; E167-Y189 WeakPolarHBondContact OE2-CA 3.36Å; E167-Y189 WeakPolarHBondContact OE2-CB 3.27Å; E167-G190 VanDerWaalsContact CD-N 3.27Å; E167-G190 PolarHBondContact OE1-N 3.11Å; E167-G190 PolarHBondContact OE2-N 3.17Å; E167-I191 HydrophobicContact CB-CD1 4.01Å; E167-I191 HydrophobicContact CG-CD1 3.92Å; E167-I191 HydrophobicContact CG-CG1 4.11Å; E167-I191 PolarHBondContact OE2-N 2.95Å; E167-F220 HydrophobicContact CB-CD1 4.26Å; E167-F220 HydrophobicContact CB-CE1 3.52Å; E167-F220 HydrophobicContact CB-CZ 4.18Å |
| 168 | T | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.3 | -172.2 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | L133 Q138 H152 N153 F155 L166 Y172 W173 Y189 | L133-T168 HydrophobicContact CD2-CG2 3.8Å; Q138-T168 PolarHBondContact NE2-OG1 3.37Å; Q138-T168 PolarHBondContact OE1-OG1 2.59Å; H152-T168 WeakPolarHBondContact CB-O 3.44Å; N153-T168 PolarHBondContact N-OG1 3.23Å; N153-T168 PolarHBondContact O-N 2.88Å; N153-T168 PolarHBondContact O-OG1 2.91Å; F155-T168 HydrophobicContact CE2-CG2 4Å; L166-T168 HydrophobicContact CG-CG2 4.45Å; T168-Y172 CarbonylContact C-O 3.21Å; T168-Y172 WeakPolarHBondContact CA-O 3.48Å; T168-W173 HydrophobicContact CG2-CB 4.14Å; T168-Y189 WeakPolarHBondContact O-CE1 3.36Å; T168-Y189 PolarHBondContact O-OH 2.73Å; T168-Y189 VanDerWaalsContact O-OH 3.12Å |
| 169 | S | 96.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 96.9 | 176.9 | -158.9 | 0 | 0 | 0 | 0 | 109.1 | E98 K171 Y172 Y189 Y224 | E98-S169 WeakPolarHBondContact CB-OG 3.28Å; S169-K171 PolarHBondContact O-N 3.4Å; S169-Y172 PolarHBondContact N-O 2.78Å; S169-Y172 WeakPolarHBondContact O-CB 3.27Å; S169-Y172 PolarHBondContact O-N 3.19Å; S169-Y189 PolarHBondContact OG-OH 3.46Å; S169-Y224 VanDerWaalsContact OG-CD1 3.3Å; S169-Y224 WeakPolarHBondContact OG-CD1 3.22Å |
| 170 | G | 93.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 17% | 0.165 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -127.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q138 H152 | Q138-G170 PolarHBondContact NE2-O 3.26Å; H152-G170 PolarHBondContact CE1-N 3.17Å; H152-G170 PolarHBondContact ND1-N 3.46Å; H152-G170 WeakPolarHBondContact NE2-CA 3.46Å; H152-G170 PolarHBondContact NE2-N 2.9Å |
| 171 | K | 93.6 | Very high | 97.7 | Very high | 112 Ų | 112 | 36.2 Ų | 36.2 | 49% | 0.487 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.1 | 173.9 | 68.3 | 177.5 | -177.1 | 176.5 | 0 | 114.8 | S169 H199 | S169-K171 PolarHBondContact O-N 3.4Å; K171-H199 PolarHBondContact O-CD2 3.13Å; K171-H199 VanDerWaalsContact O-CD2 3.3Å |
| 172 | Y | 97.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 151.1 | -177.2 | -56.3 | -73.9 | 0 | 0 | 0 | 110.3 | T168 S169 H199 M202 Y205 | T168-Y172 CarbonylContact C-O 3.21Å; T168-Y172 WeakPolarHBondContact CA-O 3.48Å; S169-Y172 PolarHBondContact N-O 2.78Å; S169-Y172 WeakPolarHBondContact O-CB 3.27Å; S169-Y172 PolarHBondContact O-N 3.19Å; Y172-H199 HydrophobicContact CD1-CB 4.49Å; Y172-H199 AromaticContact CD1-CE1 3.82Å; Y172-H199 AromaticContact CD1-CG 3.91Å; Y172-H199 AromaticContact CD1-ND1 3.5Å; Y172-H199 AromaticContact CE1-CE1 3.82Å; Y172-H199 AromaticContact CE1-ND1 3.88Å; Y172-M202 HydrophobicContact CD1-CB 4.14Å; Y172-Y205 AromaticContact CD2-CD1 3.57Å; Y172-Y205 HydrophobicContact CD2-CD1 3.57Å; Y172-Y205 AromaticContact CD2-CE1 3.8Å; Y172-Y205 HydrophobicContact CD2-CE1 3.8Å; Y172-Y205 HydrophobicContact CD2-CG 4.11Å; Y172-Y205 HydrophobicContact CE1-CD1 4.45Å; Y172-Y205 HydrophobicContact CE1-CG 4.07Å; Y172-Y205 AromaticContact CE2-CD1 3.14Å; Y172-Y205 HydrophobicContact CE2-CD1 3.14Å; Y172-Y205 AromaticContact CE2-CD2 3.7Å; Y172-Y205 HydrophobicContact CE2-CD2 3.7Å; Y172-Y205 AromaticContact CE2-CE1 3.35Å; Y172-Y205 HydrophobicContact CE2-CE1 3.35Å; Y172-Y205 AromaticContact CE2-CE2 3.88Å; Y172-Y205 HydrophobicContact CE2-CE2 3.88Å; Y172-Y205 AromaticContact CE2-CG 3.3Å; Y172-Y205 HydrophobicContact CE2-CG 3.3Å; Y172-Y205 AromaticContact CE2-CZ 3.7Å; Y172-Y205 HydrophobicContact CG-CD1 4.38Å; Y172-Y205 VanDerWaalsContact CZ-CB 3.44Å; Y172-Y205 AromaticContact CZ-CD1 3.65Å; Y172-Y205 AromaticContact CZ-CD2 3.58Å; Y172-Y205 AromaticContact CZ-CG 3.26Å; Y172-Y205 WeakPolarHBondContact OH-CB 3.44Å; Y172-Y205 WeakPolarHBondContact OH-CD2 3.49Å; Y172-Y205 VanDerWaalsContact OH-CG 3.24Å |
| 173 | W | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 10% | 0.095 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.2 | -177.5 | 59 | -94.7 | 0 | 0 | 0 | 111.7 | A130 L133 L166 E167 T168 A175 K197 H199 M202 | A130-W173 HydrophobicContact CB-CD2 4.22Å; A130-W173 HydrophobicContact CB-CH2 4.21Å; A130-W173 HydrophobicContact CB-CZ2 3.54Å; L133-W173 HydrophobicContact CD2-CB 4.44Å; L166-W173 HydrophobicContact CD1-CB 3.95Å; L166-W173 HydrophobicContact CD1-CD2 4.08Å; L166-W173 HydrophobicContact CD1-CE3 3.61Å; L166-W173 HydrophobicContact CD1-CG 4.25Å; L166-W173 HydrophobicContact CD1-CZ3 4.42Å; E167-W173 CarbonylContact O-C 3.48Å; E167-W173 WeakPolarHBondContact O-CA 3.34Å; E167-W173 WeakPolarHBondContact O-CB 3.36Å; T168-W173 HydrophobicContact CG2-CB 4.14Å; W173-A175 HydrophobicContact CE3-CB 4.41Å; W173-A175 HydrophobicContact CZ3-CB 4.18Å; W173-K197 HydrophobicContact CH2-CB 3.87Å; W173-K197 HydrophobicContact CZ3-CB 3.63Å; W173-H199 HydrophobicContact CD2-CB 4.27Å; W173-H199 HydrophobicContact CG-CB 4.09Å; W173-H199 AromaticContact NE1-CD2 3.89Å; W173-H199 PolarHBondContact O-N 3.33Å; W173-M202 VanDerWaalsContact O-SD 3.38Å |
| 174 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | E167 I191 I195 K197 M202 F220 | E167-A174 PolarHBondContact N-O 3.32Å; E167-A174 PolarHBondContact O-N 3.05Å; A174-I191 HydrophobicContact CB-CD1 4.25Å; A174-I191 HydrophobicContact CB-CG2 4.22Å; A174-I191 WeakPolarHBondContact O-CD1 3.34Å; A174-I195 HydrophobicContact CB-CD1 4.42Å; A174-I195 HydrophobicContact CB-CG2 4.16Å; A174-K197 CarbonylContact C-O 3.58Å; A174-M202 HydrophobicContact CB-CE 4.36Å; A174-M202 HydrophobicContact CB-SD 4.12Å; A174-F220 HydrophobicContact CB-CB 4.21Å; A174-F220 HydrophobicContact CB-CD1 4.29Å; A174-F220 HydrophobicContact CB-CD2 3.58Å; A174-F220 HydrophobicContact CB-CE2 3.95Å; A174-F220 HydrophobicContact CB-CG 3.76Å; A174-F220 HydrophobicContact CB-CZ 4.46Å |
| 175 | A | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V126 W164 V165 L166 W173 D196 K197 | V126-A175 HydrophobicContact CG1-CB 3.92Å; W164-A175 HydrophobicContact CE3-CB 4Å; W164-A175 HydrophobicContact CZ3-CB 4.22Å; V165-A175 CarbonylContact O-C 3.42Å; V165-A175 WeakPolarHBondContact O-CA 3.21Å; L166-A175 HydrophobicContact CB-CB 4.5Å; L166-A175 HydrophobicContact CD1-CB 4.12Å; W173-A175 HydrophobicContact CE3-CB 4.41Å; W173-A175 HydrophobicContact CZ3-CB 4.18Å; A175-D196 PolarHBondContact O-N 2.79Å; A175-K197 HydrophobicContact CB-CB 4.2Å; A175-K197 PolarHBondContact N-O 2.69Å; A175-K197 PolarHBondContact O-N 2.8Å |
| 176 | E | 98.8 | Very high | 97 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | 179.4 | -175.7 | -165.3 | 160.9 | 0 | 0 | 109.1 | W164 V165 R183 I191 K194 | W164-E176 WeakPolarHBondContact CA-O 3.31Å; V165-E176 HydrophobicContact CB-CB 4.48Å; V165-E176 PolarHBondContact N-O 3.31Å; V165-E176 PolarHBondContact O-N 3.13Å; E176-R183 IonicContact OE2-NE 3.46Å; E176-R183 IonicContact OE2-NH2 3.36Å; E176-R183 PolarHBondContact OE2-NH2 2.82Å; E176-I191 HydrophobicContact CB-CD1 4.24Å; E176-I191 HydrophobicContact CB-CG1 4.05Å; E176-I191 HydrophobicContact CB-CG2 4.4Å; E176-K194 HydrophobicContact CG-CD 4Å; E176-K194 HydrophobicContact CG-CG 4.27Å |
| 177 | R | 98.7 | Very high | 96.6 | Very high | 80 Ų | 80 | 31.5 Ų | 31.5 | 30% | 0.302 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.5 | 176.9 | -169.9 | 177.5 | 177.5 | -155.8 | -14.1 | 111.1 | E162 W164 E179 K194 D196 | E162-R177 IonicContact OE2-CZ 2.67Å; E162-R177 IonicContact OE2-NE 3.14Å; E162-R177 PolarHBondContact OE2-NE 3.36Å; E162-R177 IonicContact OE2-NH2 2.7Å; E162-R177 PolarHBondContact OE2-NH2 3.14Å; W164-R177 HydrophobicContact CD2-CB 4.07Å; W164-R177 HydrophobicContact CD2-CG 4.19Å; W164-R177 HydrophobicContact CE3-CB 3.96Å; W164-R177 HydrophobicContact CH2-CB 3.75Å; W164-R177 HydrophobicContact CH2-CG 4.08Å; W164-R177 HydrophobicContact CZ2-CB 3.84Å; W164-R177 HydrophobicContact CZ2-CG 3.65Å; W164-R177 HydrophobicContact CZ3-CB 3.8Å; R177-E179 HydrophobicContact CG-CG 4.16Å; R177-E179 IonicContact CZ-OE1 3.82Å; R177-E179 IonicContact NE-OE1 2.8Å; R177-E179 IonicContact NH1-OE1 3.43Å; R177-E179 PolarHBondContact NH1-OE1 2.84Å; R177-E179 IonicContact NH2-OE1 2.73Å; R177-E179 PolarHBondContact NH2-OE1 3.14Å; R177-K194 PolarHBondContact O-NZ 2.94Å; R177-D196 HydrophobicContact CB-CB 4.16Å; R177-D196 PolarHBondContact N-OD2 3.25Å |
| 178 | V | 98.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.7 | 177 | -176 | 0 | 0 | 0 | 0 | 108.5 | L12 A163 R183 | L12-V178 HydrophobicContact CD1-CG1 4.25Å; A163-V178 HydrophobicContact CB-CB 4.26Å; A163-V178 PolarHBondContact N-O 2.8Å; A163-V178 PolarHBondContact O-N 2.65Å; V178-R183 HydrophobicContact CG1-CB 4.3Å; V178-R183 HydrophobicContact CG2-CB 4.17Å; V178-R183 HydrophobicContact CG2-CG 4.11Å |
| 179 | E | 96.8 | Very high | 95.9 | Very high | 116 Ų | 116 | 33.7 Ų | 33.7 | 54% | 0.542 | 16% | 0.158 | S | C | . | . | trans | -98.1 | -21.3 | -174.5 | -62.5 | -175.5 | 111.6 | 0 | 0 | 113.2 | R177 | R177-E179 HydrophobicContact CG-CG 4.16Å; R177-E179 IonicContact CZ-OE1 3.82Å; R177-E179 IonicContact NE-OE1 2.8Å; R177-E179 IonicContact NH1-OE1 3.43Å; R177-E179 PolarHBondContact NH1-OE1 2.84Å; R177-E179 IonicContact NH2-OE1 2.73Å; R177-E179 PolarHBondContact NH2-OE1 3.14Å | ||
| 180 | E | 96.8 | Very high | 95.7 | Very high | 138 Ų | 138 | 34.4 Ų | 34.4 | 65% | 0.645 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -154.9 | 169.6 | -178.6 | 61.3 | 175.8 | -158.7 | 0 | 0 | 111.1 | P13 | P13-E180 WeakPolarHBondContact O-CA 3.43Å; P13-E180 VanDerWaalsContact O-CB 3.26Å; P13-E180 WeakPolarHBondContact O-CB 3.29Å |
| 181 | G | 97.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.4 | -138 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 S15 | L12-G181 PolarHBondContact N-O 3.01Å; S15-G181 WeakPolarHBondContact CB-O 3.43Å |
| 182 | Y | 97.5 | Very high | 96 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 21% | 0.208 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.3 | -179.3 | 58.2 | -91.4 | 0 | 0 | 0 | 111.1 | V10 S15 K243 L246 E247 N250 | V10-Y182 CarbonylContact O-C 3.53Å; V10-Y182 VanDerWaalsContact O-CA 3.23Å; V10-Y182 WeakPolarHBondContact O-CA 3.39Å; V10-Y182 WeakPolarHBondContact O-CB 3.44Å; S15-Y182 WeakPolarHBondContact OG-CD1 3.48Å; Y182-K243 HydrophobicContact CE2-CG 4.24Å; Y182-L246 HydrophobicContact CD2-CB 3.6Å; Y182-L246 HydrophobicContact CD2-CD1 3.77Å; Y182-L246 HydrophobicContact CD2-CG 4.33Å; Y182-L246 HydrophobicContact CE2-CB 3.95Å; Y182-L246 HydrophobicContact CG-CB 4.04Å; Y182-L246 HydrophobicContact CG-CD1 4.31Å; Y182-E247 HydrophobicContact CE2-CB 4.48Å; Y182-E247 VanDerWaalsContact OH-CB 3.28Å; Y182-E247 WeakPolarHBondContact OH-CB 3.5Å; Y182-E247 WeakPolarHBondContact OH-CG 3.35Å; Y182-N250 HydrophobicContact CE1-CB 4Å |
| 183 | R | 97 | Very high | 96 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 143.3 | 177.7 | -173.7 | 66.6 | 163.5 | 111.2 | -13.3 | 109.5 | F9 V10 L156 V165 E176 V178 G190 Y239 | F9-R183 CarbonylContact C-O 3.5Å; F9-R183 WeakPolarHBondContact CA-O 3.32Å; V10-R183 HydrophobicContact CG1-CB 3.87Å; V10-R183 PolarHBondContact N-O 3.26Å; V10-R183 PolarHBondContact O-N 3.31Å; L156-R183 HydrophobicContact CD1-CG 4.4Å; V165-R183 HydrophobicContact CG2-CG 3.85Å; E176-R183 IonicContact OE2-NE 3.46Å; E176-R183 IonicContact OE2-NH2 3.36Å; E176-R183 PolarHBondContact OE2-NH2 2.82Å; V178-R183 HydrophobicContact CG1-CB 4.3Å; V178-R183 HydrophobicContact CG2-CB 4.17Å; V178-R183 HydrophobicContact CG2-CG 4.11Å; R183-G190 PolarHBondContact NH2-O 2.79Å; R183-Y239 PolarHBondContact NH1-OH 3.49Å; R183-Y239 VanDerWaalsContact NH1-OH 3.12Å |
| 184 | N | 96.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158 | 166.4 | 67.7 | -51.9 | 0 | 0 | 0 | 110.7 | T8 F9 Y239 L246 | T8-N184 CarbonylContact O-C 3.58Å; T8-N184 WeakPolarHBondContact O-CA 3.16Å; T8-N184 WeakPolarHBondContact O-CB 3.4Å; F9-N184 HydrophobicContact CD1-CB 3.48Å; F9-N184 VanDerWaalsContact CD1-CB 3.48Å; F9-N184 HydrophobicContact CE1-CB 3.81Å; F9-N184 HydrophobicContact CG-CB 4.27Å; N184-Y239 WeakPolarHBondContact ND2-CD2 3.17Å; N184-Y239 PolarHBondContact ND2-O 3.22Å; N184-Y239 WeakPolarHBondContact O-CE2 3.22Å; N184-L246 HydrophobicContact CB-CD1 4.16Å |
| 185 | I | 94.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.8 | 166.9 | 61.8 | 168.5 | 0 | 0 | 0 | 109 | T8 E92 L156 V165 | T8-I185 PolarHBondContact N-O 3.26Å; T8-I185 VanDerWaalsContact N-O 3.14Å; T8-I185 PolarHBondContact O-N 2.71Å; E92-I185 HydrophobicContact CB-CD1 4.45Å; E92-I185 HydrophobicContact CG-CD1 3.79Å; E92-I185 HydrophobicContact CG-CG1 3.89Å; L156-I185 HydrophobicContact CB-CD1 3.73Å; L156-I185 HydrophobicContact CB-CG1 4.03Å; V165-I185 HydrophobicContact CG1-CG2 3.8Å; V165-I185 HydrophobicContact CG2-CG2 3.97Å |
| 186 | S | 91.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | trans | -143.3 | -165.6 | 175.2 | -162.5 | 0 | 0 | 0 | 0 | 107.3 | D7 Q188 | D7-S186 VanDerWaalsContact OD1-CB 3.3Å; D7-S186 WeakPolarHBondContact OD1-CB 3.48Å; D7-S186 PolarHBondContact OD1-OG 2.81Å; S186-Q188 PolarHBondContact O-N 3.29Å | ||
| 187 | N | 90.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -82.4 | 46.8 | -172.3 | -62.3 | 68.8 | 0 | 0 | 0 | 114.6 | S5 C6 A93 W95 A235 | S5-N187 VanDerWaalsContact C-OD1 3.3Å; S5-N187 WeakPolarHBondContact CA-OD1 3.34Å; S5-N187 WeakPolarHBondContact CB-OD1 3.36Å; S5-N187 WeakPolarHBondContact OG-CB 3.43Å; S5-N187 PolarHBondContact OG-OD1 2.97Å; C6-N187 PolarHBondContact N-OD1 3.17Å; C6-N187 PolarHBondContact O-OD1 3.24Å; A93-N187 WeakPolarHBondContact CB-ND2 3.28Å; A93-N187 PolarHBondContact N-ND2 2.96Å; A93-N187 VanDerWaalsContact O-CA 3.22Å; A93-N187 WeakPolarHBondContact O-CA 3.49Å; A93-N187 WeakPolarHBondContact O-CB 3.2Å; A93-N187 VanDerWaalsContact O-CG 3.26Å; A93-N187 PolarHBondContact O-ND2 3.37Å; W95-N187 HydrophobicContact CZ3-CB 4.27Å; N187-A235 HydrophobicContact CB-CB 4.09Å |
| 188 | Q | 89.2 | Confident | 95.9 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -147.5 | 157.6 | 174.1 | 62.6 | 177.6 | 9.3 | 0 | 0 | 110 | S186 G190 A235 | S186-Q188 PolarHBondContact O-N 3.29Å; Q188-G190 PolarHBondContact O-N 2.91Å; Q188-A235 HydrophobicContact CB-CB 4.28Å; Q188-A235 HydrophobicContact CG-CB 4.39Å |
| 189 | Y | 93.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | trans | -68.3 | 131.9 | 170 | -61.6 | -59.5 | 0 | 0 | 0 | 110.8 | V94 E167 T168 S169 F220 A221 | V94-Y189 HydrophobicContact CB-CD1 4.33Å; V94-Y189 HydrophobicContact CB-CE1 4.04Å; V94-Y189 HydrophobicContact CG2-CD1 4.15Å; V94-Y189 HydrophobicContact CG2-CE1 3.51Å; E167-Y189 HydrophobicContact CB-CD1 3.93Å; E167-Y189 HydrophobicContact CB-CE1 4.31Å; E167-Y189 HydrophobicContact CG-CD1 4.26Å; E167-Y189 WeakPolarHBondContact OE1-CA 3.39Å; E167-Y189 WeakPolarHBondContact OE2-CA 3.36Å; E167-Y189 WeakPolarHBondContact OE2-CB 3.27Å; T168-Y189 WeakPolarHBondContact O-CE1 3.36Å; T168-Y189 PolarHBondContact O-OH 2.73Å; T168-Y189 VanDerWaalsContact O-OH 3.12Å; S169-Y189 PolarHBondContact OG-OH 3.46Å; Y189-F220 HydrophobicContact CD1-CD1 4.35Å; Y189-F220 AromaticContact CD1-CE1 3.55Å; Y189-F220 HydrophobicContact CD1-CE1 3.55Å; Y189-F220 HydrophobicContact CD1-CZ 4.39Å; Y189-F220 AromaticContact CE1-CE1 3.85Å; Y189-F220 HydrophobicContact CE1-CE1 3.85Å; Y189-F220 HydrophobicContact CE1-CZ 4.25Å; Y189-F220 HydrophobicContact CG-CE1 4.04Å; Y189-A221 WeakPolarHBondContact O-CB 3.35Å | ||
| 190 | G | 92.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | trans | -123 | -9.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E167 R183 Q188 | E167-G190 VanDerWaalsContact CD-N 3.27Å; E167-G190 PolarHBondContact OE1-N 3.11Å; E167-G190 PolarHBondContact OE2-N 3.17Å; R183-G190 PolarHBondContact NH2-O 2.79Å; Q188-G190 PolarHBondContact O-N 2.91Å | ||
| 191 | I | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -76.3 | 124.3 | 174.1 | -63 | 177 | 0 | 0 | 0 | 108.9 | V165 E167 A174 E176 I195 F220 A221 | V165-I191 HydrophobicContact CB-CD1 4.36Å; V165-I191 HydrophobicContact CB-CG1 4.31Å; V165-I191 HydrophobicContact CG1-CD1 4.01Å; V165-I191 HydrophobicContact CG1-CG1 3.87Å; E167-I191 HydrophobicContact CB-CD1 4.01Å; E167-I191 HydrophobicContact CG-CD1 3.92Å; E167-I191 HydrophobicContact CG-CG1 4.11Å; E167-I191 PolarHBondContact OE2-N 2.95Å; A174-I191 HydrophobicContact CB-CD1 4.25Å; A174-I191 HydrophobicContact CB-CG2 4.22Å; A174-I191 WeakPolarHBondContact O-CD1 3.34Å; E176-I191 HydrophobicContact CB-CD1 4.24Å; E176-I191 HydrophobicContact CB-CG1 4.05Å; E176-I191 HydrophobicContact CB-CG2 4.4Å; I191-I195 HydrophobicContact CG2-CG1 3.85Å; I191-F220 HydrophobicContact CB-CB 4.36Å; I191-F220 HydrophobicContact CB-CD1 4.2Å; I191-F220 HydrophobicContact CG2-CB 4.14Å; I191-F220 WeakPolarHBondContact O-CB 3.29Å; I191-A221 VanDerWaalsContact O-CB 3.22Å; I191-A221 WeakPolarHBondContact O-CB 3.49Å; I191-A221 PolarHBondContact O-N 2.83Å | ||
| 192 | T | 96.4 | Very high | 96 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 39% | 0.387 | 19% | 0.193 | S | C | . | . | trans | -104.4 | -115 | -176 | 58.7 | 0 | 0 | 0 | 0 | 111 | N219 F220 | T192-N219 WeakPolarHBondContact CB-ND2 3.46Å; T192-N219 WeakPolarHBondContact O-CA 3.22Å; T192-F220 PolarHBondContact O-N 2.88Å | ||
| 193 | T | 97.3 | Very high | 96 | Very high | 58 Ų | 58 | 37 Ų | 37 | 36% | 0.356 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -94.3 | -23.1 | -177.7 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | I195 E217 N219 | T193-I195 PolarHBondContact O-N 3.08Å; T193-E217 HydrophobicContact CG2-CG 3.77Å; T193-N219 HydrophobicContact CG2-CB 3.94Å |
| 194 | K | 97.3 | Very high | 96.1 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | trans | -75.1 | 107.1 | 169.7 | -172.6 | -171.6 | 177.7 | -165.2 | 0 | 109.2 | E176 R177 D196 | E176-K194 HydrophobicContact CG-CD 4Å; E176-K194 HydrophobicContact CG-CG 4.27Å; R177-K194 PolarHBondContact O-NZ 2.94Å; K194-D196 WeakPolarHBondContact CE-OD2 3.26Å | ||
| 195 | I | 98.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | trans | -132.4 | 114 | 179.3 | -59.6 | 175.9 | 0 | 0 | 0 | 107.4 | A174 I191 T193 K197 E198 M202 F218 F220 | A174-I195 HydrophobicContact CB-CD1 4.42Å; A174-I195 HydrophobicContact CB-CG2 4.16Å; I191-I195 HydrophobicContact CG2-CG1 3.85Å; T193-I195 PolarHBondContact O-N 3.08Å; I195-K197 VanDerWaalsContact CG2-O 3.27Å; I195-K197 WeakPolarHBondContact CG2-O 3.16Å; I195-E198 HydrophobicContact CG2-CB 3.85Å; I195-E198 HydrophobicContact CG2-CG 4.4Å; I195-M202 HydrophobicContact CD1-CE 4.43Å; I195-F218 HydrophobicContact CD1-CD1 3.82Å; I195-F218 HydrophobicContact CD1-CE1 4.2Å; I195-F220 HydrophobicContact CD1-CB 4.18Å | ||
| 196 | D | 98.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -91.9 | -32.9 | -177.1 | -66.4 | -79.5 | 0 | 0 | 0 | 111.6 | W164 A175 R177 K194 | W164-D196 HydrophobicContact CH2-CB 4.01Å; W164-D196 HydrophobicContact CZ3-CB 3.76Å; A175-D196 PolarHBondContact O-N 2.79Å; R177-D196 HydrophobicContact CB-CB 4.16Å; R177-D196 PolarHBondContact N-OD2 3.25Å; K194-D196 WeakPolarHBondContact CE-OD2 3.26Å |
| 197 | K | 98.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.2 | 170.2 | -62.8 | -177.8 | 173.3 | -176.4 | 0 | 110.3 | E123 V126 D127 W164 W173 A174 A175 I195 | E123-K197 WeakPolarHBondContact OE1-CE 3.41Å; E123-K197 IonicContact OE1-NZ 3.81Å; E123-K197 PolarHBondContact OE1-NZ 2.81Å; V126-K197 HydrophobicContact CG1-CD 4.41Å; D127-K197 VanDerWaalsContact CG-NZ 3.28Å; D127-K197 IonicContact OD1-NZ 2.82Å; D127-K197 PolarHBondContact OD1-NZ 3.28Å; D127-K197 IonicContact OD2-NZ 3.9Å; D127-K197 PolarHBondContact OD2-NZ 2.88Å; D127-K197 VanDerWaalsContact OD2-NZ 3.1Å; W164-K197 HydrophobicContact CH2-CD 4.19Å; W164-K197 HydrophobicContact CH2-CG 4.19Å; W164-K197 HydrophobicContact CZ3-CD 4.24Å; W164-K197 HydrophobicContact CZ3-CG 4.12Å; W173-K197 HydrophobicContact CH2-CB 3.87Å; W173-K197 HydrophobicContact CZ3-CB 3.63Å; A174-K197 CarbonylContact C-O 3.58Å; A175-K197 HydrophobicContact CB-CB 4.2Å; A175-K197 PolarHBondContact N-O 2.69Å; A175-K197 PolarHBondContact O-N 2.8Å; I195-K197 VanDerWaalsContact CG2-O 3.27Å; I195-K197 WeakPolarHBondContact CG2-O 3.16Å |
| 198 | E | 98.6 | Very high | 96.9 | Very high | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 156.5 | 176.6 | 59.1 | 180 | -162.2 | 0 | 0 | 112.5 | I195 M202 R203 | I195-E198 HydrophobicContact CG2-CB 3.85Å; I195-E198 HydrophobicContact CG2-CG 4.4Å; E198-M202 HydrophobicContact CB-CE 3.79Å; E198-M202 HydrophobicContact CG-CE 4.46Å; E198-M202 VanDerWaalsContact OE2-CE 3.22Å; E198-M202 WeakPolarHBondContact OE2-CE 3.47Å; E198-R203 IonicContact OE1-CZ 3.55Å; E198-R203 IonicContact OE1-NE 3.9Å; E198-R203 PolarHBondContact OE1-NE 3.47Å; E198-R203 IonicContact OE1-NH2 2.97Å; E198-R203 IonicContact OE2-CZ 3.66Å; E198-R203 IonicContact OE2-NE 3.74Å; E198-R203 PolarHBondContact OE2-NE 2.86Å; E198-R203 IonicContact OE2-NH2 2.69Å; E198-R203 PolarHBondContact OE2-NH2 2.93Å |
| 199 | H | 98.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | trans | -65 | 128.7 | 168.6 | -178.7 | -68.5 | 0 | 0 | 0 | 110 | K171 Y172 W173 G201 M202 | K171-H199 PolarHBondContact O-CD2 3.13Å; K171-H199 VanDerWaalsContact O-CD2 3.3Å; Y172-H199 HydrophobicContact CD1-CB 4.49Å; Y172-H199 AromaticContact CD1-CE1 3.82Å; Y172-H199 AromaticContact CD1-CG 3.91Å; Y172-H199 AromaticContact CD1-ND1 3.5Å; Y172-H199 AromaticContact CE1-CE1 3.82Å; Y172-H199 AromaticContact CE1-ND1 3.88Å; W173-H199 HydrophobicContact CD2-CB 4.27Å; W173-H199 HydrophobicContact CG-CB 4.09Å; W173-H199 AromaticContact NE1-CD2 3.89Å; W173-H199 PolarHBondContact O-N 3.33Å; H199-G201 VanDerWaalsContact C-N 3.27Å; H199-G201 PolarHBondContact ND1-N 3.13Å; H199-G201 PolarHBondContact O-N 3.32Å; H199-G201 VanDerWaalsContact O-N 3.12Å; H199-M202 HydrophobicContact CB-CB 4.21Å; H199-M202 WeakPolarHBondContact O-CB 3.44Å; H199-M202 PolarHBondContact O-N 3.12Å | ||
| 200 | P | 97.6 | Very high | 97.4 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 75% | 0.753 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.3 | -171 | 22.6 | -34.1 | 0 | 0 | 0 | 114 | ||
| 201 | G | 97.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | H199 R203 Y205 | H199-G201 VanDerWaalsContact C-N 3.27Å; H199-G201 PolarHBondContact ND1-N 3.13Å; H199-G201 PolarHBondContact O-N 3.32Å; H199-G201 VanDerWaalsContact O-N 3.12Å; G201-R203 PolarHBondContact O-N 3.12Å; G201-Y205 WeakPolarHBondContact O-CB 3.49Å; G201-Y205 PolarHBondContact O-N 2.83Å |
| 202 | M | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -52.3 | -169.8 | -179.1 | -177 | 68.8 | 0 | 0 | 112.3 | Y172 W173 A174 I195 E198 H199 V204 Y205 A206 F218 F220 Y224 | Y172-M202 HydrophobicContact CD1-CB 4.14Å; W173-M202 VanDerWaalsContact O-SD 3.38Å; A174-M202 HydrophobicContact CB-CE 4.36Å; A174-M202 HydrophobicContact CB-SD 4.12Å; I195-M202 HydrophobicContact CD1-CE 4.43Å; E198-M202 HydrophobicContact CB-CE 3.79Å; E198-M202 HydrophobicContact CG-CE 4.46Å; E198-M202 VanDerWaalsContact OE2-CE 3.22Å; E198-M202 WeakPolarHBondContact OE2-CE 3.47Å; H199-M202 HydrophobicContact CB-CB 4.21Å; H199-M202 WeakPolarHBondContact O-CB 3.44Å; H199-M202 PolarHBondContact O-N 3.12Å; M202-V204 PolarHBondContact O-N 3.04Å; M202-Y205 WeakPolarHBondContact O-CB 3.26Å; M202-Y205 PolarHBondContact O-N 3.08Å; M202-A206 PolarHBondContact O-N 3.35Å; M202-F218 HydrophobicContact CE-CD1 4.25Å; M202-F218 HydrophobicContact CE-CE1 3.49Å; M202-F218 VanDerWaalsContact CE-CE1 3.49Å; M202-F218 HydrophobicContact CE-CZ 3.94Å; M202-F218 HydrophobicContact SD-CE1 4.4Å; M202-F220 HydrophobicContact CE-CD2 4.24Å; M202-F220 HydrophobicContact SD-CD2 3.44Å; M202-F220 WeakPolarHBondContact SD-CD2 3.48Å; M202-F220 HydrophobicContact SD-CE2 3.51Å; M202-F220 VanDerWaalsContact SD-CE2 3.51Å; M202-Y224 HydrophobicContact CG-CE2 3.57Å; M202-Y224 WeakPolarHBondContact CG-OH 3.04Å; M202-Y224 PolarHBondContact O-OH 3.44Å; M202-Y224 HydrophobicContact SD-CE2 4.03Å |
| 203 | R | 98.2 | Very high | 97.5 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | -176.2 | -61.2 | -172.7 | -173.4 | -149.3 | -3.2 | 112.6 | E198 G201 Y205 A206 Q207 W212 F218 | E198-R203 IonicContact OE1-CZ 3.55Å; E198-R203 IonicContact OE1-NE 3.9Å; E198-R203 PolarHBondContact OE1-NE 3.47Å; E198-R203 IonicContact OE1-NH2 2.97Å; E198-R203 IonicContact OE2-CZ 3.66Å; E198-R203 IonicContact OE2-NE 3.74Å; E198-R203 PolarHBondContact OE2-NE 2.86Å; E198-R203 IonicContact OE2-NH2 2.69Å; E198-R203 PolarHBondContact OE2-NH2 2.93Å; G201-R203 PolarHBondContact O-N 3.12Å; R203-Y205 VanDerWaalsContact C-N 3.29Å; R203-Y205 PolarHBondContact O-N 3.06Å; R203-A206 PolarHBondContact O-N 3.45Å; R203-Q207 WeakPolarHBondContact O-CG 3.4Å; R203-Q207 PolarHBondContact O-N 2.82Å; R203-W212 HydrophobicContact CB-CE3 4.26Å; R203-W212 HydrophobicContact CB-CZ3 3.85Å; R203-W212 HydrophobicContact CG-CZ3 4.41Å; R203-F218 HydrophobicContact CB-CD2 4.49Å; R203-F218 HydrophobicContact CB-CE2 4.34Å; R203-F218 HydrophobicContact CG-CD2 3.93Å; R203-F218 HydrophobicContact CG-CE2 3.93Å; R203-F218 HydrophobicContact CG-CG 4.24Å; R203-F218 HydrophobicContact CG-CZ 4.25Å |
| 204 | V | 98.2 | Very high | 97.4 | Very high | 101 Ų | 101 | 59.5 Ų | 59.5 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | M202 Q207 S208 | M202-V204 PolarHBondContact O-N 3.04Å; V204-Q207 PolarHBondContact O-N 3.42Å; V204-S208 PolarHBondContact O-N 3.23Å |
| 205 | Y | 97.8 | Very high | 97.3 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 175.6 | -179.4 | -107.3 | 0 | 0 | 0 | 111.9 | E98 Y172 G201 M202 R203 Q207 S208 K209 W211 | E98-Y205 VanDerWaalsContact CD-OH 3.28Å; E98-Y205 PolarHBondContact OE1-OH 2.97Å; E98-Y205 VanDerWaalsContact OE2-CE1 3.3Å; E98-Y205 WeakPolarHBondContact OE2-CE1 3.4Å; E98-Y205 PolarHBondContact OE2-OH 3.49Å; Y172-Y205 AromaticContact CD2-CD1 3.57Å; Y172-Y205 HydrophobicContact CD2-CD1 3.57Å; Y172-Y205 AromaticContact CD2-CE1 3.8Å; Y172-Y205 HydrophobicContact CD2-CE1 3.8Å; Y172-Y205 HydrophobicContact CD2-CG 4.11Å; Y172-Y205 HydrophobicContact CE1-CD1 4.45Å; Y172-Y205 HydrophobicContact CE1-CG 4.07Å; Y172-Y205 AromaticContact CE2-CD1 3.14Å; Y172-Y205 HydrophobicContact CE2-CD1 3.14Å; Y172-Y205 AromaticContact CE2-CD2 3.7Å; Y172-Y205 HydrophobicContact CE2-CD2 3.7Å; Y172-Y205 AromaticContact CE2-CE1 3.35Å; Y172-Y205 HydrophobicContact CE2-CE1 3.35Å; Y172-Y205 AromaticContact CE2-CE2 3.88Å; Y172-Y205 HydrophobicContact CE2-CE2 3.88Å; Y172-Y205 AromaticContact CE2-CG 3.3Å; Y172-Y205 HydrophobicContact CE2-CG 3.3Å; Y172-Y205 AromaticContact CE2-CZ 3.7Å; Y172-Y205 HydrophobicContact CG-CD1 4.38Å; Y172-Y205 VanDerWaalsContact CZ-CB 3.44Å; Y172-Y205 AromaticContact CZ-CD1 3.65Å; Y172-Y205 AromaticContact CZ-CD2 3.58Å; Y172-Y205 AromaticContact CZ-CG 3.26Å; Y172-Y205 WeakPolarHBondContact OH-CB 3.44Å; Y172-Y205 WeakPolarHBondContact OH-CD2 3.49Å; Y172-Y205 VanDerWaalsContact OH-CG 3.24Å; G201-Y205 WeakPolarHBondContact O-CB 3.49Å; G201-Y205 PolarHBondContact O-N 2.83Å; M202-Y205 WeakPolarHBondContact O-CB 3.26Å; M202-Y205 PolarHBondContact O-N 3.08Å; R203-Y205 VanDerWaalsContact C-N 3.29Å; R203-Y205 PolarHBondContact O-N 3.06Å; Y205-Q207 VanDerWaalsContact C-N 3.29Å; Y205-Q207 PolarHBondContact O-N 3.16Å; Y205-S208 WeakPolarHBondContact O-CB 3.39Å; Y205-S208 PolarHBondContact O-N 3.46Å; Y205-S208 PolarHBondContact O-OG 3.37Å; Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 4.1Å; Y205-K209 HydrophobicContact CE2-CD 4.46Å; Y205-K209 HydrophobicContact CE2-CG 4.25Å; Y205-K209 WeakPolarHBondContact O-CG 3.31Å; Y205-K209 PolarHBondContact O-N 2.99Å; Y205-K209 WeakPolarHBondContact OH-CE 3.4Å; Y205-K209 PolarHBondContact OH-NZ 2.97Å; Y205-W211 HydrophobicContact CD1-CZ3 4.36Å; Y205-W211 HydrophobicContact CE1-CH2 4.08Å; Y205-W211 AromaticContact CE1-CZ3 3.9Å; Y205-W211 HydrophobicContact CE1-CZ3 3.9Å |
| 206 | A | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M202 R203 K209 G210 W211 W212 F218 V223 Y224 | M202-A206 PolarHBondContact O-N 3.35Å; R203-A206 PolarHBondContact O-N 3.45Å; A206-K209 PolarHBondContact O-N 3.42Å; A206-G210 PolarHBondContact O-N 3.48Å; A206-W211 PolarHBondContact O-N 3.02Å; A206-W212 HydrophobicContact CB-CB 4.27Å; A206-W212 PolarHBondContact O-N 2.79Å; A206-F218 HydrophobicContact CB-CE2 4.23Å; A206-V223 HydrophobicContact CB-CG1 3.59Å; A206-Y224 HydrophobicContact CB-CE2 4.32Å |
| 207 | Q | 97.6 | Very high | 97 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 172.7 | -70.7 | -179.9 | 7.3 | 0 | 0 | 111.9 | R203 V204 Y205 K209 G210 W212 | R203-Q207 WeakPolarHBondContact O-CG 3.4Å; R203-Q207 PolarHBondContact O-N 2.82Å; V204-Q207 PolarHBondContact O-N 3.42Å; Y205-Q207 VanDerWaalsContact C-N 3.29Å; Y205-Q207 PolarHBondContact O-N 3.16Å; Q207-K209 PolarHBondContact O-N 2.91Å; Q207-G210 PolarHBondContact O-N 3.17Å; Q207-W212 HydrophobicContact CG-CD2 4.26Å; Q207-W212 HydrophobicContact CG-CE3 3.46Å; Q207-W212 VanDerWaalsContact CG-CE3 3.46Å; Q207-W212 HydrophobicContact CG-CZ3 3.98Å; Q207-W212 VanDerWaalsContact NE2-CE3 3.34Å |
| 208 | S | 97.7 | Very high | 97 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.6 | -27 | 179.9 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | V204 Y205 | V204-S208 PolarHBondContact O-N 3.23Å; Y205-S208 WeakPolarHBondContact O-CB 3.39Å; Y205-S208 PolarHBondContact O-N 3.46Å; Y205-S208 PolarHBondContact O-OG 3.37Å |
| 209 | K | 96.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.3 | 174.8 | -64.8 | -66 | -168.9 | 168.4 | 0 | 113.8 | Y205 A206 Q207 W211 | Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 4.1Å; Y205-K209 HydrophobicContact CE2-CD 4.46Å; Y205-K209 HydrophobicContact CE2-CG 4.25Å; Y205-K209 WeakPolarHBondContact O-CG 3.31Å; Y205-K209 PolarHBondContact O-N 2.99Å; Y205-K209 WeakPolarHBondContact OH-CE 3.4Å; Y205-K209 PolarHBondContact OH-NZ 2.97Å; A206-K209 PolarHBondContact O-N 3.42Å; Q207-K209 PolarHBondContact O-N 2.91Å; K209-W211 HydrophobicContact CB-CD2 3.61Å; K209-W211 VanDerWaalsContact CB-CE2 3.48Å; K209-W211 HydrophobicContact CB-CE3 4.18Å; K209-W211 HydrophobicContact CB-CG 3.86Å; K209-W211 HydrophobicContact CB-CH2 4.48Å; K209-W211 HydrophobicContact CB-CZ2 3.95Å; K209-W211 HydrophobicContact CD-CZ2 4.36Å; K209-W211 HydrophobicContact CG-CD2 4.31Å; K209-W211 HydrophobicContact CG-CE3 4.48Å; K209-W211 HydrophobicContact CG-CH2 4.18Å; K209-W211 HydrophobicContact CG-CZ2 3.98Å; K209-W211 HydrophobicContact CG-CZ3 4.42Å; K209-W211 VanDerWaalsContact O-CD1 3.32Å; K209-W211 PolarHBondContact O-N 2.85Å |
| 210 | G | 96.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 19.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A206 Q207 | A206-G210 PolarHBondContact O-N 3.48Å; Q207-G210 PolarHBondContact O-N 3.17Å |
| 211 | W | 95.7 | Very high | 96.7 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 20% | 0.197 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -83.4 | -24.4 | 178.7 | -58.5 | -14.4 | 0 | 0 | 0 | 112.8 | R97 E98 Y205 A206 K209 V223 Y224 | R97-W211 HydrophobicContact CB-CD2 4.16Å; R97-W211 HydrophobicContact CB-CE3 4.33Å; R97-W211 HydrophobicContact CB-CH2 3.81Å; R97-W211 HydrophobicContact CB-CZ2 3.6Å; R97-W211 HydrophobicContact CB-CZ3 4.17Å; R97-W211 VanDerWaalsContact NH1-CD1 3.3Å; E98-W211 HydrophobicContact CB-CH2 4.28Å; E98-W211 WeakPolarHBondContact OE2-CH2 3.35Å; Y205-W211 HydrophobicContact CD1-CZ3 4.36Å; Y205-W211 HydrophobicContact CE1-CH2 4.08Å; Y205-W211 AromaticContact CE1-CZ3 3.9Å; Y205-W211 HydrophobicContact CE1-CZ3 3.9Å; A206-W211 PolarHBondContact O-N 3.02Å; K209-W211 HydrophobicContact CB-CD2 3.61Å; K209-W211 VanDerWaalsContact CB-CE2 3.48Å; K209-W211 HydrophobicContact CB-CE3 4.18Å; K209-W211 HydrophobicContact CB-CG 3.86Å; K209-W211 HydrophobicContact CB-CH2 4.48Å; K209-W211 HydrophobicContact CB-CZ2 3.95Å; K209-W211 HydrophobicContact CD-CZ2 4.36Å; K209-W211 HydrophobicContact CG-CD2 4.31Å; K209-W211 HydrophobicContact CG-CE3 4.48Å; K209-W211 HydrophobicContact CG-CH2 4.18Å; K209-W211 HydrophobicContact CG-CZ2 3.98Å; K209-W211 HydrophobicContact CG-CZ3 4.42Å; K209-W211 VanDerWaalsContact O-CD1 3.32Å; K209-W211 PolarHBondContact O-N 2.85Å; W211-V223 HydrophobicContact CB-CG1 4.04Å; W211-Y224 HydrophobicContact CE3-CD1 4.14Å; W211-Y224 HydrophobicContact CE3-CE1 4.07Å; W211-Y224 AromaticContact CZ3-CD1 3.8Å; W211-Y224 HydrophobicContact CZ3-CD1 3.8Å; W211-Y224 AromaticContact CZ3-CE1 3.67Å; W211-Y224 HydrophobicContact CZ3-CE1 3.67Å |
| 212 | W | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 13% | 0.129 | 34% | 0.34 | C | S | . | . | trans | -132 | 139.3 | 175.1 | -178.5 | 51.4 | 0 | 0 | 0 | 109.9 | R203 A206 Q207 G214 S216 F218 V223 | R203-W212 HydrophobicContact CB-CE3 4.26Å; R203-W212 HydrophobicContact CB-CZ3 3.85Å; R203-W212 HydrophobicContact CG-CZ3 4.41Å; A206-W212 HydrophobicContact CB-CB 4.27Å; A206-W212 PolarHBondContact O-N 2.79Å; Q207-W212 HydrophobicContact CG-CD2 4.26Å; Q207-W212 HydrophobicContact CG-CE3 3.46Å; Q207-W212 VanDerWaalsContact CG-CE3 3.46Å; Q207-W212 HydrophobicContact CG-CZ3 3.98Å; Q207-W212 VanDerWaalsContact NE2-CE3 3.34Å; W212-G214 VanDerWaalsContact C-N 3.25Å; W212-G214 PolarHBondContact O-N 3.31Å; W212-S216 VanDerWaalsContact CD1-OG 3.29Å; W212-S216 VanDerWaalsContact CE2-O 3.28Å; W212-S216 WeakPolarHBondContact CZ2-O 3.41Å; W212-S216 PolarHBondContact NE1-O 2.95Å; W212-S216 PolarHBondContact NE1-OG 3.34Å; W212-F218 HydrophobicContact CB-CE2 4.36Å; W212-F218 AromaticContact CD2-CD2 3.49Å; W212-F218 HydrophobicContact CD2-CD2 3.49Å; W212-F218 VanDerWaalsContact CD2-CD2 3.49Å; W212-F218 HydrophobicContact CD2-CE2 4.02Å; W212-F218 AromaticContact CE2-CD2 3.8Å; W212-F218 AromaticContact CE3-CD2 3.55Å; W212-F218 HydrophobicContact CE3-CD2 3.55Å; W212-F218 AromaticContact CE3-CE2 3.91Å; W212-F218 HydrophobicContact CE3-CE2 3.91Å; W212-F218 AromaticContact CG-CD2 3.92Å; W212-F218 HydrophobicContact CG-CD2 3.92Å; W212-F218 HydrophobicContact CG-CE2 4.18Å; W212-F218 HydrophobicContact CH2-CD2 4.31Å; W212-F218 HydrophobicContact CZ2-CB 4.21Å; W212-F218 HydrophobicContact CZ2-CD2 4.22Å; W212-F218 AromaticContact CZ3-CD2 3.97Å; W212-F218 HydrophobicContact CZ3-CD2 3.97Å; W212-V223 HydrophobicContact CB-CG1 4.12Å; W212-V223 HydrophobicContact CB-CG2 4.02Å; W212-V223 HydrophobicContact CG-CG2 4.27Å | ||
| 213 | D | 95.1 | Very high | 96.4 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | trans | -79.5 | -7.9 | -176.8 | 68.7 | -11 | 0 | 0 | 0 | 113.8 | K215 S216 | D213-K215 PolarHBondContact O-N 3.37Å; D213-K215 PolarHBondContact OD1-N 2.85Å; D213-S216 WeakPolarHBondContact OD1-CB 3.34Å; D213-S216 PolarHBondContact OD1-N 3.32Å; D213-S216 PolarHBondContact OD1-OG 3.44Å; D213-S216 PolarHBondContact OD2-N 3.29Å | ||
| 214 | G | 94.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 59 Ų | 59 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 73.6 | 6.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | W212 | W212-G214 VanDerWaalsContact C-N 3.25Å; W212-G214 PolarHBondContact O-N 3.31Å |
| 215 | K | 94.9 | Very high | 95.8 | Very high | 185 Ų | 185 | 55 Ų | 55 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -122.2 | -45 | -175.2 | -62 | 178.9 | -177.8 | 176.7 | 0 | 112.2 | D213 | D213-K215 PolarHBondContact O-N 3.37Å; D213-K215 PolarHBondContact OD1-N 2.85Å |
| 216 | S | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -62.8 | 154.1 | 174.5 | 56.7 | 0 | 0 | 0 | 0 | 111 | W212 D213 F218 | W212-S216 VanDerWaalsContact CD1-OG 3.29Å; W212-S216 VanDerWaalsContact CE2-O 3.28Å; W212-S216 WeakPolarHBondContact CZ2-O 3.41Å; W212-S216 PolarHBondContact NE1-O 2.95Å; W212-S216 PolarHBondContact NE1-OG 3.34Å; D213-S216 WeakPolarHBondContact OD1-CB 3.34Å; D213-S216 PolarHBondContact OD1-N 3.32Å; D213-S216 PolarHBondContact OD1-OG 3.44Å; D213-S216 PolarHBondContact OD2-N 3.29Å; S216-F218 PolarHBondContact O-N 3.04Å |
| 217 | E | 96.4 | Very high | 93.1 | Very high | 150 Ų | 150 | 64.7 Ų | 64.7 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 131.7 | 173.8 | -173.2 | 177.1 | -154.9 | 0 | 0 | 110 | T193 N219 | T193-E217 HydrophobicContact CG2-CG 3.77Å; E217-N219 PolarHBondContact O-N 3.47Å |
| 218 | F | 97.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 118.7 | -176.9 | -168.2 | -87.6 | 0 | 0 | 0 | 110.1 | I195 M202 R203 A206 W212 S216 F220 V223 Y224 | I195-F218 HydrophobicContact CD1-CD1 3.82Å; I195-F218 HydrophobicContact CD1-CE1 4.2Å; M202-F218 HydrophobicContact CE-CD1 4.25Å; M202-F218 HydrophobicContact CE-CE1 3.49Å; M202-F218 VanDerWaalsContact CE-CE1 3.49Å; M202-F218 HydrophobicContact CE-CZ 3.94Å; M202-F218 HydrophobicContact SD-CE1 4.4Å; R203-F218 HydrophobicContact CB-CD2 4.49Å; R203-F218 HydrophobicContact CB-CE2 4.34Å; R203-F218 HydrophobicContact CG-CD2 3.93Å; R203-F218 HydrophobicContact CG-CE2 3.93Å; R203-F218 HydrophobicContact CG-CG 4.24Å; R203-F218 HydrophobicContact CG-CZ 4.25Å; A206-F218 HydrophobicContact CB-CE2 4.23Å; W212-F218 HydrophobicContact CB-CE2 4.36Å; W212-F218 AromaticContact CD2-CD2 3.49Å; W212-F218 HydrophobicContact CD2-CD2 3.49Å; W212-F218 VanDerWaalsContact CD2-CD2 3.49Å; W212-F218 HydrophobicContact CD2-CE2 4.02Å; W212-F218 AromaticContact CE2-CD2 3.8Å; W212-F218 AromaticContact CE3-CD2 3.55Å; W212-F218 HydrophobicContact CE3-CD2 3.55Å; W212-F218 AromaticContact CE3-CE2 3.91Å; W212-F218 HydrophobicContact CE3-CE2 3.91Å; W212-F218 AromaticContact CG-CD2 3.92Å; W212-F218 HydrophobicContact CG-CD2 3.92Å; W212-F218 HydrophobicContact CG-CE2 4.18Å; W212-F218 HydrophobicContact CH2-CD2 4.31Å; W212-F218 HydrophobicContact CZ2-CB 4.21Å; W212-F218 HydrophobicContact CZ2-CD2 4.22Å; W212-F218 AromaticContact CZ3-CD2 3.97Å; W212-F218 HydrophobicContact CZ3-CD2 3.97Å; S216-F218 PolarHBondContact O-N 3.04Å; F218-F220 HydrophobicContact CE1-CB 4.22Å; F218-F220 HydrophobicContact CE1-CD2 4.42Å; F218-V223 HydrophobicContact CD2-CG2 4.37Å; F218-V223 HydrophobicContact CE2-CB 4.3Å; F218-V223 HydrophobicContact CE2-CG1 3.95Å; F218-V223 HydrophobicContact CE2-CG2 4.04Å; F218-V223 HydrophobicContact CZ-CB 4.15Å; F218-V223 HydrophobicContact CZ-CG1 3.96Å; F218-V223 HydrophobicContact CZ-CG2 4.28Å; F218-Y224 HydrophobicContact CZ-CD2 4.4Å; F218-Y224 AromaticContact CZ-CE2 3.92Å; F218-Y224 HydrophobicContact CZ-CE2 3.92Å |
| 219 | N | 97.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | trans | -120.8 | 110.4 | 176.5 | -179.8 | -55.4 | 0 | 0 | 0 | 109 | T192 T193 E217 A221 T222 V223 | T192-N219 WeakPolarHBondContact CB-ND2 3.46Å; T192-N219 WeakPolarHBondContact O-CA 3.22Å; T193-N219 HydrophobicContact CG2-CB 3.94Å; E217-N219 PolarHBondContact O-N 3.47Å; N219-A221 PolarHBondContact O-N 2.82Å; N219-T222 PolarHBondContact O-N 3.4Å; N219-T222 WeakPolarHBondContact OD1-CB 3.45Å; N219-T222 PolarHBondContact OD1-N 2.71Å; N219-T222 PolarHBondContact OD1-OG1 2.91Å; N219-V223 WeakPolarHBondContact O-CB 3.25Å; N219-V223 VanDerWaalsContact O-CG2 3.26Å; N219-V223 WeakPolarHBondContact O-CG2 3.41Å; N219-V223 PolarHBondContact O-N 2.98Å | ||
| 220 | F | 97.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.7 | -51.9 | -169.9 | 178.3 | -95.9 | 0 | 0 | 0 | 112.2 | E167 A174 Y189 I191 T192 I195 M202 F218 T222 V223 Y224 | E167-F220 HydrophobicContact CB-CD1 4.26Å; E167-F220 HydrophobicContact CB-CE1 3.52Å; E167-F220 HydrophobicContact CB-CZ 4.18Å; A174-F220 HydrophobicContact CB-CB 4.21Å; A174-F220 HydrophobicContact CB-CD1 4.29Å; A174-F220 HydrophobicContact CB-CD2 3.58Å; A174-F220 HydrophobicContact CB-CE2 3.95Å; A174-F220 HydrophobicContact CB-CG 3.76Å; A174-F220 HydrophobicContact CB-CZ 4.46Å; Y189-F220 HydrophobicContact CD1-CD1 4.35Å; Y189-F220 AromaticContact CD1-CE1 3.55Å; Y189-F220 HydrophobicContact CD1-CE1 3.55Å; Y189-F220 HydrophobicContact CD1-CZ 4.39Å; Y189-F220 AromaticContact CE1-CE1 3.85Å; Y189-F220 HydrophobicContact CE1-CE1 3.85Å; Y189-F220 HydrophobicContact CE1-CZ 4.25Å; Y189-F220 HydrophobicContact CG-CE1 4.04Å; I191-F220 HydrophobicContact CB-CB 4.36Å; I191-F220 HydrophobicContact CB-CD1 4.2Å; I191-F220 HydrophobicContact CG2-CB 4.14Å; I191-F220 WeakPolarHBondContact O-CB 3.29Å; T192-F220 PolarHBondContact O-N 2.88Å; I195-F220 HydrophobicContact CD1-CB 4.18Å; M202-F220 HydrophobicContact CE-CD2 4.24Å; M202-F220 HydrophobicContact SD-CD2 3.44Å; M202-F220 WeakPolarHBondContact SD-CD2 3.48Å; M202-F220 HydrophobicContact SD-CE2 3.51Å; M202-F220 VanDerWaalsContact SD-CE2 3.51Å; F218-F220 HydrophobicContact CE1-CB 4.22Å; F218-F220 HydrophobicContact CE1-CD2 4.42Å; F220-T222 VanDerWaalsContact C-N 3.31Å; F220-T222 PolarHBondContact O-N 2.98Å; F220-V223 PolarHBondContact O-N 2.83Å; F220-Y224 AromaticContact CD2-CD2 3.51Å; F220-Y224 HydrophobicContact CD2-CD2 3.51Å; F220-Y224 AromaticContact CD2-CE2 3.89Å; F220-Y224 HydrophobicContact CD2-CE2 3.89Å; F220-Y224 HydrophobicContact CD2-CG 4.36Å; F220-Y224 AromaticContact CE2-CD2 3.48Å; F220-Y224 HydrophobicContact CE2-CD2 3.48Å; F220-Y224 VanDerWaalsContact CE2-CD2 3.48Å; F220-Y224 AromaticContact CE2-CE2 3.8Å; F220-Y224 HydrophobicContact CE2-CE2 3.8Å; F220-Y224 AromaticContact CE2-CG 3.99Å; F220-Y224 HydrophobicContact CE2-CG 3.99Å; F220-Y224 HydrophobicContact CG-CD2 4.29Å; F220-Y224 HydrophobicContact CZ-CD2 4.22Å; F220-Y224 HydrophobicContact CZ-CG 4.32Å; F220-Y224 PolarHBondContact O-N 3.36Å |
| 221 | A | 94.1 | Very high | 86 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y189 I191 N219 S225 | Y189-A221 WeakPolarHBondContact O-CB 3.35Å; I191-A221 VanDerWaalsContact O-CB 3.22Å; I191-A221 WeakPolarHBondContact O-CB 3.49Å; I191-A221 PolarHBondContact O-N 2.83Å; N219-A221 PolarHBondContact O-N 2.82Å; A221-S225 WeakPolarHBondContact O-CA 3.49Å; A221-S225 WeakPolarHBondContact O-CB 3.31Å; A221-S225 PolarHBondContact O-N 3.32Å |
| 222 | T | 93 | Very high | 84.4 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 54% | 0.54 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | N219 F220 | N219-T222 PolarHBondContact O-N 3.4Å; N219-T222 WeakPolarHBondContact OD1-CB 3.45Å; N219-T222 PolarHBondContact OD1-N 2.71Å; N219-T222 PolarHBondContact OD1-OG1 2.91Å; F220-T222 VanDerWaalsContact C-N 3.31Å; F220-T222 PolarHBondContact O-N 2.98Å |
| 223 | V | 95.8 | Very high | 82.7 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74 | -40.8 | -174.8 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | R97 A206 W211 W212 F218 N219 F220 | R97-V223 WeakPolarHBondContact CD-O 3.19Å; R97-V223 PolarHBondContact NE-O 3.03Å; A206-V223 HydrophobicContact CB-CG1 3.59Å; W211-V223 HydrophobicContact CB-CG1 4.04Å; W212-V223 HydrophobicContact CB-CG1 4.12Å; W212-V223 HydrophobicContact CB-CG2 4.02Å; W212-V223 HydrophobicContact CG-CG2 4.27Å; F218-V223 HydrophobicContact CD2-CG2 4.37Å; F218-V223 HydrophobicContact CE2-CB 4.3Å; F218-V223 HydrophobicContact CE2-CG1 3.95Å; F218-V223 HydrophobicContact CE2-CG2 4.04Å; F218-V223 HydrophobicContact CZ-CB 4.15Å; F218-V223 HydrophobicContact CZ-CG1 3.96Å; F218-V223 HydrophobicContact CZ-CG2 4.28Å; N219-V223 WeakPolarHBondContact O-CB 3.25Å; N219-V223 VanDerWaalsContact O-CG2 3.26Å; N219-V223 WeakPolarHBondContact O-CG2 3.41Å; N219-V223 PolarHBondContact O-N 2.98Å; F220-V223 PolarHBondContact O-N 2.83Å |
| 224 | Y | 95.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -98.7 | -14.7 | -173.9 | -78.8 | -86.3 | 0 | 0 | 0 | 114.6 | G96 R97 S169 M202 A206 W211 F218 F220 | G96-Y224 CarbonylContact C-O 3.34Å; G96-Y224 WeakPolarHBondContact CA-O 3.31Å; R97-Y224 PolarHBondContact N-O 3.12Å; S169-Y224 VanDerWaalsContact OG-CD1 3.3Å; S169-Y224 WeakPolarHBondContact OG-CD1 3.22Å; M202-Y224 HydrophobicContact CG-CE2 3.57Å; M202-Y224 WeakPolarHBondContact CG-OH 3.04Å; M202-Y224 PolarHBondContact O-OH 3.44Å; M202-Y224 HydrophobicContact SD-CE2 4.03Å; A206-Y224 HydrophobicContact CB-CE2 4.32Å; W211-Y224 HydrophobicContact CE3-CD1 4.14Å; W211-Y224 HydrophobicContact CE3-CE1 4.07Å; W211-Y224 AromaticContact CZ3-CD1 3.8Å; W211-Y224 HydrophobicContact CZ3-CD1 3.8Å; W211-Y224 AromaticContact CZ3-CE1 3.67Å; W211-Y224 HydrophobicContact CZ3-CE1 3.67Å; F218-Y224 HydrophobicContact CZ-CD2 4.4Å; F218-Y224 AromaticContact CZ-CE2 3.92Å; F218-Y224 HydrophobicContact CZ-CE2 3.92Å; F220-Y224 AromaticContact CD2-CD2 3.51Å; F220-Y224 HydrophobicContact CD2-CD2 3.51Å; F220-Y224 AromaticContact CD2-CE2 3.89Å; F220-Y224 HydrophobicContact CD2-CE2 3.89Å; F220-Y224 HydrophobicContact CD2-CG 4.36Å; F220-Y224 AromaticContact CE2-CD2 3.48Å; F220-Y224 HydrophobicContact CE2-CD2 3.48Å; F220-Y224 VanDerWaalsContact CE2-CD2 3.48Å; F220-Y224 AromaticContact CE2-CE2 3.8Å; F220-Y224 HydrophobicContact CE2-CE2 3.8Å; F220-Y224 AromaticContact CE2-CG 3.99Å; F220-Y224 HydrophobicContact CE2-CG 3.99Å; F220-Y224 HydrophobicContact CG-CD2 4.29Å; F220-Y224 HydrophobicContact CZ-CD2 4.22Å; F220-Y224 HydrophobicContact CZ-CG 4.32Å; F220-Y224 PolarHBondContact O-N 3.36Å |
| 225 | S | 89.9 | Confident | 79.6 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -80.3 | 159.9 | 175.3 | -165.7 | 0 | 0 | 0 | 0 | 113.1 | R97 A221 | R97-S225 WeakPolarHBondContact CG-O 3.46Å; R97-S225 PolarHBondContact NE-O 3Å; A221-S225 WeakPolarHBondContact O-CA 3.49Å; A221-S225 WeakPolarHBondContact O-CB 3.31Å; A221-S225 PolarHBondContact O-N 3.32Å |
| 226 | F | 81.3 | Confident | 78.4 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 40% | 0.395 | 31% | 0.305 | S | S | . | . | trans | -79.3 | 144.2 | 161.8 | -64.4 | -70.8 | 0 | 0 | 0 | 110.1 | G96 R97 T228 T229 I232 | G96-F226 VanDerWaalsContact C-CZ 3.41Å; G96-F226 WeakPolarHBondContact O-CE2 3.39Å; G96-F226 WeakPolarHBondContact O-CZ 3.3Å; R97-F226 HydrophobicContact CB-CE1 4.47Å; R97-F226 HydrophobicContact CG-CD1 4.22Å; R97-F226 HydrophobicContact CG-CE1 4.31Å; F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 2.94Å; F226-T229 HydrophobicContact CB-CG2 4.18Å; F226-I232 HydrophobicContact CB-CD1 3.96Å; F226-I232 WeakPolarHBondContact O-CD1 3.29Å | ||
| 227 | L | 57.5 | Low | 77.7 | Confident | 149 Ų | 149 | 55.1 Ų | 55.1 | 78% | 0.78 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.6 | -27.3 | -176.4 | -82.9 | 159.6 | 0 | 0 | 0 | 113.7 | ||
| 228 | T | 57.1 | Low | 77.1 | Confident | 107 Ų | 107 | 48.5 Ų | 48.5 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | trans | -163.6 | 108.9 | -179.5 | 32.2 | 0 | 0 | 0 | 0 | 111.2 | F226 | F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 2.94Å | ||
| 229 | T | 60.7 | Low | 76.6 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | trans | -132.1 | 148.9 | 159.9 | 69.8 | 0 | 0 | 0 | 0 | 108.5 | F226 R231 I232 E233 | F226-T229 HydrophobicContact CB-CG2 4.18Å; T229-R231 PolarHBondContact O-N 2.83Å; T229-I232 HydrophobicContact CG2-CD1 4.45Å; T229-I232 PolarHBondContact O-N 3Å; T229-I232 WeakPolarHBondContact OG1-CD1 3.41Å; T229-I232 WeakPolarHBondContact OG1-CG1 3.26Å; T229-I232 PolarHBondContact OG1-N 2.79Å; T229-E233 PolarHBondContact O-N 2.97Å; T229-E233 VanDerWaalsContact O-N 3.1Å | ||
| 230 | A | 58 | Low | 76.2 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.9 | -28 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S234 | A230-S234 PolarHBondContact O-N 2.63Å; A230-S234 VanDerWaalsContact O-N 3.09Å |
| 231 | R | 61.6 | Low | 75.9 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 25% | 0.253 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 174.1 | -63.2 | -170.2 | -168.7 | -174.9 | 7.7 | 112 | F2 W95 T229 E233 S234 A235 | F2-R231 HydrophobicContact CB-CG 4.46Å; W95-R231 VanDerWaalsContact CE2-NH1 3.29Å; T229-R231 PolarHBondContact O-N 2.83Å; R231-E233 VanDerWaalsContact C-N 3.32Å; R231-S234 PolarHBondContact O-N 3.27Å; R231-A235 WeakPolarHBondContact O-CB 3.46Å; R231-A235 PolarHBondContact O-N 2.84Å |
| 232 | I | 62.7 | Low | 75.9 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.7 | -65.1 | 166.7 | 0 | 0 | 0 | 110.2 | F226 T229 A235 G236 | F226-I232 HydrophobicContact CB-CD1 3.96Å; F226-I232 WeakPolarHBondContact O-CD1 3.29Å; T229-I232 HydrophobicContact CG2-CD1 4.45Å; T229-I232 PolarHBondContact O-N 3Å; T229-I232 WeakPolarHBondContact OG1-CD1 3.41Å; T229-I232 WeakPolarHBondContact OG1-CG1 3.26Å; T229-I232 PolarHBondContact OG1-N 2.79Å; I232-A235 PolarHBondContact O-N 2.94Å; I232-G236 PolarHBondContact O-N 2.75Å |
| 233 | E | 61.5 | Low | 75.9 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 176.2 | -68.4 | 173.9 | 177.5 | 0 | 0 | 112.2 | T229 R231 G236 T237 | T229-E233 PolarHBondContact O-N 2.97Å; T229-E233 VanDerWaalsContact O-N 3.1Å; R231-E233 VanDerWaalsContact C-N 3.32Å; E233-G236 PolarHBondContact O-N 2.72Å; E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.48Å |
| 234 | S | 61.3 | Low | 75.9 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 175 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | A230 R231 G236 T237 R238 | A230-S234 PolarHBondContact O-N 2.63Å; A230-S234 VanDerWaalsContact O-N 3.09Å; R231-S234 PolarHBondContact O-N 3.27Å; S234-G236 VanDerWaalsContact C-N 3.3Å; S234-G236 PolarHBondContact O-N 3.1Å; S234-T237 WeakPolarHBondContact O-CB 3.11Å; S234-T237 PolarHBondContact O-N 2.82Å; S234-T237 VanDerWaalsContact O-N 3.14Å; S234-R238 PolarHBondContact O-N 3.48Å; S234-R238 VanDerWaalsContact O-N 3.07Å |
| 235 | A | 63 | Low | 75.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N187 Q188 R231 I232 T237 R238 Y239 | N187-A235 HydrophobicContact CB-CB 4.09Å; Q188-A235 HydrophobicContact CB-CB 4.28Å; Q188-A235 HydrophobicContact CG-CB 4.39Å; R231-A235 WeakPolarHBondContact O-CB 3.46Å; R231-A235 PolarHBondContact O-N 2.84Å; I232-A235 PolarHBondContact O-N 2.94Å; A235-T237 VanDerWaalsContact C-N 3.31Å; A235-T237 PolarHBondContact O-N 3.24Å; A235-R238 PolarHBondContact O-N 3.21Å; A235-Y239 WeakPolarHBondContact O-CB 3.5Å; A235-Y239 PolarHBondContact O-N 3.38Å |
| 236 | G | 69.6 | Low | 76.2 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I232 E233 S234 C240 | I232-G236 PolarHBondContact O-N 2.75Å; E233-G236 PolarHBondContact O-N 2.72Å; S234-G236 VanDerWaalsContact C-N 3.3Å; S234-G236 PolarHBondContact O-N 3.1Å; G236-C240 WeakPolarHBondContact O-CB 3.44Å; G236-C240 PolarHBondContact O-N 3.1Å; G236-C240 VanDerWaalsContact O-N 3.09Å; G236-C240 PolarHBondContact O-SG 2.98Å |
| 237 | T | 80.4 | Confident | 76.9 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -51.4 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | E233 S234 A235 Y239 C240 E241 | E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.48Å; S234-T237 WeakPolarHBondContact O-CB 3.11Å; S234-T237 PolarHBondContact O-N 2.82Å; S234-T237 VanDerWaalsContact O-N 3.14Å; A235-T237 VanDerWaalsContact C-N 3.31Å; A235-T237 PolarHBondContact O-N 3.24Å; T237-Y239 PolarHBondContact O-N 2.94Å; T237-C240 WeakPolarHBondContact O-CB 3.34Å; T237-C240 PolarHBondContact O-N 2.71Å; T237-C240 VanDerWaalsContact O-N 3.16Å; T237-E241 WeakPolarHBondContact O-CG 3.42Å; T237-E241 PolarHBondContact O-N 2.92Å |
| 238 | R | 85 | Confident | 78.7 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 4% | 0.038 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.6 | -60.7 | -156.4 | -42.5 | 178 | 16.1 | 113.2 | S5 C6 D7 D28 S234 A235 C240 E241 G242 G268 M271 | S5-R238 PolarHBondContact O-NH1 3.36Å; S5-R238 VanDerWaalsContact O-NH1 3.14Å; S5-R238 PolarHBondContact O-NH2 3.24Å; C6-R238 PolarHBondContact O-NH2 3.46Å; D7-R238 IonicContact OD1-CZ 2.92Å; D7-R238 IonicContact OD1-NE 2.94Å; D7-R238 PolarHBondContact OD1-NE 3.09Å; D7-R238 IonicContact OD1-NH2 3.38Å; D7-R238 PolarHBondContact OD1-NH2 3.37Å; D7-R238 IonicContact OD2-CZ 3.91Å; D7-R238 IonicContact OD2-NE 2.82Å; D7-R238 PolarHBondContact OD2-NE 3.24Å; D7-R238 IonicContact OD2-NH1 3.68Å; D7-R238 IonicContact OD2-NH2 3.18Å; D7-R238 PolarHBondContact OD2-NH2 3.41Å; D28-R238 IonicContact OD2-NH1 3.04Å; D28-R238 PolarHBondContact OD2-NH1 2.76Å; D28-R238 IonicContact OD2-NH2 3.96Å; S234-R238 PolarHBondContact O-N 3.48Å; S234-R238 VanDerWaalsContact O-N 3.07Å; A235-R238 PolarHBondContact O-N 3.21Å; R238-C240 VanDerWaalsContact C-N 3.28Å; R238-C240 PolarHBondContact O-N 3.29Å; R238-E241 PolarHBondContact O-N 3.12Å; R238-G242 PolarHBondContact O-N 3.12Å; R238-G268 WeakPolarHBondContact CD-O 3.35Å; R238-G268 PolarHBondContact NH1-O 2.58Å; R238-G268 VanDerWaalsContact NH1-O 3.14Å; R238-M271 VanDerWaalsContact NH1-CG 3.34Å; R238-M271 PolarHBondContact NH1-SD 3.08Å |
| 239 | Y | 86.8 | Confident | 80.6 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.6 | -45.6 | 172.9 | 173.7 | -96.5 | 0 | 0 | 0 | 111.3 | R183 N184 A235 T237 K243 | R183-Y239 PolarHBondContact NH1-OH 3.49Å; R183-Y239 VanDerWaalsContact NH1-OH 3.12Å; N184-Y239 WeakPolarHBondContact ND2-CD2 3.17Å; N184-Y239 PolarHBondContact ND2-O 3.22Å; N184-Y239 WeakPolarHBondContact O-CE2 3.22Å; A235-Y239 WeakPolarHBondContact O-CB 3.5Å; A235-Y239 PolarHBondContact O-N 3.38Å; T237-Y239 PolarHBondContact O-N 2.94Å; Y239-K243 VanDerWaalsContact O-CB 3.29Å; Y239-K243 WeakPolarHBondContact O-CB 3.37Å; Y239-K243 PolarHBondContact O-N 3.39Å |
| 240 | C | 88.3 | Confident | 82.2 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 51% | 0.507 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.6 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | G236 T237 R238 K243 S244 | G236-C240 WeakPolarHBondContact O-CB 3.44Å; G236-C240 PolarHBondContact O-N 3.1Å; G236-C240 VanDerWaalsContact O-N 3.09Å; G236-C240 PolarHBondContact O-SG 2.98Å; T237-C240 WeakPolarHBondContact O-CB 3.34Å; T237-C240 PolarHBondContact O-N 2.71Å; T237-C240 VanDerWaalsContact O-N 3.16Å; R238-C240 VanDerWaalsContact C-N 3.28Å; R238-C240 PolarHBondContact O-N 3.29Å; C240-K243 PolarHBondContact O-N 3.33Å; C240-S244 WeakPolarHBondContact O-CB 3.46Å; C240-S244 PolarHBondContact O-N 3.05Å |
| 241 | E | 92.2 | Very high | 83.9 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 178 | -69.6 | -55.8 | 144.8 | 0 | 0 | 111.9 | T237 R238 K243 S244 L245 | T237-E241 WeakPolarHBondContact O-CG 3.42Å; T237-E241 PolarHBondContact O-N 2.92Å; R238-E241 PolarHBondContact O-N 3.12Å; E241-K243 VanDerWaalsContact C-N 3.33Å; E241-K243 PolarHBondContact O-N 3.13Å; E241-S244 CarbonylContact O-C 3.54Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.33Å; E241-S244 PolarHBondContact O-N 2.84Å; E241-S244 VanDerWaalsContact O-N 3.1Å; E241-L245 WeakPolarHBondContact O-CG 3.1Å; E241-L245 PolarHBondContact O-N 3.4Å |
| 242 | G | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R238 L245 L246 | R238-G242 PolarHBondContact O-N 3.12Å; G242-L245 PolarHBondContact O-N 3.25Å; G242-L246 PolarHBondContact O-N 2.86Å |
| 243 | K | 93.4 | Very high | 87.2 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.8 | -176.5 | -179.1 | 175.1 | -177 | 0 | 111.7 | Y182 Y239 C240 E241 L245 L246 E247 | Y182-K243 HydrophobicContact CE2-CG 4.24Å; Y239-K243 VanDerWaalsContact O-CB 3.29Å; Y239-K243 WeakPolarHBondContact O-CB 3.37Å; Y239-K243 PolarHBondContact O-N 3.39Å; C240-K243 PolarHBondContact O-N 3.33Å; E241-K243 VanDerWaalsContact C-N 3.33Å; E241-K243 PolarHBondContact O-N 3.13Å; K243-L245 VanDerWaalsContact C-N 3.33Å; K243-L245 PolarHBondContact O-N 2.92Å; K243-L246 PolarHBondContact O-N 3.09Å; K243-E247 WeakPolarHBondContact O-CB 3.47Å; K243-E247 PolarHBondContact O-N 2.75Å |
| 244 | S | 95.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | C240 E241 E247 K248 | C240-S244 WeakPolarHBondContact O-CB 3.46Å; C240-S244 PolarHBondContact O-N 3.05Å; E241-S244 CarbonylContact O-C 3.54Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.33Å; E241-S244 PolarHBondContact O-N 2.84Å; E241-S244 VanDerWaalsContact O-N 3.1Å; S244-E247 PolarHBondContact O-N 3.11Å; S244-K248 VanDerWaalsContact O-CG 3.24Å; S244-K248 WeakPolarHBondContact O-CG 3.32Å; S244-K248 PolarHBondContact O-N 3.11Å |
| 245 | L | 95.6 | Very high | 90.6 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.2 | -71.4 | 169.8 | 0 | 0 | 0 | 112.7 | E241 G242 K243 I261 D264 I269 | E241-L245 WeakPolarHBondContact O-CG 3.1Å; E241-L245 PolarHBondContact O-N 3.4Å; G242-L245 PolarHBondContact O-N 3.25Å; K243-L245 VanDerWaalsContact C-N 3.33Å; K243-L245 PolarHBondContact O-N 2.92Å; L245-I261 HydrophobicContact CB-CD1 4.24Å; L245-I261 HydrophobicContact CB-CG1 4.05Å; L245-I261 HydrophobicContact CD1-CG2 4.3Å; L245-D264 HydrophobicContact CD1-CB 4.22Å; L245-I269 HydrophobicContact CD1-CD1 3.48Å; L245-I269 VanDerWaalsContact CD1-CD1 3.48Å |
| 246 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 172 | -71.1 | 173.4 | 0 | 0 | 0 | 111.5 | F9 Y182 N184 G242 K243 K248 R249 N250 I253 M258 I261 | F9-L246 HydrophobicContact CD1-CD1 3.75Å; F9-L246 HydrophobicContact CD1-CD2 4.42Å; F9-L246 HydrophobicContact CD1-CG 4.1Å; Y182-L246 HydrophobicContact CD2-CB 3.6Å; Y182-L246 HydrophobicContact CD2-CD1 3.77Å; Y182-L246 HydrophobicContact CD2-CG 4.33Å; Y182-L246 HydrophobicContact CE2-CB 3.95Å; Y182-L246 HydrophobicContact CG-CB 4.04Å; Y182-L246 HydrophobicContact CG-CD1 4.31Å; N184-L246 HydrophobicContact CB-CD1 4.16Å; G242-L246 PolarHBondContact O-N 2.86Å; K243-L246 PolarHBondContact O-N 3.09Å; L246-K248 PolarHBondContact O-N 3.41Å; L246-R249 CarbonylContact O-C 3.44Å; L246-R249 PolarHBondContact O-N 3.49Å; L246-N250 PolarHBondContact O-N 2.88Å; L246-I253 HydrophobicContact CB-CD1 4.46Å; L246-I253 HydrophobicContact CD2-CD1 3.83Å; L246-M258 HydrophobicContact CD2-CE 4.06Å; L246-I261 HydrophobicContact CD2-CD1 3.81Å; L246-I261 HydrophobicContact CG-CD1 4.33Å |
| 247 | E | 95.9 | Very high | 93.6 | Very high | 113 Ų | 113 | 56 Ų | 56 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | -178.6 | -175.1 | 166.2 | -171.5 | 0 | 0 | 112.3 | Y182 K243 S244 R249 N250 | Y182-E247 HydrophobicContact CE2-CB 4.48Å; Y182-E247 VanDerWaalsContact OH-CB 3.28Å; Y182-E247 WeakPolarHBondContact OH-CB 3.5Å; Y182-E247 WeakPolarHBondContact OH-CG 3.35Å; K243-E247 WeakPolarHBondContact O-CB 3.47Å; K243-E247 PolarHBondContact O-N 2.75Å; S244-E247 PolarHBondContact O-N 3.11Å; E247-R249 PolarHBondContact O-N 3.19Å; E247-R249 VanDerWaalsContact O-N 3.09Å; E247-N250 WeakPolarHBondContact O-CB 3.26Å; E247-N250 PolarHBondContact O-N 3.04Å; E247-N250 VanDerWaalsContact O-N 3.14Å |
| 248 | K | 96.3 | Very high | 94.5 | Very high | 150 Ų | 150 | 52 Ų | 52 | 65% | 0.652 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.8 | 174.8 | -75.2 | 167.4 | -172.8 | 168.7 | 0 | 113.4 | S244 L246 | S244-K248 VanDerWaalsContact O-CG 3.24Å; S244-K248 WeakPolarHBondContact O-CG 3.32Å; S244-K248 PolarHBondContact O-N 3.11Å; L246-K248 PolarHBondContact O-N 3.41Å |
| 249 | R | 95.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 8.1 | -177.1 | -59.5 | -173 | -179.7 | -118.7 | 16.1 | 112.8 | L246 E247 G251 H252 I253 D260 | L246-R249 CarbonylContact O-C 3.44Å; L246-R249 PolarHBondContact O-N 3.49Å; E247-R249 PolarHBondContact O-N 3.19Å; E247-R249 VanDerWaalsContact O-N 3.09Å; R249-G251 PolarHBondContact O-N 3.16Å; R249-H252 CarbonylContact O-C 3.58Å; R249-H252 WeakPolarHBondContact O-CA 3.39Å; R249-H252 PolarHBondContact O-N 3.41Å; R249-I253 HydrophobicContact CB-CG1 3.99Å; R249-I253 VanDerWaalsContact O-CG1 3.27Å; R249-I253 WeakPolarHBondContact O-CG1 3.37Å; R249-I253 PolarHBondContact O-N 3.37Å; R249-D260 IonicContact CZ-OD2 2.75Å; R249-D260 IonicContact NH1-OD2 3.19Å; R249-D260 IonicContact NH2-OD2 3.76Å; R249-D260 PolarHBondContact NH2-OD2 2.76Å |
| 250 | N | 94.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.9 | -177.2 | -175.9 | 31.1 | 0 | 0 | 0 | 111.5 | S15 Y182 L246 E247 H252 | S15-N250 VanDerWaalsContact CB-OD1 3.22Å; S15-N250 WeakPolarHBondContact CB-OD1 3.18Å; S15-N250 PolarHBondContact OG-OD1 2.8Å; Y182-N250 HydrophobicContact CE1-CB 4Å; L246-N250 PolarHBondContact O-N 2.88Å; E247-N250 WeakPolarHBondContact O-CB 3.26Å; E247-N250 PolarHBondContact O-N 3.04Å; E247-N250 VanDerWaalsContact O-N 3.14Å; N250-H252 VanDerWaalsContact C-N 3.33Å |
| 251 | G | 93.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -11.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P14 S15 R249 | P14-G251 WeakPolarHBondContact O-CA 3.47Å; S15-G251 CarbonylContact O-C 3.59Å; S15-G251 WeakPolarHBondContact O-CA 3.49Å; S15-G251 PolarHBondContact O-N 3.03Å; R249-G251 PolarHBondContact O-N 3.16Å |
| 252 | H | 94.9 | Very high | 96.3 | Very high | 134 Ų | 134 | 45.4 Ų | 45.4 | 62% | 0.62 | 23% | 0.225 | S | C | * | . | trans | -138.2 | 23.8 | -174.3 | -57.9 | -65.5 | 0 | 0 | 0 | 112.1 | S15 R249 N250 T254 | S15-H252 PolarHBondContact O-N 2.79Å; S15-H252 VanDerWaalsContact O-N 3.16Å; R249-H252 CarbonylContact O-C 3.58Å; R249-H252 WeakPolarHBondContact O-CA 3.39Å; R249-H252 PolarHBondContact O-N 3.41Å; N250-H252 VanDerWaalsContact C-N 3.33Å; H252-T254 PolarHBondContact O-N 3.43Å | ||
| 253 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 114.7 | 178.7 | -56.2 | 178.6 | 0 | 0 | 0 | 107.7 | A11 S15 S16 E17 I22 L246 R249 M258 | A11-I253 HydrophobicContact CB-CB 4Å; A11-I253 HydrophobicContact CB-CD1 3.64Å; A11-I253 HydrophobicContact CB-CG1 4.39Å; A11-I253 HydrophobicContact CB-CG2 3.79Å; S15-I253 PolarHBondContact O-N 3.28Å; S15-I253 VanDerWaalsContact O-N 3.17Å; S15-I253 WeakPolarHBondContact OG-CD1 3.36Å; S16-I253 CarbonylContact C-O 3.54Å; S16-I253 WeakPolarHBondContact CA-O 3.32Å; E17-I253 PolarHBondContact N-O 2.69Å; I22-I253 HydrophobicContact CD1-CG2 4.22Å; I22-I253 WeakPolarHBondContact CD1-O 3.37Å; L246-I253 HydrophobicContact CB-CD1 4.46Å; L246-I253 HydrophobicContact CD2-CD1 3.83Å; R249-I253 HydrophobicContact CB-CG1 3.99Å; R249-I253 VanDerWaalsContact O-CG1 3.27Å; R249-I253 WeakPolarHBondContact O-CG1 3.37Å; R249-I253 PolarHBondContact O-N 3.37Å; I253-M258 HydrophobicContact CG2-CE 4.24Å |
| 254 | T | 97.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | trans | -106.2 | 177.7 | 171.8 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | E17 H252 E256 A257 M258 | E17-T254 HydrophobicContact CB-CG2 3.96Å; E17-T254 WeakPolarHBondContact OE2-CG2 3.31Å; H252-T254 PolarHBondContact O-N 3.43Å; T254-E256 WeakPolarHBondContact CB-OE2 3.46Å; T254-E256 PolarHBondContact OG1-N 3.29Å; T254-E256 VanDerWaalsContact OG1-N 3.16Å; T254-E256 PolarHBondContact OG1-OE2 2.75Å; T254-A257 PolarHBondContact O-N 2.73Å; T254-A257 PolarHBondContact OG1-N 2.93Å; T254-A257 VanDerWaalsContact OG1-N 3.08Å; T254-M258 PolarHBondContact O-N 3.2Å | ||
| 255 | A | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | A257 M258 M259 V282 V284 M383 | A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 2.81Å; A255-M258 PolarHBondContact O-N 3.02Å; A255-M259 VanDerWaalsContact O-CG 3.29Å; A255-M259 WeakPolarHBondContact O-CG 3.2Å; A255-M259 PolarHBondContact O-N 3.1Å; A255-V282 HydrophobicContact CB-CG1 4.37Å; A255-V284 HydrophobicContact CB-CG2 3.56Å; A255-M383 HydrophobicContact CB-CE 3.62Å |
| 256 | E | 97.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.7 | -63.1 | 91.8 | 172.5 | 0 | 0 | 111 | T254 M258 M259 D260 M383 | T254-E256 WeakPolarHBondContact CB-OE2 3.46Å; T254-E256 PolarHBondContact OG1-N 3.29Å; T254-E256 VanDerWaalsContact OG1-N 3.16Å; T254-E256 PolarHBondContact OG1-OE2 2.75Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 3.27Å; E256-M259 PolarHBondContact O-N 2.86Å; E256-M259 VanDerWaalsContact O-N 3.17Å; E256-D260 PolarHBondContact O-N 2.75Å; E256-M383 HydrophobicContact CB-CE 4.35Å; E256-M383 VanDerWaalsContact CD-CE 3.48Å; E256-M383 HydrophobicContact CG-CE 3.49Å; E256-M383 VanDerWaalsContact CG-CE 3.49Å; E256-M383 HydrophobicContact CG-SD 4.06Å |
| 257 | A | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T254 A255 D260 I261 | T254-A257 PolarHBondContact O-N 2.73Å; T254-A257 PolarHBondContact OG1-N 2.93Å; T254-A257 VanDerWaalsContact OG1-N 3.08Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 2.81Å; A257-D260 PolarHBondContact O-N 3.35Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.65Å; A257-I261 VanDerWaalsContact O-N 3.11Å |
| 258 | M | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 176.6 | -170.5 | 62.2 | 74 | 0 | 0 | 111.6 | F9 I22 L246 I253 T254 A255 E256 D260 I261 L262 V282 | F9-M258 HydrophobicContact CB-CE 3.79Å; F9-M258 HydrophobicContact CB-SD 3.65Å; F9-M258 HydrophobicContact CD2-SD 4.39Å; F9-M258 HydrophobicContact CG-SD 4.14Å; I22-M258 HydrophobicContact CG2-CB 3.79Å; I22-M258 HydrophobicContact CG2-CE 3.92Å; I22-M258 HydrophobicContact CG2-CG 4.06Å; L246-M258 HydrophobicContact CD2-CE 4.06Å; I253-M258 HydrophobicContact CG2-CE 4.24Å; T254-M258 PolarHBondContact O-N 3.2Å; A255-M258 PolarHBondContact O-N 3.02Å; E256-M258 VanDerWaalsContact C-N 3.28Å; E256-M258 PolarHBondContact O-N 3.27Å; M258-D260 VanDerWaalsContact C-N 3.29Å; M258-D260 PolarHBondContact O-N 2.85Å; M258-I261 WeakPolarHBondContact O-CB 3.43Å; M258-I261 PolarHBondContact O-N 2.83Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 2.75Å; M258-V282 HydrophobicContact CB-CG1 4.16Å; M258-V282 HydrophobicContact CB-CG2 4.27Å; M258-V282 HydrophobicContact CG-CG1 4.2Å; M258-V282 HydrophobicContact CG-CG2 3.89Å |
| 259 | M | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.3 | -66.7 | 175.6 | -171.6 | 0 | 0 | 112.1 | A255 E256 L262 R263 V282 Y296 F308 M383 | A255-M259 VanDerWaalsContact O-CG 3.29Å; A255-M259 WeakPolarHBondContact O-CG 3.2Å; A255-M259 PolarHBondContact O-N 3.1Å; E256-M259 PolarHBondContact O-N 2.86Å; E256-M259 VanDerWaalsContact O-N 3.17Å; M259-L262 PolarHBondContact O-N 2.84Å; M259-R263 WeakPolarHBondContact O-CD 3.48Å; M259-R263 VanDerWaalsContact O-CG 3.24Å; M259-R263 WeakPolarHBondContact O-CG 3.21Å; M259-R263 PolarHBondContact O-N 2.86Å; M259-V282 HydrophobicContact CE-CB 4.21Å; M259-V282 HydrophobicContact CE-CG1 4.4Å; M259-V282 HydrophobicContact CG-CB 4.26Å; M259-V282 HydrophobicContact CG-CG2 3.68Å; M259-Y296 HydrophobicContact CE-CD1 3.86Å; M259-Y296 HydrophobicContact CE-CD2 3.8Å; M259-Y296 HydrophobicContact CE-CE1 4.3Å; M259-Y296 HydrophobicContact CE-CE2 4.25Å; M259-Y296 HydrophobicContact CE-CG 3.59Å; M259-F308 HydrophobicContact CB-CD2 3.96Å; M259-F308 HydrophobicContact CB-CE2 3.77Å; M259-F308 HydrophobicContact CB-CZ 4.4Å; M259-F308 HydrophobicContact CE-CB 3.62Å; M259-F308 HydrophobicContact CE-CD1 4.31Å; M259-F308 HydrophobicContact CE-CD2 4.32Å; M259-F308 HydrophobicContact CE-CG 3.85Å; M259-F308 HydrophobicContact CG-CD1 4.3Å; M259-F308 HydrophobicContact CG-CD2 3.54Å; M259-F308 HydrophobicContact CG-CE1 4.39Å; M259-F308 HydrophobicContact CG-CE2 3.68Å; M259-F308 HydrophobicContact CG-CG 3.9Å; M259-F308 HydrophobicContact CG-CZ 4.11Å; M259-F308 HydrophobicContact SD-CB 3.77Å; M259-F308 HydrophobicContact SD-CD2 3.58Å; M259-F308 VanDerWaalsContact SD-CD2 3.58Å; M259-F308 HydrophobicContact SD-CE2 4.33Å; M259-F308 HydrophobicContact SD-CG 3.73Å; M259-M383 HydrophobicContact CE-CE 3.99Å; M259-M383 HydrophobicContact CE-CG 4.44Å; M259-M383 HydrophobicContact CE-SD 3.88Å; M259-M383 HydrophobicContact SD-CE 4.11Å; M259-M383 HydrophobicContact SD-SD 3.65Å; M259-M383 VanDerWaalsContact SD-SD 3.65Å |
| 260 | D | 98 | Very high | 95.6 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -44.6 | 173.1 | -70.7 | -16.8 | 0 | 0 | 0 | 111.3 | R249 E256 A257 M258 L262 R263 D264 | R249-D260 IonicContact CZ-OD2 2.75Å; R249-D260 IonicContact NH1-OD2 3.19Å; R249-D260 IonicContact NH2-OD2 3.76Å; R249-D260 PolarHBondContact NH2-OD2 2.76Å; E256-D260 PolarHBondContact O-N 2.75Å; A257-D260 PolarHBondContact O-N 3.35Å; M258-D260 VanDerWaalsContact C-N 3.29Å; M258-D260 PolarHBondContact O-N 2.85Å; D260-L262 VanDerWaalsContact C-N 3.33Å; D260-L262 PolarHBondContact O-N 3.17Å; D260-R263 WeakPolarHBondContact O-CB 3.46Å; D260-R263 PolarHBondContact O-N 3.16Å; D260-R263 VanDerWaalsContact O-N 3.11Å; D260-D264 PolarHBondContact O-N 2.76Å |
| 261 | I | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 177 | -69 | 171.7 | 0 | 0 | 0 | 110.2 | F9 L245 L246 A257 M258 R263 D264 I269 | F9-I261 HydrophobicContact CD1-CG2 4.44Å; F9-I261 HydrophobicContact CE1-CG2 4.05Å; F9-I261 HydrophobicContact CE2-CG2 4.15Å; F9-I261 HydrophobicContact CZ-CG2 3.91Å; L245-I261 HydrophobicContact CB-CD1 4.24Å; L245-I261 HydrophobicContact CB-CG1 4.05Å; L245-I261 HydrophobicContact CD1-CG2 4.3Å; L246-I261 HydrophobicContact CD2-CD1 3.81Å; L246-I261 HydrophobicContact CG-CD1 4.33Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 2.65Å; A257-I261 VanDerWaalsContact O-N 3.11Å; M258-I261 WeakPolarHBondContact O-CB 3.43Å; M258-I261 PolarHBondContact O-N 2.83Å; I261-R263 PolarHBondContact O-N 3.19Å; I261-D264 WeakPolarHBondContact O-CB 3.38Å; I261-D264 PolarHBondContact O-N 3.35Å; I261-D264 VanDerWaalsContact O-N 3.12Å; I261-I269 HydrophobicContact CG2-CD1 3.84Å; I261-I269 WeakPolarHBondContact O-CG2 3.14Å |
| 262 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -17.5 | 179.1 | -65.1 | -176 | 0 | 0 | 0 | 113.4 | F9 N26 M258 M259 D260 I269 N270 M281 V282 P303 F308 | F9-L262 HydrophobicContact CD2-CD2 3.81Å; F9-L262 HydrophobicContact CE2-CD2 3.75Å; N26-L262 HydrophobicContact CB-CD2 4.47Å; N26-L262 PolarHBondContact ND2-O 3.23Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 2.75Å; M259-L262 PolarHBondContact O-N 2.84Å; D260-L262 VanDerWaalsContact C-N 3.33Å; D260-L262 PolarHBondContact O-N 3.17Å; L262-I269 HydrophobicContact CD2-CG2 4.46Å; L262-N270 WeakPolarHBondContact O-CB 3.28Å; L262-M281 WeakPolarHBondContact CD1-O 3.32Å; L262-V282 HydrophobicContact CD1-CG2 3.59Å; L262-P303 WeakPolarHBondContact O-CG 3.35Å; L262-F308 HydrophobicContact CB-CZ 4.46Å; L262-F308 HydrophobicContact CD1-CE1 4.36Å; L262-F308 HydrophobicContact CD1-CZ 4.09Å |
| 263 | R | 97.6 | Very high | 95 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -91.2 | -11.9 | 176.2 | -74.7 | 171.7 | 174.5 | 128.7 | 7.5 | 114.1 | M259 D260 I261 K265 N270 P303 E379 | M259-R263 WeakPolarHBondContact O-CD 3.48Å; M259-R263 VanDerWaalsContact O-CG 3.24Å; M259-R263 WeakPolarHBondContact O-CG 3.21Å; M259-R263 PolarHBondContact O-N 2.86Å; D260-R263 WeakPolarHBondContact O-CB 3.46Å; D260-R263 PolarHBondContact O-N 3.16Å; D260-R263 VanDerWaalsContact O-N 3.11Å; I261-R263 PolarHBondContact O-N 3.19Å; R263-K265 PolarHBondContact O-N 2.88Å; R263-K265 VanDerWaalsContact O-N 3.07Å; R263-N270 WeakPolarHBondContact O-CB 3.25Å; R263-N270 PolarHBondContact O-ND2 3.33Å; R263-P303 HydrophobicContact CG-CB 3.85Å; R263-P303 HydrophobicContact CG-CG 4.23Å; R263-P303 PolarHBondContact NE-O 2.84Å; R263-P303 PolarHBondContact NH2-O 2.9Å; R263-E379 IonicContact CZ-OE1 2.68Å; R263-E379 VanDerWaalsContact CZ-OE1 3.29Å; R263-E379 IonicContact CZ-OE2 2.65Å; R263-E379 IonicContact NH1-OE1 3.55Å; R263-E379 PolarHBondContact NH1-OE1 3.14Å; R263-E379 IonicContact NH1-OE2 2.83Å; R263-E379 IonicContact NH2-OE1 2.86Å; R263-E379 PolarHBondContact NH2-OE1 2.99Å; R263-E379 IonicContact NH2-OE2 3.65Å; R263-E379 PolarHBondContact NH2-OE2 2.71Å |
| 264 | D | 96.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | trans | -70.4 | 105.2 | -169.3 | -167.2 | -77.6 | 0 | 0 | 0 | 111.3 | L245 D260 I261 D266 S267 I269 N270 | L245-D264 HydrophobicContact CD1-CB 4.22Å; D260-D264 PolarHBondContact O-N 2.76Å; I261-D264 WeakPolarHBondContact O-CB 3.38Å; I261-D264 PolarHBondContact O-N 3.35Å; I261-D264 VanDerWaalsContact O-N 3.12Å; D264-D266 PolarHBondContact OD1-N 3.5Å; D264-S267 PolarHBondContact O-OG 2.8Å; D264-S267 WeakPolarHBondContact OD1-CB 3.48Å; D264-S267 PolarHBondContact OD1-N 2.8Å; D264-S267 PolarHBondContact OD1-OG 3.47Å; D264-I269 PolarHBondContact O-N 2.91Å; D264-N270 PolarHBondContact O-N 2.88Å | ||
| 265 | K | 92.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.4 | 178.6 | -70 | -177.8 | 176.7 | 174.9 | 0 | 112.4 | R263 S267 G268 N270 E272 D302 E304 | R263-K265 PolarHBondContact O-N 2.88Å; R263-K265 VanDerWaalsContact O-N 3.07Å; K265-S267 VanDerWaalsContact C-N 3.33Å; K265-S267 PolarHBondContact O-N 2.9Å; K265-G268 PolarHBondContact O-N 3.37Å; K265-N270 WeakPolarHBondContact CE-ND2 3.49Å; K265-N270 HydrophobicContact CG-CB 3.85Å; K265-E272 WeakPolarHBondContact CE-OE1 3.12Å; K265-E272 VanDerWaalsContact NZ-CD 3.29Å; K265-E272 IonicContact NZ-OE1 3.29Å; K265-E272 PolarHBondContact NZ-OE1 2.74Å; K265-E272 IonicContact NZ-OE2 2.81Å; K265-D302 IonicContact NZ-OD1 3.16Å; K265-D302 IonicContact NZ-OD2 3.66Å; K265-D302 PolarHBondContact NZ-OD2 3.02Å; K265-E304 VanDerWaalsContact CE-OE2 3.25Å; K265-E304 WeakPolarHBondContact CE-OE2 3.47Å; K265-E304 IonicContact NZ-OE2 2.72Å; K265-E304 PolarHBondContact NZ-OE2 2.68Å |
| 266 | D | 91.3 | Very high | 93.9 | Very high | 167 Ų | 167 | 41.2 Ų | 41.2 | 89% | 0.893 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -37.2 | -176.3 | -72.9 | -15.4 | 0 | 0 | 0 | 111.9 | D264 G268 | D264-D266 PolarHBondContact OD1-N 3.5Å; D266-G268 VanDerWaalsContact C-N 3.28Å |
| 267 | S | 89.9 | Confident | 93.8 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | D264 K265 I269 | D264-S267 PolarHBondContact O-OG 2.8Å; D264-S267 WeakPolarHBondContact OD1-CB 3.48Å; D264-S267 PolarHBondContact OD1-N 2.8Å; D264-S267 PolarHBondContact OD1-OG 3.47Å; K265-S267 VanDerWaalsContact C-N 3.33Å; K265-S267 PolarHBondContact O-N 2.9Å; S267-I269 VanDerWaalsContact C-N 3.31Å; S267-I269 VanDerWaalsContact OG-CD1 3.31Å; S267-I269 WeakPolarHBondContact OG-CD1 3.18Å; S267-I269 VanDerWaalsContact OG-CG1 3.3Å; S267-I269 WeakPolarHBondContact OG-CG1 3.5Å; S267-I269 PolarHBondContact OG-N 2.95Å |
| 268 | G | 89.8 | Confident | 93.8 | Very high | 24 Ų | 24 | 37 Ų | 37 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R238 K265 D266 M271 | R238-G268 WeakPolarHBondContact CD-O 3.35Å; R238-G268 PolarHBondContact NH1-O 2.58Å; R238-G268 VanDerWaalsContact NH1-O 3.14Å; K265-G268 PolarHBondContact O-N 3.37Å; D266-G268 VanDerWaalsContact C-N 3.28Å; G268-M271 WeakPolarHBondContact O-CG 3.24Å |
| 269 | I | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -67.9 | -41.8 | 176.6 | -68.1 | 168.1 | 0 | 0 | 0 | 110.8 | D7 F9 N26 L245 I261 L262 D264 S267 | D7-I269 HydrophobicContact CB-CG2 4.47Å; D7-I269 WeakPolarHBondContact OD2-CA 3.49Å; F9-I269 HydrophobicContact CE1-CD1 4.42Å; F9-I269 HydrophobicContact CE2-CG2 4.13Å; F9-I269 HydrophobicContact CZ-CD1 3.8Å; F9-I269 HydrophobicContact CZ-CG1 4.21Å; F9-I269 HydrophobicContact CZ-CG2 4.17Å; N26-I269 PolarHBondContact ND2-O 3.19Å; L245-I269 HydrophobicContact CD1-CD1 3.48Å; L245-I269 VanDerWaalsContact CD1-CD1 3.48Å; I261-I269 HydrophobicContact CG2-CD1 3.84Å; I261-I269 WeakPolarHBondContact O-CG2 3.14Å; L262-I269 HydrophobicContact CD2-CG2 4.46Å; D264-I269 PolarHBondContact O-N 2.91Å; S267-I269 VanDerWaalsContact C-N 3.31Å; S267-I269 VanDerWaalsContact OG-CD1 3.31Å; S267-I269 WeakPolarHBondContact OG-CD1 3.18Å; S267-I269 VanDerWaalsContact OG-CG1 3.3Å; S267-I269 WeakPolarHBondContact OG-CG1 3.5Å; S267-I269 PolarHBondContact OG-N 2.95Å |
| 270 | N | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -90 | 105.6 | 167.7 | -175.8 | 4.6 | 0 | 0 | 0 | 109.1 | L262 R263 D264 K265 D302 P303 | L262-N270 WeakPolarHBondContact O-CB 3.28Å; R263-N270 WeakPolarHBondContact O-CB 3.25Å; R263-N270 PolarHBondContact O-ND2 3.33Å; D264-N270 PolarHBondContact O-N 2.88Å; K265-N270 WeakPolarHBondContact CE-ND2 3.49Å; K265-N270 HydrophobicContact CG-CB 3.85Å; N270-D302 PolarHBondContact ND2-OD1 3.02Å; N270-P303 WeakPolarHBondContact OD1-CD 3.35Å |
| 271 | M | 91.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | trans | -90 | 142.8 | -176 | -74.9 | -157.8 | -4.4 | 0 | 0 | 113.2 | S4 S5 D28 R238 G268 F275 M276 T277 | S4-M271 WeakPolarHBondContact OG-CE 3.48Å; S4-M271 PolarHBondContact OG-SD 2.89Å; S5-M271 VanDerWaalsContact O-SD 3.39Å; D28-M271 HydrophobicContact CB-CE 3.99Å; D28-M271 HydrophobicContact CB-SD 4.46Å; R238-M271 VanDerWaalsContact NH1-CG 3.34Å; R238-M271 PolarHBondContact NH1-SD 3.08Å; G268-M271 WeakPolarHBondContact O-CG 3.24Å; M271-F275 HydrophobicContact CE-CB 3.5Å; M271-F275 VanDerWaalsContact CE-CB 3.5Å; M271-M276 VanDerWaalsContact O-CA 3.24Å; M271-M276 WeakPolarHBondContact O-CA 3.49Å; M271-M276 WeakPolarHBondContact O-CB 3.04Å; M271-T277 PolarHBondContact N-OG1 3.11Å; M271-T277 PolarHBondContact O-N 3.2Å | ||
| 272 | E | 89.5 | Confident | 93.8 | Very high | 97 Ų | 97 | 33.3 Ų | 33.3 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | trans | -130.1 | 145.7 | 170.6 | -67 | -174.7 | 142.7 | 0 | 0 | 111.1 | K265 F275 R305 | K265-E272 WeakPolarHBondContact CE-OE1 3.12Å; K265-E272 VanDerWaalsContact NZ-CD 3.29Å; K265-E272 IonicContact NZ-OE1 3.29Å; K265-E272 PolarHBondContact NZ-OE1 2.74Å; K265-E272 IonicContact NZ-OE2 2.81Å; E272-F275 CarbonylContact C-O 3.6Å; E272-R305 IonicContact OE1-CZ 3.59Å; E272-R305 IonicContact OE1-NE 3.18Å; E272-R305 IonicContact OE1-NH2 3.54Å; E272-R305 PolarHBondContact OE1-NH2 2.76Å | ||
| 273 | G | 89.1 | Confident | 93.9 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 134.7 | -149.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C31 F275 | C31-G273 WeakPolarHBondContact CB-O 3.38Å; G273-F275 CarbonylContact C-O 3.55Å; G273-F275 PolarHBondContact N-O 3Å; G273-F275 PolarHBondContact O-N 2.87Å |
| 274 | M | 87.3 | Confident | 93.9 | Very high | 131 Ų | 131 | 32.1 Ų | 32.1 | 65% | 0.645 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -64.6 | -30.6 | 175.7 | -69.4 | -60.9 | -57.6 | 0 | 0 | 112.4 | M1 P30 C31 | M1-M274 HydrophobicContact SD-CG 4.22Å; P30-M274 WeakPolarHBondContact CA-O 3.41Å; C31-M274 PolarHBondContact N-O 2.88Å |
| 275 | F | 89.8 | Confident | 94 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.1 | 159.3 | -83.7 | -105.1 | 0 | 0 | 0 | 107.4 | P3 R29 P30 M143 M271 E272 G273 | P3-F275 HydrophobicContact CB-CD1 4.01Å; P3-F275 HydrophobicContact CB-CD2 4.16Å; P3-F275 HydrophobicContact CB-CE1 3.62Å; P3-F275 HydrophobicContact CB-CE2 3.78Å; P3-F275 HydrophobicContact CB-CG 4.27Å; P3-F275 HydrophobicContact CB-CZ 3.49Å; P3-F275 VanDerWaalsContact CB-CZ 3.49Å; P3-F275 HydrophobicContact CG-CE2 4.39Å; P3-F275 HydrophobicContact CG-CZ 4.08Å; R29-F275 VanDerWaalsContact O-CA 3.29Å; R29-F275 WeakPolarHBondContact O-CA 3.47Å; P30-F275 HydrophobicContact CG-CE1 3.91Å; P30-F275 HydrophobicContact CG-CE2 4.41Å; P30-F275 HydrophobicContact CG-CZ 3.79Å; M143-F275 HydrophobicContact CE-CE1 4.44Å; M143-F275 HydrophobicContact CE-CE2 4.34Å; M143-F275 HydrophobicContact CE-CZ 3.54Å; M271-F275 HydrophobicContact CE-CB 3.5Å; M271-F275 VanDerWaalsContact CE-CB 3.5Å; E272-F275 CarbonylContact C-O 3.6Å; G273-F275 CarbonylContact C-O 3.55Å; G273-F275 PolarHBondContact N-O 3Å; G273-F275 PolarHBondContact O-N 2.87Å |
| 276 | M | 93.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 163.2 | 177.1 | 75.5 | -172.5 | -49.2 | 0 | 0 | 110.5 | D28 R29 C31 M271 T278 P301 | D28-M276 WeakPolarHBondContact CA-O 3.15Å; R29-M276 PolarHBondContact N-O 2.8Å; R29-M276 PolarHBondContact O-N 3.34Å; C31-M276 HydrophobicContact CB-CB 4.47Å; C31-M276 HydrophobicContact CB-CG 3.9Å; C31-M276 HydrophobicContact CB-SD 3.53Å; C31-M276 VanDerWaalsContact CB-SD 3.53Å; M271-M276 VanDerWaalsContact O-CA 3.24Å; M271-M276 WeakPolarHBondContact O-CA 3.49Å; M271-M276 WeakPolarHBondContact O-CB 3.04Å; M276-T278 HydrophobicContact CG-CG2 3.96Å; M276-T278 PolarHBondContact O-N 2.83Å; M276-P301 HydrophobicContact CE-CB 4Å; M276-P301 HydrophobicContact SD-CB 4.04Å |
| 277 | T | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 105.7 | 168.2 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | N26 D28 M271 S280 P301 D302 P303 | N26-T277 HydrophobicContact CB-CG2 3.74Å; N26-T277 VanDerWaalsContact CG-CG2 3.46Å; D28-T277 WeakPolarHBondContact OD1-CA 3.41Å; D28-T277 VanDerWaalsContact OD1-CB 3.26Å; D28-T277 WeakPolarHBondContact OD1-CB 3.43Å; D28-T277 PolarHBondContact OD1-N 2.96Å; D28-T277 PolarHBondContact OD1-OG1 2.94Å; M271-T277 PolarHBondContact N-OG1 3.11Å; M271-T277 PolarHBondContact O-N 3.2Å; T277-S280 WeakPolarHBondContact CG2-OG 3.45Å; T277-P301 CarbonylContact O-C 3.57Å; T277-P301 VanDerWaalsContact O-CA 3.25Å; T277-P301 WeakPolarHBondContact O-CA 3.5Å; T277-D302 PolarHBondContact O-N 3.41Å; T277-P303 HydrophobicContact CG2-CG 4.19Å |
| 278 | T | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -19.1 | -175.7 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | S27 R29 Q35 M276 T300 | S27-T278 PolarHBondContact O-N 3.44Å; S27-T278 PolarHBondContact O-OG1 3.34Å; R29-T278 HydrophobicContact CB-CG2 3.81Å; R29-T278 WeakPolarHBondContact CB-OG1 3.48Å; R29-T278 WeakPolarHBondContact CG-OG1 3.23Å; Q35-T278 WeakPolarHBondContact CB-O 3.44Å; Q35-T278 WeakPolarHBondContact CG-OG1 3.35Å; M276-T278 HydrophobicContact CG-CG2 3.96Å; M276-T278 PolarHBondContact O-N 2.83Å; T278-T300 CarbonylContact O-C 3.58Å; T278-T300 VanDerWaalsContact O-C 3.31Å |
| 279 | G | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 153.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | S27 M80 T298 | S27-G279 PolarHBondContact N-O 3.08Å; M80-G279 WeakPolarHBondContact CE-O 3.3Å; G279-T298 WeakPolarHBondContact CA-OG1 3.27Å |
| 280 | S | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148 | 179.3 | -51.9 | 0 | 0 | 0 | 0 | 111 | K25 N26 T277 F297 T298 P303 | K25-S280 CarbonylContact O-C 3.56Å; K25-S280 VanDerWaalsContact O-CA 3.28Å; K25-S280 WeakPolarHBondContact O-CA 3.46Å; N26-S280 VanDerWaalsContact OD1-CB 3.26Å; N26-S280 WeakPolarHBondContact OD1-CB 3.43Å; N26-S280 PolarHBondContact OD1-OG 2.94Å; T277-S280 WeakPolarHBondContact CG2-OG 3.45Å; S280-F297 WeakPolarHBondContact O-CA 3.35Å; S280-T298 PolarHBondContact N-OG1 2.9Å; S280-T298 PolarHBondContact O-N 2.85Å; S280-P303 WeakPolarHBondContact OG-CB 3.37Å; S280-P303 WeakPolarHBondContact OG-CG 3.36Å |
| 281 | M | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.7 | 177.4 | 177.8 | -178.3 | 172.1 | 0 | 0 | 110.6 | F23 G24 K25 M80 A82 L262 S283 Y296 F297 | F23-M281 HydrophobicContact CE1-SD 4.5Å; G24-M281 CarbonylContact C-O 3.59Å; G24-M281 VanDerWaalsContact CA-O 3.26Å; G24-M281 WeakPolarHBondContact CA-O 3.35Å; K25-M281 PolarHBondContact N-O 2.71Å; K25-M281 PolarHBondContact O-N 2.74Å; M80-M281 HydrophobicContact CB-SD 3.85Å; M80-M281 HydrophobicContact CE-CB 4.15Å; M80-M281 HydrophobicContact CG-CB 4.05Å; M80-M281 HydrophobicContact CG-SD 4.01Å; M80-M281 HydrophobicContact SD-CB 3.34Å; M80-M281 WeakPolarHBondContact SD-CB 3.16Å; M80-M281 HydrophobicContact SD-CG 4.48Å; M80-M281 HydrophobicContact SD-SD 4.43Å; A82-M281 HydrophobicContact CB-CE 3.92Å; L262-M281 WeakPolarHBondContact CD1-O 3.32Å; M281-S283 WeakPolarHBondContact CE-OG 3.44Å; M281-Y296 CarbonylContact C-O 3.5Å; M281-Y296 VanDerWaalsContact CA-O 3.24Å; M281-Y296 WeakPolarHBondContact CA-O 3.32Å; M281-F297 HydrophobicContact CB-CD1 3.9Å; M281-F297 HydrophobicContact CB-CE1 3.92Å; M281-F297 HydrophobicContact CE-CE1 4.1Å; M281-F297 HydrophobicContact CE-CZ 3.83Å; M281-F297 HydrophobicContact CG-CD1 3.86Å; M281-F297 HydrophobicContact CG-CE1 3.47Å; M281-F297 VanDerWaalsContact CG-CE1 3.47Å; M281-F297 HydrophobicContact CG-CZ 3.95Å; M281-F297 HydrophobicContact SD-CD1 4.27Å; M281-F297 HydrophobicContact SD-CE1 3.34Å; M281-F297 WeakPolarHBondContact SD-CE1 3.27Å; M281-F297 HydrophobicContact SD-CZ 3.72Å |
| 282 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.3 | 163.1 | 174.6 | 0 | 0 | 0 | 0 | 108.6 | I22 F23 A255 M258 M259 L262 Y296 F308 | I22-V282 HydrophobicContact CG2-CG1 4.36Å; F23-V282 CarbonylContact O-C 3.45Å; F23-V282 WeakPolarHBondContact O-CA 3.25Å; A255-V282 HydrophobicContact CB-CG1 4.37Å; M258-V282 HydrophobicContact CB-CG1 4.16Å; M258-V282 HydrophobicContact CB-CG2 4.27Å; M258-V282 HydrophobicContact CG-CG1 4.2Å; M258-V282 HydrophobicContact CG-CG2 3.89Å; M259-V282 HydrophobicContact CE-CB 4.21Å; M259-V282 HydrophobicContact CE-CG1 4.4Å; M259-V282 HydrophobicContact CG-CB 4.26Å; M259-V282 HydrophobicContact CG-CG2 3.68Å; L262-V282 HydrophobicContact CD1-CG2 3.59Å; V282-Y296 PolarHBondContact N-O 3.02Å; V282-Y296 WeakPolarHBondContact O-CD2 3.27Å; V282-Y296 PolarHBondContact O-N 3Å; V282-F308 HydrophobicContact CG2-CD1 4.37Å; V282-F308 HydrophobicContact CG2-CE1 3.9Å; V282-F308 HydrophobicContact CG2-CZ 4.29Å |
| 283 | S | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.8 | 173 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | I22 F23 C88 M281 V294 H295 | I22-S283 CarbonylContact C-O 3.56Å; I22-S283 VanDerWaalsContact CA-O 3.27Å; I22-S283 WeakPolarHBondContact CA-O 3.19Å; F23-S283 PolarHBondContact N-O 3.11Å; F23-S283 PolarHBondContact O-N 3.18Å; C88-S283 VanDerWaalsContact SG-CB 3.6Å; M281-S283 WeakPolarHBondContact CE-OG 3.44Å; S283-V294 WeakPolarHBondContact CA-O 3.41Å; S283-H295 WeakPolarHBondContact CB-ND1 3.33Å; S283-H295 PolarHBondContact OG-ND1 2.6Å |
| 284 | V | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.9 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | R20 I21 A255 G293 V294 Y296 L390 | R20-V284 HydrophobicContact CB-CG1 4.21Å; R20-V284 HydrophobicContact CG-CG1 4.36Å; I21-V284 WeakPolarHBondContact O-CA 3.29Å; A255-V284 HydrophobicContact CB-CG2 3.56Å; V284-G293 CarbonylContact O-C 3.39Å; V284-G293 WeakPolarHBondContact O-CA 3.41Å; V284-V294 PolarHBondContact N-O 3.19Å; V284-V294 PolarHBondContact O-N 3.46Å; V284-Y296 HydrophobicContact CG2-CE2 4.09Å; V284-L390 HydrophobicContact CB-CD1 4.03Å; V284-L390 HydrophobicContact CB-CD2 4.15Å; V284-L390 HydrophobicContact CG1-CD1 3.75Å; V284-L390 HydrophobicContact CG1-CD2 3.94Å |
| 285 | V | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 105 | -171.6 | 174.4 | 0 | 0 | 0 | 0 | 109 | R20 I21 Q86 R160 | R20-V285 CarbonylContact C-O 3.51Å; R20-V285 WeakPolarHBondContact CA-O 3.49Å; I21-V285 HydrophobicContact CB-CB 4.34Å; I21-V285 PolarHBondContact N-O 3.46Å; I21-V285 PolarHBondContact O-N 3.47Å; Q86-V285 HydrophobicContact CB-CG1 3.68Å; Q86-V285 HydrophobicContact CB-CG2 4.14Å; Q86-V285 HydrophobicContact CG-CG1 4.33Å; R160-V285 HydrophobicContact CB-CG1 4.27Å; R160-V285 HydrophobicContact CG-CG1 3.36Å |
| 286 | P | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 141.5 | 175.5 | -24.7 | 35.3 | 0 | 0 | 0 | 112.2 | R160 N288 L291 P292 L390 | R160-P286 PolarHBondContact NH1-O 3.17Å; P286-N288 PolarHBondContact O-N 3.19Å; P286-L291 HydrophobicContact CB-CB 3.89Å; P286-L291 HydrophobicContact CB-CD1 4.17Å; P286-L291 HydrophobicContact CG-CB 3.9Å; P286-L291 HydrophobicContact CG-CD1 4.49Å; P286-P292 WeakPolarHBondContact CD-O 3.48Å; P286-P292 WeakPolarHBondContact CG-O 3.42Å; P286-L390 HydrophobicContact CG-CD2 3.75Å |
| 287 | T | 97.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 18 Ų | 18 | 33% | 0.331 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -65.3 | -28.9 | 171.8 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | P13 Q19 I21 S289 | P13-T287 HydrophobicContact CG-CG2 4.31Å; Q19-T287 HydrophobicContact CB-CG2 4.44Å; Q19-T287 WeakPolarHBondContact CB-OG1 3.36Å; Q19-T287 WeakPolarHBondContact O-CB 3.46Å; Q19-T287 WeakPolarHBondContact O-CG2 3.29Å; Q19-T287 PolarHBondContact O-N 3.49Å; Q19-T287 PolarHBondContact O-OG1 3.25Å; I21-T287 HydrophobicContact CD1-CG2 3.6Å; T287-S289 PolarHBondContact O-N 3.1Å |
| 288 | N | 96.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 18 Ų | 18 | 43% | 0.433 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -68.6 | 111.8 | 173.1 | -179 | -2.9 | 0 | 0 | 0 | 110 | R160 P286 A290 L291 | R160-N288 PolarHBondContact NH1-O 3.19Å; P286-N288 PolarHBondContact O-N 3.19Å; N288-A290 PolarHBondContact O-N 3.18Å; N288-A290 VanDerWaalsContact O-N 3.14Å; N288-A290 WeakPolarHBondContact OD1-CB 3.23Å; N288-A290 PolarHBondContact OD1-N 3.36Å; N288-L291 HydrophobicContact CB-CD1 4.05Å; N288-L291 HydrophobicContact CB-CG 4.32Å; N288-L291 PolarHBondContact O-N 2.91Å |
| 289 | S | 95.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 18 Ų | 18 | 71% | 0.706 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16 | -178.3 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | T287 L291 | T287-S289 PolarHBondContact O-N 3.1Å; S289-L291 VanDerWaalsContact C-N 3.28Å |
| 290 | A | 94.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 18 Ų | 18 | 67% | 0.669 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N288 | N288-A290 PolarHBondContact O-N 3.18Å; N288-A290 VanDerWaalsContact O-N 3.14Å; N288-A290 WeakPolarHBondContact OD1-CB 3.23Å; N288-A290 PolarHBondContact OD1-N 3.36Å |
| 291 | L | 96.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -100.5 | 138 | -179.1 | -62.8 | 173.1 | 0 | 0 | 0 | 110.1 | R160 P286 N288 S289 L390 | R160-L291 PolarHBondContact NH1-O 2.99Å; R160-L291 PolarHBondContact NH2-O 2.84Å; P286-L291 HydrophobicContact CB-CB 3.89Å; P286-L291 HydrophobicContact CB-CD1 4.17Å; P286-L291 HydrophobicContact CG-CB 3.9Å; P286-L291 HydrophobicContact CG-CD1 4.49Å; N288-L291 HydrophobicContact CB-CD1 4.05Å; N288-L291 HydrophobicContact CB-CG 4.32Å; N288-L291 PolarHBondContact O-N 2.91Å; S289-L291 VanDerWaalsContact C-N 3.28Å; L291-L390 WeakPolarHBondContact CD1-O 3.45Å |
| 292 | P | 96.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 14% | 0.143 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 160.4 | 174.6 | 36.9 | -41.5 | 0 | 0 | 0 | 110.5 | P286 V312 I389 V394 | P286-P292 WeakPolarHBondContact CD-O 3.48Å; P286-P292 WeakPolarHBondContact CG-O 3.42Å; P292-V312 HydrophobicContact CB-CG1 4.06Å; P292-I389 HydrophobicContact CB-CG2 4.47Å; P292-I389 HydrophobicContact CG-CG2 3.32Å; P292-V394 HydrophobicContact CB-CG2 4.32Å; P292-V394 HydrophobicContact CG-CG2 3.9Å |
| 293 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 165.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111.6 | V284 | V284-G293 CarbonylContact O-C 3.39Å; V284-G293 WeakPolarHBondContact O-CA 3.41Å |
| 294 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.5 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | S283 V284 Y296 P310 V312 M386 I389 L390 | S283-V294 WeakPolarHBondContact CA-O 3.41Å; V284-V294 PolarHBondContact N-O 3.19Å; V284-V294 PolarHBondContact O-N 3.46Å; V294-Y296 HydrophobicContact CB-CE2 4.13Å; V294-Y296 HydrophobicContact CG1-CD2 4.19Å; V294-Y296 HydrophobicContact CG1-CE1 4.06Å; V294-Y296 HydrophobicContact CG1-CE2 3.56Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.48Å; V294-P310 HydrophobicContact CG1-CB 3.99Å; V294-V312 HydrophobicContact CB-CG2 4.44Å; V294-V312 HydrophobicContact CG1-CG2 4.31Å; V294-V312 HydrophobicContact CG2-CG2 3.95Å; V294-M386 HydrophobicContact CG1-CB 3.98Å; V294-M386 HydrophobicContact CG1-CG 3.7Å; V294-M386 HydrophobicContact CG1-SD 3.81Å; V294-M386 HydrophobicContact CG2-CB 4.19Å; V294-M386 HydrophobicContact CG2-SD 4.27Å; V294-I389 HydrophobicContact CG2-CG2 4.37Å; V294-L390 HydrophobicContact CB-CD2 4.29Å; V294-L390 HydrophobicContact CB-CG 4.47Å; V294-L390 HydrophobicContact CG2-CD1 4.21Å; V294-L390 HydrophobicContact CG2-CD2 3.74Å; V294-L390 HydrophobicContact CG2-CG 3.71Å |
| 295 | H | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.4 | -175.6 | -49.8 | -75.9 | 0 | 0 | 0 | 109.3 | A82 Q86 S283 F297 P310 F311 F313 | A82-H295 WeakPolarHBondContact CB-CE1 3.23Å; A82-H295 VanDerWaalsContact CB-ND1 3.32Å; A82-H295 WeakPolarHBondContact CB-ND1 3.47Å; Q86-H295 PolarHBondContact OE1-NE2 2.95Å; S283-H295 WeakPolarHBondContact CB-ND1 3.33Å; S283-H295 PolarHBondContact OG-ND1 2.6Å; H295-F297 HydrophobicContact CB-CE2 3.65Å; H295-F297 HydrophobicContact CB-CZ 4.2Å; H295-P310 CarbonylContact O-C 3.48Å; H295-F311 PolarHBondContact N-O 2.73Å; H295-F311 WeakPolarHBondContact O-CA 3.47Å; H295-F311 WeakPolarHBondContact O-CB 2.96Å; H295-F311 PolarHBondContact O-N 2.71Å; H295-F313 AromaticContact CD2-CD2 3.9Å; H295-F313 AromaticContact CD2-CE2 3.69Å; H295-F313 AromaticContact NE2-CD2 3.74Å; H295-F313 AromaticContact NE2-CE2 3.57Å |
| 296 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.9 | -178.6 | -56.1 | -95.8 | 0 | 0 | 0 | 110.5 | M259 M281 V282 V284 V294 F308 K309 P310 M383 M386 | M259-Y296 HydrophobicContact CE-CD1 3.86Å; M259-Y296 HydrophobicContact CE-CD2 3.8Å; M259-Y296 HydrophobicContact CE-CE1 4.3Å; M259-Y296 HydrophobicContact CE-CE2 4.25Å; M259-Y296 HydrophobicContact CE-CG 3.59Å; M281-Y296 CarbonylContact C-O 3.5Å; M281-Y296 VanDerWaalsContact CA-O 3.24Å; M281-Y296 WeakPolarHBondContact CA-O 3.32Å; V282-Y296 PolarHBondContact N-O 3.02Å; V282-Y296 WeakPolarHBondContact O-CD2 3.27Å; V282-Y296 PolarHBondContact O-N 3Å; V284-Y296 HydrophobicContact CG2-CE2 4.09Å; V294-Y296 HydrophobicContact CB-CE2 4.13Å; V294-Y296 HydrophobicContact CG1-CD2 4.19Å; V294-Y296 HydrophobicContact CG1-CE1 4.06Å; V294-Y296 HydrophobicContact CG1-CE2 3.56Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.48Å; Y296-F308 HydrophobicContact CD1-CB 4.45Å; Y296-K309 VanDerWaalsContact CA-O 3.29Å; Y296-K309 WeakPolarHBondContact CA-O 3.3Å; Y296-P310 HydrophobicContact CD1-CB 3.79Å; Y296-P310 HydrophobicContact CE1-CB 3.7Å; Y296-P310 HydrophobicContact CE1-CG 4.46Å; Y296-M383 HydrophobicContact CE1-CG 3.88Å; Y296-M386 HydrophobicContact CE1-CG 4.09Å; Y296-M386 WeakPolarHBondContact OH-CB 3.1Å |
| 297 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.6 | 177.3 | -58.8 | -92.6 | 0 | 0 | 0 | 111.5 | V37 V68 S280 M281 H295 K309 F404 | V37-F297 HydrophobicContact CG1-CB 4Å; V37-F297 HydrophobicContact CG1-CD1 4.44Å; V37-F297 HydrophobicContact CG1-CD2 4.08Å; V37-F297 HydrophobicContact CG1-CG 3.93Å; V37-F297 HydrophobicContact CG2-CB 3.66Å; V37-F297 HydrophobicContact CG2-CD1 4.5Å; V37-F297 HydrophobicContact CG2-CG 4.24Å; V68-F297 HydrophobicContact CB-CE2 4.37Å; V68-F297 HydrophobicContact CB-CZ 4.48Å; V68-F297 HydrophobicContact CG1-CE2 3.74Å; V68-F297 HydrophobicContact CG1-CZ 3.78Å; V68-F297 HydrophobicContact CG2-CD2 4.32Å; V68-F297 HydrophobicContact CG2-CE2 3.68Å; V68-F297 HydrophobicContact CG2-CZ 4.02Å; S280-F297 WeakPolarHBondContact O-CA 3.35Å; M281-F297 HydrophobicContact CB-CD1 3.9Å; M281-F297 HydrophobicContact CB-CE1 3.92Å; M281-F297 HydrophobicContact CE-CE1 4.1Å; M281-F297 HydrophobicContact CE-CZ 3.83Å; M281-F297 HydrophobicContact CG-CD1 3.86Å; M281-F297 HydrophobicContact CG-CE1 3.47Å; M281-F297 VanDerWaalsContact CG-CE1 3.47Å; M281-F297 HydrophobicContact CG-CZ 3.95Å; M281-F297 HydrophobicContact SD-CD1 4.27Å; M281-F297 HydrophobicContact SD-CE1 3.34Å; M281-F297 WeakPolarHBondContact SD-CE1 3.27Å; M281-F297 HydrophobicContact SD-CZ 3.72Å; H295-F297 HydrophobicContact CB-CE2 3.65Å; H295-F297 HydrophobicContact CB-CZ 4.2Å; F297-K309 PolarHBondContact N-O 3.49Å; F297-K309 PolarHBondContact O-N 2.72Å; F297-F404 HydrophobicContact CB-CE2 4.06Å |
| 298 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -81 | -42 | 172.8 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | G279 S280 T300 P303 V307 F308 K309 | G279-T298 WeakPolarHBondContact CA-OG1 3.27Å; S280-T298 PolarHBondContact N-OG1 2.9Å; S280-T298 PolarHBondContact O-N 2.85Å; T298-T300 PolarHBondContact O-N 2.82Å; T298-T300 PolarHBondContact O-OG1 3.26Å; T298-T300 PolarHBondContact OG1-O 2.87Å; T298-P303 HydrophobicContact CG2-CB 4.41Å; T298-V307 WeakPolarHBondContact CA-O 3.31Å; T298-F308 HydrophobicContact CG2-CD1 4.03Å; T298-F308 HydrophobicContact CG2-CD2 4.4Å; T298-F308 HydrophobicContact CG2-CE1 3.88Å; T298-F308 HydrophobicContact CG2-CE2 4.25Å; T298-F308 HydrophobicContact CG2-CG 4.28Å; T298-F308 HydrophobicContact CG2-CZ 3.99Å; T298-K309 WeakPolarHBondContact O-CE 3.35Å; T298-K309 PolarHBondContact O-NZ 2.92Å | ||
| 299 | G | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 56.6 | 15.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V37 H348 | V37-G299 VanDerWaalsContact CG2-CA 3.5Å; G299-H348 PolarHBondContact O-CE1 3.06Å; G299-H348 VanDerWaalsContact O-CE1 3.24Å; G299-H348 PolarHBondContact O-NE2 3.28Å | ||
| 300 | T | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -151.9 | 152.6 | 179 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | T278 T298 S306 L350 H354 | T278-T300 CarbonylContact O-C 3.58Å; T278-T300 VanDerWaalsContact O-C 3.31Å; T298-T300 PolarHBondContact O-N 2.82Å; T298-T300 PolarHBondContact O-OG1 3.26Å; T298-T300 PolarHBondContact OG1-O 2.87Å; T300-S306 WeakPolarHBondContact CB-OG 3.13Å; T300-S306 PolarHBondContact O-OG 2.86Å; T300-S306 VanDerWaalsContact OG1-CB 3.3Å; T300-S306 WeakPolarHBondContact OG1-CB 3.34Å; T300-S306 PolarHBondContact OG1-OG 3.02Å; T300-L350 HydrophobicContact CG2-CD1 4.34Å; T300-L350 HydrophobicContact CG2-CD2 3.78Å; T300-L350 HydrophobicContact CG2-CG 3.61Å; T300-H354 HydrophobicContact CG2-CB 3.58Å |
| 301 | P | 96.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 9.1 Ų | 9.1 | 7% | 0.065 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -65.4 | 161.9 | 179.1 | -22.4 | 34.5 | 0 | 0 | 0 | 114.3 | M276 T277 S306 F351 H354 | M276-P301 HydrophobicContact CE-CB 4Å; M276-P301 HydrophobicContact SD-CB 4.04Å; T277-P301 CarbonylContact O-C 3.57Å; T277-P301 VanDerWaalsContact O-CA 3.25Å; T277-P301 WeakPolarHBondContact O-CA 3.5Å; P301-S306 PolarHBondContact O-OG 2.75Å; P301-F351 HydrophobicContact CG-CD2 4.41Å; P301-F351 HydrophobicContact CG-CE2 3.57Å; P301-F351 HydrophobicContact CG-CZ 4.07Å; P301-H354 PolarHBondContact O-NE2 2.88Å; P301-H354 VanDerWaalsContact O-NE2 3.12Å |
| 302 | D | 96.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.011 | 4% | 0.039 | C | C | . | . | trans | 51.5 | 98.1 | -180 | -170.9 | -8.6 | 0 | 0 | 0 | 113.2 | K265 N270 T277 E304 R305 S306 | K265-D302 IonicContact NZ-OD1 3.16Å; K265-D302 IonicContact NZ-OD2 3.66Å; K265-D302 PolarHBondContact NZ-OD2 3.02Å; N270-D302 PolarHBondContact ND2-OD1 3.02Å; T277-D302 PolarHBondContact O-N 3.41Å; D302-E304 PolarHBondContact O-N 2.8Å; D302-E304 WeakPolarHBondContact OD1-CA 3.35Å; D302-E304 WeakPolarHBondContact OD1-CB 3.18Å; D302-E304 PolarHBondContact OD1-N 3Å; D302-R305 HydrophobicContact CB-CB 4.32Å; D302-R305 HydrophobicContact CB-CG 4.26Å; D302-R305 CarbonylContact O-C 3.52Å; D302-R305 PolarHBondContact O-N 2.77Å; D302-R305 VanDerWaalsContact OD2-CD 3.32Å; D302-R305 WeakPolarHBondContact OD2-CD 3.37Å; D302-R305 WeakPolarHBondContact OD2-CG 3.29Å; D302-R305 IonicContact OD2-CZ 2.86Å; D302-R305 IonicContact OD2-NE 2.96Å; D302-R305 PolarHBondContact OD2-NE 3.02Å; D302-R305 IonicContact OD2-NH2 2.73Å; D302-S306 WeakPolarHBondContact O-CB 3.5Å; D302-S306 PolarHBondContact O-N 2.93Å; D302-S306 PolarHBondContact O-OG 2.64Å; D302-S306 VanDerWaalsContact O-OG 3.1Å | ||
| 303 | P | 96.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.8 | 177.4 | 23.2 | -33.5 | 0 | 0 | 0 | 113.9 | L262 R263 N270 T277 S280 T298 R305 F308 R376 | L262-P303 WeakPolarHBondContact O-CG 3.35Å; R263-P303 HydrophobicContact CG-CB 3.85Å; R263-P303 HydrophobicContact CG-CG 4.23Å; R263-P303 PolarHBondContact NE-O 2.84Å; R263-P303 PolarHBondContact NH2-O 2.9Å; N270-P303 WeakPolarHBondContact OD1-CD 3.35Å; T277-P303 HydrophobicContact CG2-CG 4.19Å; S280-P303 WeakPolarHBondContact OG-CB 3.37Å; S280-P303 WeakPolarHBondContact OG-CG 3.36Å; T298-P303 HydrophobicContact CG2-CB 4.41Å; P303-R305 VanDerWaalsContact C-N 3.3Å; P303-F308 HydrophobicContact CB-CE2 4.11Å; P303-F308 HydrophobicContact CB-CZ 4.12Å; P303-R376 PolarHBondContact O-NH2 3.2Å; P303-R376 VanDerWaalsContact O-NH2 3.1Å |
| 304 | E | 94.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 9.4 Ų | 9.4 | 41% | 0.411 | 5% | 0.045 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -29.7 | 173.7 | -169.4 | -179.2 | -135.2 | 0 | 0 | 111.7 | K265 D302 R376 | K265-E304 VanDerWaalsContact CE-OE2 3.25Å; K265-E304 WeakPolarHBondContact CE-OE2 3.47Å; K265-E304 IonicContact NZ-OE2 2.72Å; K265-E304 PolarHBondContact NZ-OE2 2.68Å; D302-E304 PolarHBondContact O-N 2.8Å; D302-E304 WeakPolarHBondContact OD1-CA 3.35Å; D302-E304 WeakPolarHBondContact OD1-CB 3.18Å; D302-E304 PolarHBondContact OD1-N 3Å; E304-R376 VanDerWaalsContact C-NH2 3.28Å; E304-R376 PolarHBondContact O-NH2 2.6Å |
| 305 | R | 94.1 | Very high | 97 | Very high | 30 Ų | 30 | 17.2 Ų | 17.2 | 11% | 0.113 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -7.1 | 179.7 | -56.2 | 175.9 | -157.9 | -166.3 | 0.6 | 113.3 | E272 D302 P303 H354 I361 E362 L375 | E272-R305 IonicContact OE1-CZ 3.59Å; E272-R305 IonicContact OE1-NE 3.18Å; E272-R305 IonicContact OE1-NH2 3.54Å; E272-R305 PolarHBondContact OE1-NH2 2.76Å; D302-R305 HydrophobicContact CB-CB 4.32Å; D302-R305 HydrophobicContact CB-CG 4.26Å; D302-R305 CarbonylContact O-C 3.52Å; D302-R305 PolarHBondContact O-N 2.77Å; D302-R305 VanDerWaalsContact OD2-CD 3.32Å; D302-R305 WeakPolarHBondContact OD2-CD 3.37Å; D302-R305 WeakPolarHBondContact OD2-CG 3.29Å; D302-R305 IonicContact OD2-CZ 2.86Å; D302-R305 IonicContact OD2-NE 2.96Å; D302-R305 PolarHBondContact OD2-NE 3.02Å; D302-R305 IonicContact OD2-NH2 2.73Å; P303-R305 VanDerWaalsContact C-N 3.3Å; R305-H354 PolarHBondContact O-CE1 3.37Å; R305-I361 HydrophobicContact CB-CD1 4.35Å; R305-I361 HydrophobicContact CG-CD1 4.46Å; R305-E362 IonicContact CZ-OE1 2.87Å; R305-E362 IonicContact NH1-OE1 3.17Å; R305-E362 PolarHBondContact NH1-OE1 2.99Å; R305-E362 IonicContact NH2-OE1 3.58Å; R305-E362 PolarHBondContact NH2-OE1 3.05Å; R305-L375 WeakPolarHBondContact O-CD1 3.38Å |
| 306 | S | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -105.9 | 165.4 | -176.5 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | T300 P301 D302 H354 R376 | T300-S306 WeakPolarHBondContact CB-OG 3.13Å; T300-S306 PolarHBondContact O-OG 2.86Å; T300-S306 VanDerWaalsContact OG1-CB 3.3Å; T300-S306 WeakPolarHBondContact OG1-CB 3.34Å; T300-S306 PolarHBondContact OG1-OG 3.02Å; P301-S306 PolarHBondContact O-OG 2.75Å; D302-S306 WeakPolarHBondContact O-CB 3.5Å; D302-S306 PolarHBondContact O-N 2.93Å; D302-S306 PolarHBondContact O-OG 2.64Å; D302-S306 VanDerWaalsContact O-OG 3.1Å; S306-H354 PolarHBondContact OG-CE1 2.65Å; S306-H354 VanDerWaalsContact OG-CE1 3.22Å; S306-R376 VanDerWaalsContact O-CZ 3.3Å; S306-R376 PolarHBondContact O-NH1 3.47Å; S306-R376 PolarHBondContact O-NH2 2.79Å |
| 307 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -108.6 | 130.5 | 174.7 | 178 | 0 | 0 | 0 | 0 | 110.3 | T298 K309 L375 L378 E379 E411 | T298-V307 WeakPolarHBondContact CA-O 3.31Å; V307-K309 HydrophobicContact CG1-CG 4.22Å; V307-K309 PolarHBondContact O-N 2.86Å; V307-K309 PolarHBondContact O-NZ 2.56Å; V307-L375 HydrophobicContact CG2-CB 3.69Å; V307-L375 HydrophobicContact CG2-CD2 3.68Å; V307-L375 HydrophobicContact CG2-CG 4.15Å; V307-L378 HydrophobicContact CG1-CD2 4.3Å; V307-L378 HydrophobicContact CG1-CG 4.33Å; V307-L378 HydrophobicContact CG2-CD2 4.38Å; V307-E379 HydrophobicContact CG1-CB 4.15Å; V307-E411 HydrophobicContact CG2-CG 4.39Å | ||
| 308 | F | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -74.8 | 100.7 | 169.3 | -80.9 | -79.5 | 0 | 0 | 0 | 110.4 | M259 L262 V282 Y296 T298 P303 E379 | M259-F308 HydrophobicContact CB-CD2 3.96Å; M259-F308 HydrophobicContact CB-CE2 3.77Å; M259-F308 HydrophobicContact CB-CZ 4.4Å; M259-F308 HydrophobicContact CE-CB 3.62Å; M259-F308 HydrophobicContact CE-CD1 4.31Å; M259-F308 HydrophobicContact CE-CD2 4.32Å; M259-F308 HydrophobicContact CE-CG 3.85Å; M259-F308 HydrophobicContact CG-CD1 4.3Å; M259-F308 HydrophobicContact CG-CD2 3.54Å; M259-F308 HydrophobicContact CG-CE1 4.39Å; M259-F308 HydrophobicContact CG-CE2 3.68Å; M259-F308 HydrophobicContact CG-CG 3.9Å; M259-F308 HydrophobicContact CG-CZ 4.11Å; M259-F308 HydrophobicContact SD-CB 3.77Å; M259-F308 HydrophobicContact SD-CD2 3.58Å; M259-F308 VanDerWaalsContact SD-CD2 3.58Å; M259-F308 HydrophobicContact SD-CE2 4.33Å; M259-F308 HydrophobicContact SD-CG 3.73Å; L262-F308 HydrophobicContact CB-CZ 4.46Å; L262-F308 HydrophobicContact CD1-CE1 4.36Å; L262-F308 HydrophobicContact CD1-CZ 4.09Å; V282-F308 HydrophobicContact CG2-CD1 4.37Å; V282-F308 HydrophobicContact CG2-CE1 3.9Å; V282-F308 HydrophobicContact CG2-CZ 4.29Å; Y296-F308 HydrophobicContact CD1-CB 4.45Å; T298-F308 HydrophobicContact CG2-CD1 4.03Å; T298-F308 HydrophobicContact CG2-CD2 4.4Å; T298-F308 HydrophobicContact CG2-CE1 3.88Å; T298-F308 HydrophobicContact CG2-CE2 4.25Å; T298-F308 HydrophobicContact CG2-CG 4.28Å; T298-F308 HydrophobicContact CG2-CZ 3.99Å; P303-F308 HydrophobicContact CB-CE2 4.11Å; P303-F308 HydrophobicContact CB-CZ 4.12Å; F308-E379 HydrophobicContact CB-CG 4.43Å; F308-E379 WeakPolarHBondContact CB-OE2 3.35Å; F308-E379 WeakPolarHBondContact CD2-OE2 3.4Å; F308-E379 PolarHBondContact N-OE2 2.9Å | ||
| 309 | K | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.3 | -176.5 | -67.8 | 160.2 | -82.1 | -77.9 | 0 | 110.4 | Y296 F297 T298 V307 F404 C407 V408 E411 | Y296-K309 VanDerWaalsContact CA-O 3.29Å; Y296-K309 WeakPolarHBondContact CA-O 3.3Å; F297-K309 PolarHBondContact N-O 3.49Å; F297-K309 PolarHBondContact O-N 2.72Å; T298-K309 WeakPolarHBondContact O-CE 3.35Å; T298-K309 PolarHBondContact O-NZ 2.92Å; V307-K309 HydrophobicContact CG1-CG 4.22Å; V307-K309 PolarHBondContact O-N 2.86Å; V307-K309 PolarHBondContact O-NZ 2.56Å; K309-F404 HydrophobicContact CB-CD2 3.79Å; K309-F404 HydrophobicContact CB-CE2 3.53Å; K309-F404 HydrophobicContact CB-CZ 4.2Å; K309-F404 HydrophobicContact CD-CE2 4.39Å; K309-F404 HydrophobicContact CD-CZ 4.22Å; K309-C407 HydrophobicContact CB-CB 4.2Å; K309-C407 HydrophobicContact CG-CB 4.04Å; K309-V408 HydrophobicContact CD-CB 4.38Å; K309-V408 HydrophobicContact CD-CG2 3.48Å; K309-V408 VanDerWaalsContact CD-CG2 3.48Å; K309-E411 IonicContact NZ-OE1 3.26Å; K309-E411 IonicContact NZ-OE2 2.68Å; K309-E411 PolarHBondContact NZ-OE2 3.28Å |
| 310 | P | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.4 | -175.1 | 30.5 | -34.3 | 0 | 0 | 0 | 112.9 | V294 H295 Y296 A382 M386 L403 F404 | V294-P310 HydrophobicContact CG1-CB 3.99Å; H295-P310 CarbonylContact O-C 3.48Å; Y296-P310 HydrophobicContact CD1-CB 3.79Å; Y296-P310 HydrophobicContact CE1-CB 3.7Å; Y296-P310 HydrophobicContact CE1-CG 4.46Å; P310-A382 HydrophobicContact CG-CB 4.18Å; P310-M386 HydrophobicContact CB-CG 3.63Å; P310-M386 HydrophobicContact CB-SD 3.68Å; P310-M386 HydrophobicContact CG-CG 4.03Å; P310-M386 HydrophobicContact CG-SD 4.11Å; P310-L403 HydrophobicContact CB-CD2 4.04Å; P310-L403 HydrophobicContact CB-CG 4.48Å; P310-L403 HydrophobicContact CG-CD1 4.1Å; P310-L403 HydrophobicContact CG-CD2 4.06Å; P310-L403 HydrophobicContact CG-CG 4Å; P310-F404 WeakPolarHBondContact O-CA 3.45Å |
| 311 | F | 98.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.4 | 170.7 | 179.8 | -87.2 | 0 | 0 | 0 | 108.8 | H39 V68 H295 F313 A317 L320 F404 | H39-F311 HydrophobicContact CB-CE2 4.2Å; H39-F311 HydrophobicContact CB-CZ 4.3Å; H39-F311 AromaticContact CD2-CZ 3.71Å; H39-F311 AromaticContact CG-CZ 3.98Å; V68-F311 HydrophobicContact CB-CD1 3.92Å; V68-F311 HydrophobicContact CB-CE1 3.82Å; V68-F311 HydrophobicContact CB-CG 4.4Å; V68-F311 HydrophobicContact CB-CZ 4.2Å; V68-F311 HydrophobicContact CG1-CD1 3.68Å; V68-F311 HydrophobicContact CG1-CE1 3.87Å; V68-F311 HydrophobicContact CG1-CG 4.41Å; V68-F311 HydrophobicContact CG2-CD1 4.14Å; V68-F311 HydrophobicContact CG2-CD2 4.31Å; V68-F311 HydrophobicContact CG2-CE1 4.37Å; V68-F311 HydrophobicContact CG2-CG 4.11Å; H295-F311 PolarHBondContact N-O 2.73Å; H295-F311 WeakPolarHBondContact O-CA 3.47Å; H295-F311 WeakPolarHBondContact O-CB 2.96Å; H295-F311 PolarHBondContact O-N 2.71Å; F311-F313 HydrophobicContact CD1-CE2 4.49Å; F311-F313 AromaticContact CE1-CD1 3.83Å; F311-F313 HydrophobicContact CE1-CD1 3.83Å; F311-F313 HydrophobicContact CE1-CD2 4.05Å; F311-F313 AromaticContact CE1-CE1 3.82Å; F311-F313 HydrophobicContact CE1-CE1 3.82Å; F311-F313 HydrophobicContact CE1-CE2 4.04Å; F311-F313 AromaticContact CE1-CG 3.95Å; F311-F313 HydrophobicContact CE1-CG 3.95Å; F311-F313 AromaticContact CE1-CZ 3.93Å; F311-F313 HydrophobicContact CE1-CZ 3.93Å; F311-F313 HydrophobicContact CZ-CD1 4.34Å; F311-F313 HydrophobicContact CZ-CE1 4.38Å; F311-A317 HydrophobicContact CZ-CB 4.4Å; F311-L320 HydrophobicContact CD2-CD1 4.45Å; F311-F404 HydrophobicContact CB-CD2 4.32Å; F311-F404 HydrophobicContact CD2-CB 4.28Å |
| 312 | V | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | trans | -133.3 | 134.9 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | P292 V294 V314 M386 I389 V394 L403 | P292-V312 HydrophobicContact CB-CG1 4.06Å; V294-V312 HydrophobicContact CB-CG2 4.44Å; V294-V312 HydrophobicContact CG1-CG2 4.31Å; V294-V312 HydrophobicContact CG2-CG2 3.95Å; V312-V314 HydrophobicContact CG1-CG1 4.25Å; V312-V314 PolarHBondContact O-N 2.96Å; V312-V314 VanDerWaalsContact O-N 3.1Å; V312-M386 HydrophobicContact CG2-SD 4.15Å; V312-I389 HydrophobicContact CG2-CD1 4.19Å; V312-V394 HydrophobicContact CG1-CG2 4.14Å; V312-L403 HydrophobicContact CG2-CD2 4.04Å | ||
| 313 | F | 97.2 | Very high | 95.2 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | trans | -67.9 | 110 | 173.8 | -71.8 | -82.9 | 0 | 0 | 0 | 110.1 | A66 V68 A82 N83 E84 H295 F311 | A66-F313 HydrophobicContact CB-CD1 4.37Å; A66-F313 HydrophobicContact CB-CE1 4.22Å; V68-F313 HydrophobicContact CB-CZ 4.26Å; V68-F313 HydrophobicContact CG1-CE2 4.08Å; V68-F313 HydrophobicContact CG1-CZ 3.75Å; A82-F313 HydrophobicContact CB-CE2 4.29Å; A82-F313 WeakPolarHBondContact O-CZ 3.19Å; N83-F313 WeakPolarHBondContact O-CE2 3.49Å; E84-F313 HydrophobicContact CB-CB 4.47Å; E84-F313 HydrophobicContact CB-CD1 3.93Å; E84-F313 HydrophobicContact CB-CE1 4.35Å; E84-F313 HydrophobicContact CB-CG 4.15Å; H295-F313 AromaticContact CD2-CD2 3.9Å; H295-F313 AromaticContact CD2-CE2 3.69Å; H295-F313 AromaticContact NE2-CD2 3.74Å; H295-F313 AromaticContact NE2-CE2 3.57Å; F311-F313 HydrophobicContact CD1-CE2 4.49Å; F311-F313 AromaticContact CE1-CD1 3.83Å; F311-F313 HydrophobicContact CE1-CD1 3.83Å; F311-F313 HydrophobicContact CE1-CD2 4.05Å; F311-F313 AromaticContact CE1-CE1 3.82Å; F311-F313 HydrophobicContact CE1-CE1 3.82Å; F311-F313 HydrophobicContact CE1-CE2 4.04Å; F311-F313 AromaticContact CE1-CG 3.95Å; F311-F313 HydrophobicContact CE1-CG 3.95Å; F311-F313 AromaticContact CE1-CZ 3.93Å; F311-F313 HydrophobicContact CE1-CZ 3.93Å; F311-F313 HydrophobicContact CZ-CD1 4.34Å; F311-F313 HydrophobicContact CZ-CE1 4.38Å | ||
| 314 | V | 95.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 46 Ų | 46 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | trans | -129.4 | 156 | 173.1 | -66.2 | 0 | 0 | 0 | 0 | 110 | V312 N316 A317 V394 P397 V401 | V312-V314 HydrophobicContact CG1-CG1 4.25Å; V312-V314 PolarHBondContact O-N 2.96Å; V312-V314 VanDerWaalsContact O-N 3.1Å; V314-N316 PolarHBondContact O-N 2.94Å; V314-A317 HydrophobicContact CG2-CB 4.36Å; V314-A317 WeakPolarHBondContact O-CB 3.34Å; V314-A317 PolarHBondContact O-N 3.04Å; V314-V394 HydrophobicContact CG1-CG1 4.18Å; V314-V394 HydrophobicContact CG1-CG2 4.41Å; V314-P397 HydrophobicContact CB-CB 4.2Å; V314-P397 HydrophobicContact CG1-CB 4.3Å; V314-V401 HydrophobicContact CG2-CG1 4.02Å | ||
| 315 | K | 90.3 | Very high | 95.3 | Very high | 164 Ų | 164 | 42.6 Ų | 42.6 | 71% | 0.713 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 137.5 | 175.1 | -167.6 | -179.7 | 179.9 | 178.6 | 0 | 109.6 | A317 | K315-A317 VanDerWaalsContact C-N 3.27Å; K315-A317 PolarHBondContact O-N 2.95Å |
| 316 | N | 89.1 | Confident | 95.4 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 60% | 0.599 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 23.6 | -179.9 | -43.5 | -49.2 | 0 | 0 | 0 | 115.1 | V314 R318 | V314-N316 PolarHBondContact O-N 2.94Å; N316-R318 PolarHBondContact O-N 3.38Å |
| 317 | A | 90.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 130.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F311 V314 K315 | F311-A317 HydrophobicContact CZ-CB 4.4Å; V314-A317 HydrophobicContact CG2-CB 4.36Å; V314-A317 WeakPolarHBondContact O-CB 3.34Å; V314-A317 PolarHBondContact O-N 3.04Å; K315-A317 VanDerWaalsContact C-N 3.27Å; K315-A317 PolarHBondContact O-N 2.95Å |
| 318 | R | 89.1 | Confident | 95.1 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 58% | 0.577 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 167.2 | -172.2 | -62.8 | -163.8 | -177.7 | 165.3 | -5.3 | 112.2 | N316 V401 N402 | N316-R318 PolarHBondContact O-N 3.38Å; R318-V401 PolarHBondContact N-O 3.47Å; R318-N402 VanDerWaalsContact CD-OD1 3.27Å; R318-N402 WeakPolarHBondContact CD-OD1 2.91Å; R318-N402 PolarHBondContact NH1-OD1 2.96Å |
| 319 | E | 91.4 | Very high | 94.9 | Very high | 123 Ų | 123 | 54.4 Ų | 54.4 | 58% | 0.575 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -65 | 136.9 | 170.2 | -174.8 | -179.3 | -149.5 | 0 | 0 | 110.8 | K321 | E319-K321 HydrophobicContact CB-CG 4.45Å; E319-K321 HydrophobicContact CG-CG 4.14Å; E319-K321 PolarHBondContact O-N 3.06Å; E319-K321 WeakPolarHBondContact OE2-CE 3.26Å |
| 320 | L | 96.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | trans | -91 | 73.1 | -175.6 | -52.5 | -177.6 | 0 | 0 | 0 | 110.6 | V37 H39 V68 F311 E322 T323 S324 F404 | V37-L320 HydrophobicContact CG1-CD1 3.93Å; H39-L320 HydrophobicContact CB-CD1 4.17Å; H39-L320 HydrophobicContact CB-CG 4.19Å; V68-L320 HydrophobicContact CG2-CD1 4.45Å; F311-L320 HydrophobicContact CD2-CD1 4.45Å; L320-E322 PolarHBondContact O-N 2.79Å; L320-T323 PolarHBondContact O-N 2.64Å; L320-T323 PolarHBondContact O-OG1 3.43Å; L320-S324 PolarHBondContact O-N 2.66Å; L320-S324 PolarHBondContact O-OG 2.94Å; L320-F404 HydrophobicContact CB-CD1 4.42Å; L320-F404 HydrophobicContact CD1-CD1 3.95Å; L320-F404 HydrophobicContact CD1-CE1 4.25Å; L320-F404 HydrophobicContact CD1-CG 4.29Å; L320-F404 HydrophobicContact CD2-CB 4.06Å; L320-F404 HydrophobicContact CD2-CD1 3.92Å; L320-F404 HydrophobicContact CD2-CG 4.27Å; L320-F404 HydrophobicContact CG-CD1 4.31Å | ||
| 321 | K | 94.8 | Very high | 94.5 | Very high | 138 Ų | 138 | 65.2 Ų | 65.2 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -66.3 | -33.7 | -167.1 | -64.8 | -176.2 | 179.3 | -175.6 | 0 | 114 | E319 T323 S324 | E319-K321 HydrophobicContact CB-CG 4.45Å; E319-K321 HydrophobicContact CG-CG 4.14Å; E319-K321 PolarHBondContact O-N 3.06Å; E319-K321 WeakPolarHBondContact OE2-CE 3.26Å; K321-T323 PolarHBondContact O-N 3.17Å; K321-S324 PolarHBondContact O-N 2.71Å |
| 322 | E | 96.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -69 | -19.3 | -177.3 | -62.9 | 85.3 | 174 | 0 | 0 | 113.8 | L320 H348 P349 L350 S405 V408 Q409 | L320-E322 PolarHBondContact O-N 2.79Å; E322-H348 PolarHBondContact O-ND1 2.75Å; E322-P349 WeakPolarHBondContact O-CD 3.45Å; E322-L350 WeakPolarHBondContact O-CB 3.06Å; E322-L350 PolarHBondContact O-N 3.14Å; E322-L350 VanDerWaalsContact O-N 3.11Å; E322-S405 PolarHBondContact OE2-OG 2.98Å; E322-V408 HydrophobicContact CB-CB 4.37Å; E322-V408 HydrophobicContact CB-CG1 3.57Å; E322-V408 HydrophobicContact CG-CG1 4.02Å; E322-Q409 PolarHBondContact OE1-NE2 3.07Å |
| 323 | T | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -115.8 | 13.4 | 179.6 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | E36 V37 L320 K321 L350 F404 V408 | E36-T323 WeakPolarHBondContact CA-O 3.4Å; E36-T323 VanDerWaalsContact CB-O 3.3Å; E36-T323 WeakPolarHBondContact CB-O 3.28Å; V37-T323 PolarHBondContact N-O 2.81Å; V37-T323 WeakPolarHBondContact O-CB 3.32Å; V37-T323 PolarHBondContact O-OG1 3.2Å; L320-T323 PolarHBondContact O-N 2.64Å; L320-T323 PolarHBondContact O-OG1 3.43Å; K321-T323 PolarHBondContact O-N 3.17Å; T323-L350 HydrophobicContact CG2-CB 4.41Å; T323-L350 HydrophobicContact CG2-CD2 3.8Å; T323-F404 HydrophobicContact CG2-CE1 3.84Å; T323-F404 HydrophobicContact CG2-CZ 4.24Å; T323-V408 HydrophobicContact CG2-CG2 4.34Å |
| 324 | S | 96.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 128.1 | 174.9 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | L320 K321 H348 | L320-S324 PolarHBondContact O-N 2.66Å; L320-S324 PolarHBondContact O-OG 2.94Å; K321-S324 PolarHBondContact O-N 2.71Å; S324-H348 VanDerWaalsContact O-CB 3.27Å; S324-H348 WeakPolarHBondContact O-CB 3.45Å |
| 325 | S | 96.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 12% | 0.119 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 159.8 | 178.1 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | E36 A73 R346 | E36-S325 WeakPolarHBondContact CG-OG 3.42Å; E36-S325 WeakPolarHBondContact OE1-CA 3.43Å; E36-S325 WeakPolarHBondContact OE1-CB 3.09Å; E36-S325 PolarHBondContact OE1-N 3.45Å; A73-S325 WeakPolarHBondContact CB-OG 3.48Å; S325-R346 WeakPolarHBondContact CB-O 3.24Å; S325-R346 PolarHBondContact OG-O 3.3Å |
| 326 | P | 95.6 | Very high | 94.5 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 140.3 | 173 | -22.8 | 33.7 | 0 | 0 | 0 | 112.3 | F328 | P326-F328 HydrophobicContact CB-CE2 4.32Å; P326-F328 HydrophobicContact CB-CZ 4.06Å; P326-F328 VanDerWaalsContact O-CE2 3.31Å; P326-F328 WeakPolarHBondContact O-CE2 2.99Å |
| 327 | S | 93.5 | Very high | 94.7 | Very high | 115 Ų | 115 | 64.6 Ų | 64.6 | 80% | 0.804 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 133.5 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 111 | G329 | S327-G329 PolarHBondContact OG-N 2.64Š|
| 328 | F | 95.1 | Very high | 94.8 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | trans | -103.6 | -1.5 | 176 | -56.6 | -82.7 | 0 | 0 | 0 | 112.8 | P326 D331 D332 P344 R346 | P326-F328 HydrophobicContact CB-CE2 4.32Å; P326-F328 HydrophobicContact CB-CZ 4.06Å; P326-F328 VanDerWaalsContact O-CE2 3.31Å; P326-F328 WeakPolarHBondContact O-CE2 2.99Å; F328-D331 WeakPolarHBondContact O-CA 3.36Å; F328-D331 WeakPolarHBondContact O-CB 3.4Å; F328-D331 PolarHBondContact O-N 3.14Å; F328-D332 HydrophobicContact CB-CB 3.87Å; F328-D332 PolarHBondContact O-N 3.03Å; F328-P344 HydrophobicContact CD1-CB 4.18Å; F328-P344 HydrophobicContact CD2-CB 4.42Å; F328-P344 HydrophobicContact CD2-CG 4.03Å; F328-P344 HydrophobicContact CE1-CB 3.64Å; F328-P344 HydrophobicContact CE1-CG 4.29Å; F328-P344 HydrophobicContact CE2-CB 3.93Å; F328-P344 HydrophobicContact CE2-CG 3.8Å; F328-P344 HydrophobicContact CG-CG 4.4Å; F328-P344 HydrophobicContact CZ-CB 3.52Å; F328-P344 HydrophobicContact CZ-CG 3.95Å; F328-R346 HydrophobicContact CE2-CG 4.17Å | ||
| 329 | G | 94 | Very high | 95 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | 52.3 | -137.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S327 D331 D332 | S327-G329 PolarHBondContact OG-N 2.64Å; G329-D331 PolarHBondContact O-N 2.77Å; G329-D331 VanDerWaalsContact O-N 3.13Å; G329-D332 WeakPolarHBondContact O-CB 3.41Å; G329-D332 PolarHBondContact O-N 2.88Å; G329-D332 VanDerWaalsContact O-N 3.17Å |
| 330 | P | 93.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 76% | 0.76 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -61.5 | -17.3 | 176 | -22.5 | 34 | 0 | 0 | 0 | 114.4 | D332 | P330-D332 VanDerWaalsContact C-N 3.32Š|
| 331 | D | 95.2 | Very high | 95.1 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -83.4 | -8.5 | 179.6 | -79.7 | -51.5 | 0 | 0 | 0 | 114 | F328 G329 K336 | F328-D331 WeakPolarHBondContact O-CA 3.36Å; F328-D331 WeakPolarHBondContact O-CB 3.4Å; F328-D331 PolarHBondContact O-N 3.14Å; G329-D331 PolarHBondContact O-N 2.77Å; G329-D331 VanDerWaalsContact O-N 3.13Å; D331-K336 VanDerWaalsContact CA-NZ 3.3Å; D331-K336 WeakPolarHBondContact O-CE 3.14Å; D331-K336 PolarHBondContact O-NZ 3.38Å; D331-K336 WeakPolarHBondContact OD1-CE 3.19Å; D331-K336 IonicContact OD1-NZ 2.75Å; D331-K336 PolarHBondContact OD1-NZ 2.9Å |
| 332 | D | 96.7 | Very high | 95 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -58.7 | 132.5 | 178.9 | -161.2 | -58.1 | 0 | 0 | 0 | 111.1 | F328 G329 P330 V334 K335 K336 R346 | F328-D332 HydrophobicContact CB-CB 3.87Å; F328-D332 PolarHBondContact O-N 3.03Å; G329-D332 WeakPolarHBondContact O-CB 3.41Å; G329-D332 PolarHBondContact O-N 2.88Å; G329-D332 VanDerWaalsContact O-N 3.17Å; P330-D332 VanDerWaalsContact C-N 3.32Å; D332-V334 HydrophobicContact CB-CG1 4.22Å; D332-V334 PolarHBondContact O-N 3.41Å; D332-V334 VanDerWaalsContact O-N 3.14Å; D332-V334 VanDerWaalsContact OD1-CG1 3.29Å; D332-V334 WeakPolarHBondContact OD1-CG1 3.38Å; D332-V334 PolarHBondContact OD1-N 3.07Å; D332-K335 HydrophobicContact CB-CG 4.2Å; D332-K335 WeakPolarHBondContact O-CA 3.28Å; D332-K335 WeakPolarHBondContact O-CB 3.17Å; D332-K335 PolarHBondContact O-N 3.01Å; D332-K336 PolarHBondContact O-N 3.33Å; D332-R346 VanDerWaalsContact CG-NH2 3.32Å; D332-R346 IonicContact OD1-CZ 3.54Å; D332-R346 IonicContact OD1-NH1 2.77Å; D332-R346 IonicContact OD1-NH2 3.17Å; D332-R346 PolarHBondContact OD1-NH2 3.3Å; D332-R346 IonicContact OD2-CZ 3.73Å; D332-R346 IonicContact OD2-NH1 2.84Å; D332-R346 PolarHBondContact OD2-NH1 2.91Å; D332-R346 IonicContact OD2-NH2 2.94Å; D332-R346 PolarHBondContact OD2-NH2 2.76Å; D332-R346 VanDerWaalsContact OD2-NH2 3.14Å |
| 333 | P | 96.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28 | 177.6 | -23.8 | 30.4 | 0 | 0 | 0 | 114.7 | K335 K336 F340 S342 P344 | P333-K335 PolarHBondContact O-N 3.4Å; P333-K336 PolarHBondContact O-N 2.73Å; P333-F340 HydrophobicContact CB-CD1 4.21Å; P333-F340 PolarHBondContact O-N 2.91Å; P333-S342 VanDerWaalsContact CB-O 3.29Å; P333-S342 WeakPolarHBondContact CB-O 3.44Å; P333-S342 WeakPolarHBondContact CG-O 3.13Å; P333-P344 HydrophobicContact CG-CG 4.25Å |
| 334 | V | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.6 | 174.4 | 80 | 0 | 0 | 0 | 0 | 112.2 | T54 Y55 W74 D332 R339 F340 | T54-V334 HydrophobicContact CG2-CG2 3.84Å; Y55-V334 HydrophobicContact CD1-CG2 4.38Å; Y55-V334 HydrophobicContact CE1-CG2 3.87Å; W74-V334 HydrophobicContact CE3-CB 4.34Å; W74-V334 HydrophobicContact CE3-CG2 3.78Å; W74-V334 HydrophobicContact CZ3-CG2 3.85Å; D332-V334 HydrophobicContact CB-CG1 4.22Å; D332-V334 PolarHBondContact O-N 3.41Å; D332-V334 VanDerWaalsContact O-N 3.14Å; D332-V334 VanDerWaalsContact OD1-CG1 3.29Å; D332-V334 WeakPolarHBondContact OD1-CG1 3.38Å; D332-V334 PolarHBondContact OD1-N 3.07Å; V334-R339 WeakPolarHBondContact O-CD 3.29Å; V334-R339 PolarHBondContact O-NE 3.06Å; V334-R339 VanDerWaalsContact O-NE 3.16Å; V334-R339 PolarHBondContact O-NH1 3.03Å; V334-F340 HydrophobicContact CB-CE1 4.01Å; V334-F340 HydrophobicContact CB-CZ 4.45Å; V334-F340 HydrophobicContact CG2-CE1 4.09Å; V334-F340 HydrophobicContact CG2-CZ 4.04Å |
| 335 | K | 95.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 27% | 0.27 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -16.1 | -180 | -58.9 | -55.6 | -176.9 | -176 | 0 | 113.8 | E52 C53 D332 P333 R339 | E52-K335 VanDerWaalsContact OE1-CD 3.31Å; E52-K335 WeakPolarHBondContact OE1-CD 3.16Å; E52-K335 VanDerWaalsContact OE1-CE 3.24Å; E52-K335 WeakPolarHBondContact OE1-CE 3.16Å; E52-K335 IonicContact OE1-NZ 3.7Å; E52-K335 PolarHBondContact OE1-NZ 2.73Å; C53-K335 PolarHBondContact O-NZ 3.25Å; D332-K335 HydrophobicContact CB-CG 4.2Å; D332-K335 WeakPolarHBondContact O-CA 3.28Å; D332-K335 WeakPolarHBondContact O-CB 3.17Å; D332-K335 PolarHBondContact O-N 3.01Å; P333-K335 PolarHBondContact O-N 3.4Å; K335-R339 PolarHBondContact O-NH1 2.86Å |
| 336 | K | 94.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -89.4 | 146.1 | 176.6 | -67.9 | 174.1 | 173.2 | 159.3 | 0 | 112.2 | D331 D332 P333 P338 R339 | D331-K336 VanDerWaalsContact CA-NZ 3.3Å; D331-K336 WeakPolarHBondContact O-CE 3.14Å; D331-K336 PolarHBondContact O-NZ 3.38Å; D331-K336 WeakPolarHBondContact OD1-CE 3.19Å; D331-K336 IonicContact OD1-NZ 2.75Å; D331-K336 PolarHBondContact OD1-NZ 2.9Å; D332-K336 PolarHBondContact O-N 3.33Å; P333-K336 PolarHBondContact O-N 2.73Å; K336-P338 CarbonylContact C-O 3.41Å; K336-P338 CarbonylContact O-C 3.58Å; K336-R339 VanDerWaalsContact O-CA 3.31Å; K336-R339 WeakPolarHBondContact O-CA 3.22Å; K336-R339 VanDerWaalsContact O-CD 3.31Å; K336-R339 WeakPolarHBondContact O-CD 3.34Å; K336-R339 PolarHBondContact O-N 2.93Å; K336-R339 PolarHBondContact O-NH1 2.91Å |
| 337 | K | 92.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 67 Ų | 67 | 66% | 0.661 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -116.8 | 130.2 | 172.2 | -69.6 | -166.1 | 174 | -163.5 | 0 | 109.4 | E104 | E104-K337 WeakPolarHBondContact OE2-CE 3.45Å; E104-K337 IonicContact OE2-NZ 2.79Å; E104-K337 PolarHBondContact OE2-NZ 3.3Å |
| 338 | P | 92.6 | Very high | 95 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 60% | 0.597 | 32% | 0.324 | S | S | * | . | S | Bend | cis | -61 | 150.3 | -7 | 27 | -33.5 | 0 | 0 | 0 | 112.2 | K336 Q341 | K336-P338 CarbonylContact C-O 3.41Å; K336-P338 CarbonylContact O-C 3.58Å; P338-Q341 HydrophobicContact CB-CG 4.43Å; P338-Q341 HydrophobicContact CG-CG 3.84Å; P338-Q341 WeakPolarHBondContact O-CG 3.47Å |
| 339 | R | 94.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 157.9 | -176.5 | -60.7 | -81.7 | 179.2 | -139.2 | 17.8 | 110.9 | E104 V334 K335 K336 Q341 | E104-R339 IonicContact OE1-CZ 2.64Å; E104-R339 IonicContact OE1-NE 2.66Å; E104-R339 PolarHBondContact OE1-NE 3.01Å; E104-R339 IonicContact OE1-NH2 3.93Å; E104-R339 IonicContact OE2-NH2 2.71Å; V334-R339 WeakPolarHBondContact O-CD 3.29Å; V334-R339 PolarHBondContact O-NE 3.06Å; V334-R339 VanDerWaalsContact O-NE 3.16Å; V334-R339 PolarHBondContact O-NH1 3.03Å; K335-R339 PolarHBondContact O-NH1 2.86Å; K336-R339 VanDerWaalsContact O-CA 3.31Å; K336-R339 WeakPolarHBondContact O-CA 3.22Å; K336-R339 VanDerWaalsContact O-CD 3.31Å; K336-R339 WeakPolarHBondContact O-CD 3.34Å; K336-R339 PolarHBondContact O-N 2.93Å; K336-R339 PolarHBondContact O-NH1 2.91Å; R339-Q341 VanDerWaalsContact C-N 3.25Å; R339-Q341 PolarHBondContact O-N 2.8Å; R339-Q341 VanDerWaalsContact O-N 3.07Å; R339-Q341 PolarHBondContact O-NE2 2.76Å |
| 340 | F | 94.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35 | 165.9 | -46.7 | -57.4 | 0 | 0 | 0 | 115.2 | Y55 W74 M143 E144 D145 Q146 P333 V334 S342 | Y55-F340 HydrophobicContact CE1-CE2 4.49Å; Y55-F340 HydrophobicContact CE1-CZ 4.23Å; Y55-F340 WeakPolarHBondContact OH-CE2 3.37Å; Y55-F340 WeakPolarHBondContact OH-CZ 3.13Å; W74-F340 AromaticContact CE3-CE1 3.9Å; W74-F340 HydrophobicContact CE3-CE1 3.9Å; W74-F340 AromaticContact CE3-CZ 3.88Å; W74-F340 HydrophobicContact CE3-CZ 3.88Å; W74-F340 HydrophobicContact CH2-CZ 4.28Å; W74-F340 HydrophobicContact CZ3-CE1 4.14Å; W74-F340 AromaticContact CZ3-CZ 3.62Å; W74-F340 HydrophobicContact CZ3-CZ 3.62Å; M143-F340 WeakPolarHBondContact O-CE2 3.31Å; E144-F340 HydrophobicContact CB-CD1 4.37Å; E144-F340 HydrophobicContact CB-CE1 4.35Å; E144-F340 HydrophobicContact CG-CD1 3.66Å; E144-F340 HydrophobicContact CG-CE1 3.9Å; D145-F340 VanDerWaalsContact O-CD2 3.23Å; D145-F340 WeakPolarHBondContact O-CD2 3.5Å; Q146-F340 WeakPolarHBondContact CG-O 3.24Å; P333-F340 HydrophobicContact CB-CD1 4.21Å; P333-F340 PolarHBondContact O-N 2.91Å; V334-F340 HydrophobicContact CB-CE1 4.01Å; V334-F340 HydrophobicContact CB-CZ 4.45Å; V334-F340 HydrophobicContact CG2-CE1 4.09Å; V334-F340 HydrophobicContact CG2-CZ 4.04Å; F340-S342 PolarHBondContact O-N 3.14Å |
| 341 | Q | 94.8 | Very high | 95.4 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -72.1 | -8.5 | 174 | -61.5 | -57.9 | -69.5 | 0 | 0 | 113.3 | P338 R339 | P338-Q341 HydrophobicContact CB-CG 4.43Å; P338-Q341 HydrophobicContact CG-CG 3.84Å; P338-Q341 WeakPolarHBondContact O-CG 3.47Å; R339-Q341 VanDerWaalsContact C-N 3.25Å; R339-Q341 PolarHBondContact O-N 2.8Å; R339-Q341 VanDerWaalsContact O-N 3.07Å; R339-Q341 PolarHBondContact O-NE2 2.76Å |
| 342 | S | 93.6 | Very high | 95.5 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -151.5 | 155.4 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | P333 F340 | P333-S342 VanDerWaalsContact CB-O 3.29Å; P333-S342 WeakPolarHBondContact CB-O 3.44Å; P333-S342 WeakPolarHBondContact CG-O 3.13Å; F340-S342 PolarHBondContact O-N 3.14Å |
| 343 | K | 93.7 | Very high | 95.5 | Very high | 91 Ų | 91 | 58 Ų | 58 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | trans | -124.9 | 101.7 | 176.5 | -170.4 | 169.9 | -174.1 | 171.9 | 0 | 109.3 | D32 E144 | D32-K343 IonicContact OD1-NZ 2.83Å; D32-K343 PolarHBondContact OD1-NZ 3.33Å; D32-K343 WeakPolarHBondContact OD2-CE 3.47Å; D32-K343 IonicContact OD2-NZ 2.98Å; D32-K343 PolarHBondContact OD2-NZ 3.18Å; E144-K343 HydrophobicContact CG-CG 4.41Å | ||
| 344 | P | 95.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | trans | -72.7 | 160.6 | -179 | 31.1 | -36.5 | 0 | 0 | 0 | 111.3 | F328 P333 R346 | F328-P344 HydrophobicContact CD1-CB 4.18Å; F328-P344 HydrophobicContact CD2-CB 4.42Å; F328-P344 HydrophobicContact CD2-CG 4.03Å; F328-P344 HydrophobicContact CE1-CB 3.64Å; F328-P344 HydrophobicContact CE1-CG 4.29Å; F328-P344 HydrophobicContact CE2-CB 3.93Å; F328-P344 HydrophobicContact CE2-CG 3.8Å; F328-P344 HydrophobicContact CG-CG 4.4Å; F328-P344 HydrophobicContact CZ-CB 3.52Å; F328-P344 HydrophobicContact CZ-CG 3.95Å; P333-P344 HydrophobicContact CG-CG 4.25Å; P344-R346 HydrophobicContact CG-CG 4.37Å; P344-R346 PolarHBondContact O-N 2.92Å | ||
| 345 | D | 96 | Very high | 95.5 | Very high | 111 Ų | 111 | 62.1 Ų | 62.1 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | trans | -74.3 | 112.9 | 172 | -174.5 | -3.1 | 0 | 0 | 0 | 110.1 | K347 | D345-K347 VanDerWaalsContact OD1-CB 3.32Å; D345-K347 WeakPolarHBondContact OD1-CB 3.41Å; D345-K347 WeakPolarHBondContact OD1-CG 3.47Å; D345-K347 PolarHBondContact OD1-N 3.12Å | ||
| 346 | R | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.038 | 32% | 0.324 | C | S | . | . | trans | -101.2 | 8.6 | -178.1 | -57.8 | -172 | 179.6 | -91.8 | 0.9 | 113.2 | V34 A73 E144 S325 F328 D332 P344 H348 | V34-R346 HydrophobicContact CB-CB 4.39Å; V34-R346 HydrophobicContact CG2-CB 4.38Å; A73-R346 HydrophobicContact CB-CB 3.71Å; A73-R346 HydrophobicContact CB-CG 4.29Å; A73-R346 PolarHBondContact O-NH1 3.19Å; E144-R346 IonicContact OE1-CZ 3.05Å; E144-R346 IonicContact OE1-NE 3.74Å; E144-R346 PolarHBondContact OE1-NE 2.88Å; E144-R346 IonicContact OE1-NH2 2.79Å; E144-R346 PolarHBondContact OE1-NH2 3.17Å; E144-R346 IonicContact OE2-NE 3.82Å; E144-R346 PolarHBondContact OE2-NE 2.87Å; S325-R346 WeakPolarHBondContact CB-O 3.24Å; S325-R346 PolarHBondContact OG-O 3.3Å; F328-R346 HydrophobicContact CE2-CG 4.17Å; D332-R346 VanDerWaalsContact CG-NH2 3.32Å; D332-R346 IonicContact OD1-CZ 3.54Å; D332-R346 IonicContact OD1-NH1 2.77Å; D332-R346 IonicContact OD1-NH2 3.17Å; D332-R346 PolarHBondContact OD1-NH2 3.3Å; D332-R346 IonicContact OD2-CZ 3.73Å; D332-R346 IonicContact OD2-NH1 2.84Å; D332-R346 PolarHBondContact OD2-NH1 2.91Å; D332-R346 IonicContact OD2-NH2 2.94Å; D332-R346 PolarHBondContact OD2-NH2 2.76Å; D332-R346 VanDerWaalsContact OD2-NH2 3.14Å; P344-R346 HydrophobicContact CG-CG 4.37Å; P344-R346 PolarHBondContact O-N 2.92Å; R346-H348 PolarHBondContact O-N 3.29Å | ||
| 347 | K | 97.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 27% | 0.274 | 31% | 0.307 | S | S | . | . | trans | -65.8 | 121 | -174.2 | -65.3 | 173.9 | 178 | -172.1 | 0 | 111.2 | V34 D345 F351 V352 E355 | V34-K347 HydrophobicContact CG2-CB 4.46Å; V34-K347 HydrophobicContact CG2-CG 3.86Å; D345-K347 VanDerWaalsContact OD1-CB 3.32Å; D345-K347 WeakPolarHBondContact OD1-CB 3.41Å; D345-K347 WeakPolarHBondContact OD1-CG 3.47Å; D345-K347 PolarHBondContact OD1-N 3.12Å; K347-F351 HydrophobicContact CB-CD1 4.09Å; K347-F351 HydrophobicContact CD-CD1 3.97Å; K347-F351 HydrophobicContact CD-CE1 4.11Å; K347-F351 HydrophobicContact CG-CD1 3.61Å; K347-F351 HydrophobicContact CG-CE1 3.92Å; K347-F351 HydrophobicContact CG-CG 4.43Å; K347-V352 HydrophobicContact CB-CG2 3.65Å; K347-E355 IonicContact NZ-OE1 3.29Å; K347-E355 PolarHBondContact NZ-OE1 3.06Å; K347-E355 IonicContact NZ-OE2 3.13Å; K347-E355 PolarHBondContact NZ-OE2 2.84Å | ||
| 348 | H | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -81 | 165.4 | 171.8 | 62.7 | 77.5 | 0 | 0 | 0 | 111 | V34 Q35 G299 E322 S324 R346 L350 F351 V352 | V34-H348 WeakPolarHBondContact CG1-CD2 3.48Å; Q35-H348 PolarHBondContact O-NE2 3.08Å; Q35-H348 VanDerWaalsContact O-NE2 3.17Å; G299-H348 PolarHBondContact O-CE1 3.06Å; G299-H348 VanDerWaalsContact O-CE1 3.24Å; G299-H348 PolarHBondContact O-NE2 3.28Å; E322-H348 PolarHBondContact O-ND1 2.75Å; S324-H348 VanDerWaalsContact O-CB 3.27Å; S324-H348 WeakPolarHBondContact O-CB 3.45Å; R346-H348 PolarHBondContact O-N 3.29Å; H348-L350 VanDerWaalsContact C-N 3.35Å; H348-L350 PolarHBondContact ND1-N 3.37Å; H348-L350 PolarHBondContact O-N 3.18Å; H348-F351 PolarHBondContact CE1-N 3.07Å; H348-F351 PolarHBondContact ND1-N 3.3Å; H348-F351 VanDerWaalsContact ND1-N 3.19Å; H348-F351 WeakPolarHBondContact O-CB 3.38Å; H348-F351 PolarHBondContact O-N 3.1Å; H348-V352 PolarHBondContact O-N 3.45Å; H348-V352 VanDerWaalsContact O-N 3.16Å | ||
| 349 | P | 96.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.7 | -43 | -173.3 | -30.2 | 36.7 | 0 | 0 | 0 | 115.2 | E322 | E322-P349 WeakPolarHBondContact O-CD 3.45Å |
| 350 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.6 | 175.5 | 62.7 | 0 | 0 | 0 | 112.1 | T300 E322 T323 H348 V352 K353 H354 V408 E411 L412 Y415 | T300-L350 HydrophobicContact CG2-CD1 4.34Å; T300-L350 HydrophobicContact CG2-CD2 3.78Å; T300-L350 HydrophobicContact CG2-CG 3.61Å; E322-L350 WeakPolarHBondContact O-CB 3.06Å; E322-L350 PolarHBondContact O-N 3.14Å; E322-L350 VanDerWaalsContact O-N 3.11Å; T323-L350 HydrophobicContact CG2-CB 4.41Å; T323-L350 HydrophobicContact CG2-CD2 3.8Å; H348-L350 VanDerWaalsContact C-N 3.35Å; H348-L350 PolarHBondContact ND1-N 3.37Å; H348-L350 PolarHBondContact O-N 3.18Å; L350-V352 PolarHBondContact O-N 3.01Å; L350-K353 PolarHBondContact O-N 3.27Å; L350-H354 WeakPolarHBondContact O-CB 3.2Å; L350-H354 PolarHBondContact O-N 3.5Å; L350-V408 HydrophobicContact CB-CG1 4.2Å; L350-V408 HydrophobicContact CD1-CG1 4.17Å; L350-V408 HydrophobicContact CD2-CG1 4.05Å; L350-V408 HydrophobicContact CD2-CG2 4.32Å; L350-V408 HydrophobicContact CG-CG1 4.35Å; L350-E411 HydrophobicContact CD1-CG 4.36Å; L350-L412 HydrophobicContact CD1-CD2 3.87Å; L350-L412 HydrophobicContact CD1-CG 4.26Å; L350-Y415 HydrophobicContact CD1-CE2 4Å |
| 351 | F | 97.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | -179.3 | -167.6 | -77.3 | 0 | 0 | 0 | 111.8 | V34 P301 K347 H348 K353 H354 E355 | V34-F351 HydrophobicContact CB-CD2 4.36Å; V34-F351 HydrophobicContact CB-CE2 4.4Å; V34-F351 HydrophobicContact CG1-CB 4.5Å; V34-F351 HydrophobicContact CG1-CD2 3.91Å; V34-F351 HydrophobicContact CG1-CE2 4.41Å; V34-F351 HydrophobicContact CG1-CG 4.28Å; V34-F351 HydrophobicContact CG2-CD1 4.34Å; V34-F351 HydrophobicContact CG2-CD2 4.11Å; V34-F351 HydrophobicContact CG2-CE1 4.28Å; V34-F351 HydrophobicContact CG2-CE2 4.02Å; V34-F351 HydrophobicContact CG2-CG 4.26Å; V34-F351 HydrophobicContact CG2-CZ 4.11Å; P301-F351 HydrophobicContact CG-CD2 4.41Å; P301-F351 HydrophobicContact CG-CE2 3.57Å; P301-F351 HydrophobicContact CG-CZ 4.07Å; K347-F351 HydrophobicContact CB-CD1 4.09Å; K347-F351 HydrophobicContact CD-CD1 3.97Å; K347-F351 HydrophobicContact CD-CE1 4.11Å; K347-F351 HydrophobicContact CG-CD1 3.61Å; K347-F351 HydrophobicContact CG-CE1 3.92Å; K347-F351 HydrophobicContact CG-CG 4.43Å; H348-F351 PolarHBondContact CE1-N 3.07Å; H348-F351 PolarHBondContact ND1-N 3.3Å; H348-F351 VanDerWaalsContact ND1-N 3.19Å; H348-F351 WeakPolarHBondContact O-CB 3.38Å; H348-F351 PolarHBondContact O-N 3.1Å; F351-K353 PolarHBondContact O-N 3.46Å; F351-H354 PolarHBondContact O-N 3.24Å; F351-H354 VanDerWaalsContact O-N 3.17Å; F351-E355 PolarHBondContact O-N 3.04Å |
| 352 | V | 96.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -40.2 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | K347 H348 L350 | K347-V352 HydrophobicContact CB-CG2 3.65Å; H348-V352 PolarHBondContact O-N 3.45Å; H348-V352 VanDerWaalsContact O-N 3.16Å; L350-V352 PolarHBondContact O-N 3.01Å |
| 353 | K | 96.5 | Very high | 95.2 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.4 | -40.3 | 178.5 | -62.4 | -62 | -171.9 | 179.8 | 0 | 111.7 | L350 F351 E355 V356 I357 L412 Y415 | L350-K353 PolarHBondContact O-N 3.27Å; F351-K353 PolarHBondContact O-N 3.46Å; K353-E355 VanDerWaalsContact C-N 3.34Å; K353-E355 PolarHBondContact O-N 2.86Å; K353-V356 PolarHBondContact O-N 2.82Å; K353-I357 WeakPolarHBondContact O-CG1 3.05Å; K353-I357 PolarHBondContact O-N 2.78Å; K353-I357 VanDerWaalsContact O-N 3.13Å; K353-L412 HydrophobicContact CB-CD2 3.76Å; K353-L412 HydrophobicContact CG-CD2 3.77Å; K353-Y415 HydrophobicContact CB-CD2 3.79Å; K353-Y415 HydrophobicContact CB-CE2 4.22Å |
| 354 | H | 96.2 | Very high | 95.2 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.8 | -177.3 | 86.6 | 0 | 0 | 0 | 112.2 | T300 P301 R305 S306 L350 F351 V356 I357 A358 Y415 | T300-H354 HydrophobicContact CG2-CB 3.58Å; P301-H354 PolarHBondContact O-NE2 2.88Å; P301-H354 VanDerWaalsContact O-NE2 3.12Å; R305-H354 PolarHBondContact O-CE1 3.37Å; S306-H354 PolarHBondContact OG-CE1 2.65Å; S306-H354 VanDerWaalsContact OG-CE1 3.22Å; L350-H354 WeakPolarHBondContact O-CB 3.2Å; L350-H354 PolarHBondContact O-N 3.5Å; F351-H354 PolarHBondContact O-N 3.24Å; F351-H354 VanDerWaalsContact O-N 3.17Å; H354-V356 VanDerWaalsContact C-N 3.3Å; H354-V356 PolarHBondContact O-N 3.42Å; H354-I357 CarbonylContact O-C 3.52Å; H354-I357 PolarHBondContact O-N 3.33Å; H354-A358 WeakPolarHBondContact O-CB 3.33Å; H354-A358 PolarHBondContact O-N 3.42Å; H354-Y415 HydrophobicContact CB-CE2 4.22Å; H354-Y415 PolarHBondContact ND1-OH 3.49Å |
| 355 | E | 95 | Very high | 94.9 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 178.6 | -174 | 179.1 | -132.8 | 0 | 0 | 112.1 | K347 F351 K353 A359 | K347-E355 IonicContact NZ-OE1 3.29Å; K347-E355 PolarHBondContact NZ-OE1 3.06Å; K347-E355 IonicContact NZ-OE2 3.13Å; K347-E355 PolarHBondContact NZ-OE2 2.84Å; F351-E355 PolarHBondContact O-N 3.04Å; K353-E355 VanDerWaalsContact C-N 3.34Å; K353-E355 PolarHBondContact O-N 2.86Å; E355-A359 PolarHBondContact O-N 3.18Å |
| 356 | V | 95.1 | Very high | 94.8 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | K353 H354 A359 I360 | K353-V356 PolarHBondContact O-N 2.82Å; H354-V356 VanDerWaalsContact C-N 3.3Å; H354-V356 PolarHBondContact O-N 3.42Å; V356-A359 PolarHBondContact O-N 3.25Å; V356-I360 HydrophobicContact CG1-CD1 4.12Å; V356-I360 WeakPolarHBondContact O-CG1 3.35Å; V356-I360 PolarHBondContact O-N 3.09Å; V356-I360 VanDerWaalsContact O-N 3.11Å |
| 357 | I | 95.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.5 | -40.5 | -178.9 | -67.3 | -68.6 | 0 | 0 | 0 | 111.6 | K353 H354 A359 I360 I361 I371 Y415 | K353-I357 WeakPolarHBondContact O-CG1 3.05Å; K353-I357 PolarHBondContact O-N 2.78Å; K353-I357 VanDerWaalsContact O-N 3.13Å; H354-I357 CarbonylContact O-C 3.52Å; H354-I357 PolarHBondContact O-N 3.33Å; I357-A359 VanDerWaalsContact C-N 3.3Å; I357-A359 PolarHBondContact O-N 3Å; I357-I360 HydrophobicContact CD1-CD1 4.31Å; I357-I360 WeakPolarHBondContact O-CB 3.38Å; I357-I360 PolarHBondContact O-N 3.12Å; I357-I360 VanDerWaalsContact O-N 3.09Å; I357-I361 HydrophobicContact CG2-CD1 3.87Å; I357-I361 HydrophobicContact CG2-CG1 4.33Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.48Å; I357-I371 HydrophobicContact CG2-CG2 3.79Å; I357-Y415 HydrophobicContact CB-CD1 4.26Å; I357-Y415 HydrophobicContact CB-CE1 4.33Å; I357-Y415 HydrophobicContact CB-CG 4.48Å; I357-Y415 HydrophobicContact CD1-CD1 4.19Å; I357-Y415 HydrophobicContact CD1-CG 4.08Å; I357-Y415 HydrophobicContact CG1-CD1 3.72Å; I357-Y415 HydrophobicContact CG1-CD2 3.94Å; I357-Y415 HydrophobicContact CG1-CE1 4.24Å; I357-Y415 HydrophobicContact CG1-CE2 4.4Å; I357-Y415 HydrophobicContact CG1-CG 3.55Å; I357-Y415 HydrophobicContact CG2-CD1 3.96Å; I357-Y415 HydrophobicContact CG2-CE1 3.91Å |
| 358 | A | 93.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -45.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | H354 I360 I361 E362 | H354-A358 WeakPolarHBondContact O-CB 3.33Å; H354-A358 PolarHBondContact O-N 3.42Å; A358-I360 VanDerWaalsContact C-N 3.32Å; A358-I360 PolarHBondContact O-N 2.94Å; A358-I361 PolarHBondContact O-N 2.91Å; A358-E362 PolarHBondContact O-N 3.03Å; A358-E362 VanDerWaalsContact O-N 3.11Å |
| 359 | A | 93.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E355 V356 I357 S363 | E355-A359 PolarHBondContact O-N 3.18Å; V356-A359 PolarHBondContact O-N 3.25Å; I357-A359 VanDerWaalsContact C-N 3.3Å; I357-A359 PolarHBondContact O-N 3Å; A359-S363 VanDerWaalsContact O-CB 3.22Å; A359-S363 WeakPolarHBondContact O-CB 3.42Å; A359-S363 PolarHBondContact O-N 3.12Å; A359-S363 PolarHBondContact O-OG 3.38Å |
| 360 | I | 93.8 | Very high | 94 | Very high | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 175.3 | -70.7 | 166.1 | 0 | 0 | 0 | 111.2 | V356 I357 A358 E362 S363 Y364 R367 I371 | V356-I360 HydrophobicContact CG1-CD1 4.12Å; V356-I360 WeakPolarHBondContact O-CG1 3.35Å; V356-I360 PolarHBondContact O-N 3.09Å; V356-I360 VanDerWaalsContact O-N 3.11Å; I357-I360 HydrophobicContact CD1-CD1 4.31Å; I357-I360 WeakPolarHBondContact O-CB 3.38Å; I357-I360 PolarHBondContact O-N 3.12Å; I357-I360 VanDerWaalsContact O-N 3.09Å; A358-I360 VanDerWaalsContact C-N 3.32Å; A358-I360 PolarHBondContact O-N 2.94Å; I360-E362 VanDerWaalsContact C-N 3.29Å; I360-E362 PolarHBondContact O-N 3.02Å; I360-S363 PolarHBondContact O-N 2.87Å; I360-Y364 HydrophobicContact CB-CD2 4.46Å; I360-Y364 HydrophobicContact CG2-CD2 4.08Å; I360-Y364 PolarHBondContact O-N 2.98Å; I360-R367 HydrophobicContact CG2-CG 4.12Å; I360-I371 HydrophobicContact CG2-CD1 3.71Å |
| 361 | I | 93 | Very high | 93.9 | Very high | 28 Ų | 28 | 72 Ų | 72 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.9 | -71.4 | 167.3 | 0 | 0 | 0 | 110.4 | R305 I357 A358 I371 | R305-I361 HydrophobicContact CB-CD1 4.35Å; R305-I361 HydrophobicContact CG-CD1 4.46Å; I357-I361 HydrophobicContact CG2-CD1 3.87Å; I357-I361 HydrophobicContact CG2-CG1 4.33Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.48Å; A358-I361 PolarHBondContact O-N 2.91Å; I361-I371 HydrophobicContact CD1-CG2 3.96Å; I361-I371 HydrophobicContact CG1-CB 4.31Å; I361-I371 HydrophobicContact CG1-CD1 4.38Å; I361-I371 HydrophobicContact CG1-CG2 4.17Å |
| 362 | E | 89.4 | Confident | 93.8 | Very high | 128 Ų | 128 | 73.2 Ų | 73.2 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 177.6 | -70.3 | 179.8 | 166.5 | 0 | 0 | 112.9 | R305 A358 I360 | R305-E362 IonicContact CZ-OE1 2.87Å; R305-E362 IonicContact NH1-OE1 3.17Å; R305-E362 PolarHBondContact NH1-OE1 2.99Å; R305-E362 IonicContact NH2-OE1 3.58Å; R305-E362 PolarHBondContact NH2-OE1 3.05Å; A358-E362 PolarHBondContact O-N 3.03Å; A358-E362 VanDerWaalsContact O-N 3.11Å; I360-E362 VanDerWaalsContact C-N 3.29Å; I360-E362 PolarHBondContact O-N 3.02Å |
| 363 | S | 94 | Very high | 93.8 | Very high | 85 Ų | 85 | 76.4 Ų | 76.4 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -82.5 | -27.7 | -170.9 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | A359 I360 | A359-S363 VanDerWaalsContact O-CB 3.22Å; A359-S363 WeakPolarHBondContact O-CB 3.42Å; A359-S363 PolarHBondContact O-N 3.12Å; A359-S363 PolarHBondContact O-OG 3.38Å; I360-S363 PolarHBondContact O-N 2.87Å |
| 364 | Y | 93.5 | Very high | 93.8 | Very high | 138 Ų | 138 | 73.9 Ų | 73.9 | 54% | 0.541 | 36% | 0.363 | S | S | . | . | trans | -129.9 | 85.3 | -170 | -59.7 | -82 | 0 | 0 | 0 | 111.9 | I360 E366 R367 G368 | I360-Y364 HydrophobicContact CB-CD2 4.46Å; I360-Y364 HydrophobicContact CG2-CD2 4.08Å; I360-Y364 PolarHBondContact O-N 2.98Å; Y364-E366 PolarHBondContact O-N 2.73Å; Y364-R367 PolarHBondContact O-N 3.48Å; Y364-R367 VanDerWaalsContact O-N 3.11Å; Y364-G368 PolarHBondContact O-N 2.99Å | ||
| 365 | K | 90.1 | Very high | 93.8 | Very high | 165 Ų | 165 | 73.6 Ų | 73.6 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -44.9 | -54.6 | -171.6 | -167 | 177.7 | -177.7 | 178.7 | 0 | 115.4 | G368 Q369 | K365-G368 PolarHBondContact O-N 3.4Å; K365-Q369 WeakPolarHBondContact O-CB 3.33Å; K365-Q369 VanDerWaalsContact O-CG 3.27Å; K365-Q369 WeakPolarHBondContact O-CG 3.38Å; K365-Q369 PolarHBondContact O-N 3.4Å |
| 366 | E | 92.4 | Very high | 93.9 | Very high | 168 Ų | 168 | 71.3 Ų | 71.3 | 79% | 0.785 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | -177.7 | -67.8 | -178.7 | -179.6 | 0 | 0 | 112.6 | Y364 K370 | Y364-E366 PolarHBondContact O-N 2.73Å; E366-K370 PolarHBondContact O-N 3.05Å; E366-K370 VanDerWaalsContact O-N 3.13Å |
| 367 | R | 91.9 | Very high | 94 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.9 | -173.8 | 178.5 | -179.9 | -161.5 | -0.8 | 110.7 | I360 Y364 K370 I371 T418 | I360-R367 HydrophobicContact CG2-CG 4.12Å; Y364-R367 PolarHBondContact O-N 3.48Å; Y364-R367 VanDerWaalsContact O-N 3.11Å; R367-K370 PolarHBondContact O-N 3.37Å; R367-I371 HydrophobicContact CG-CD1 4.1Å; R367-I371 VanDerWaalsContact O-CG1 3.31Å; R367-I371 WeakPolarHBondContact O-CG1 3.22Å; R367-I371 PolarHBondContact O-N 3.1Å; R367-T418 PolarHBondContact NE-O 3.42Å; R367-T418 PolarHBondContact NH2-O 2.65Å; R367-T418 PolarHBondContact NH2-OXT 3.42Å |
| 368 | G | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y364 K365 K370 I371 T372 | Y364-G368 PolarHBondContact O-N 2.99Å; K365-G368 PolarHBondContact O-N 3.4Å; G368-K370 VanDerWaalsContact C-N 3.33Å; G368-K370 PolarHBondContact O-N 2.85Å; G368-I371 WeakPolarHBondContact O-CB 3.48Å; G368-I371 PolarHBondContact O-N 2.89Å; G368-T372 PolarHBondContact O-N 3.01Å; G368-T372 PolarHBondContact O-OG1 3.09Å; G368-T372 VanDerWaalsContact O-OG1 3.12Å |
| 369 | Q | 93.4 | Very high | 94.4 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 174.7 | -77.3 | 175 | -18.2 | 0 | 0 | 111.8 | K365 I371 T372 E373 | K365-Q369 WeakPolarHBondContact O-CB 3.33Å; K365-Q369 VanDerWaalsContact O-CG 3.27Å; K365-Q369 WeakPolarHBondContact O-CG 3.38Å; K365-Q369 PolarHBondContact O-N 3.4Å; Q369-I371 PolarHBondContact O-N 2.78Å; Q369-T372 PolarHBondContact O-N 3.34Å; Q369-E373 WeakPolarHBondContact O-CB 3.11Å; Q369-E373 VanDerWaalsContact O-CG 3.31Å; Q369-E373 WeakPolarHBondContact O-CG 3.12Å; Q369-E373 PolarHBondContact O-N 3.04Å |
| 370 | K | 94.6 | Very high | 94.5 | Very high | 130 Ų | 130 | 76 Ų | 76 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 177.9 | -171.8 | 179.1 | -178 | -177.4 | 0 | 112.9 | E366 R367 G368 N374 | E366-K370 PolarHBondContact O-N 3.05Å; E366-K370 VanDerWaalsContact O-N 3.13Å; R367-K370 PolarHBondContact O-N 3.37Å; G368-K370 VanDerWaalsContact C-N 3.33Å; G368-K370 PolarHBondContact O-N 2.85Å; K370-N374 PolarHBondContact O-N 3.12Å; K370-N374 VanDerWaalsContact O-N 3.11Å; K370-N374 PolarHBondContact O-ND2 2.64Å; K370-N374 VanDerWaalsContact O-ND2 3.08Å |
| 371 | I | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.7 | -54 | 174.2 | -70.1 | 159.9 | 0 | 0 | 0 | 109.3 | I357 I360 I361 R367 G368 Q369 E373 N374 L375 T418 | I357-I371 HydrophobicContact CG2-CG2 3.79Å; I360-I371 HydrophobicContact CG2-CD1 3.71Å; I361-I371 HydrophobicContact CD1-CG2 3.96Å; I361-I371 HydrophobicContact CG1-CB 4.31Å; I361-I371 HydrophobicContact CG1-CD1 4.38Å; I361-I371 HydrophobicContact CG1-CG2 4.17Å; R367-I371 HydrophobicContact CG-CD1 4.1Å; R367-I371 VanDerWaalsContact O-CG1 3.31Å; R367-I371 WeakPolarHBondContact O-CG1 3.22Å; R367-I371 PolarHBondContact O-N 3.1Å; G368-I371 WeakPolarHBondContact O-CB 3.48Å; G368-I371 PolarHBondContact O-N 2.89Å; Q369-I371 PolarHBondContact O-N 2.78Å; I371-E373 VanDerWaalsContact C-N 3.31Å; I371-E373 PolarHBondContact O-N 3.37Å; I371-N374 WeakPolarHBondContact O-CB 2.88Å; I371-N374 PolarHBondContact O-N 3.34Å; I371-N374 VanDerWaalsContact O-N 3.09Å; I371-L375 HydrophobicContact CG2-CD1 3.85Å; I371-L375 HydrophobicContact CG2-CG 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.04Å; I371-L375 PolarHBondContact O-N 3.45Å; I371-T418 HydrophobicContact CB-CG2 4.48Å; I371-T418 HydrophobicContact CD1-CG2 4.44Å; I371-T418 VanDerWaalsContact CG1-CB 3.45Å; I371-T418 HydrophobicContact CG1-CG2 3.44Å; I371-T418 VanDerWaalsContact CG1-CG2 3.44Å |
| 372 | T | 94.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 78.2 Ų | 78.2 | 22% | 0.221 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | -178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | G368 Q369 N374 L375 R376 | G368-T372 PolarHBondContact O-N 3.01Å; G368-T372 PolarHBondContact O-OG1 3.09Å; G368-T372 VanDerWaalsContact O-OG1 3.12Å; Q369-T372 PolarHBondContact O-N 3.34Å; T372-N374 PolarHBondContact O-N 2.77Å; T372-L375 PolarHBondContact O-N 2.83Å; T372-R376 HydrophobicContact CG2-CG 4.4Å; T372-R376 VanDerWaalsContact O-CG 3.26Å; T372-R376 WeakPolarHBondContact O-CG 3.3Å; T372-R376 PolarHBondContact O-N 2.97Å |
| 373 | E | 95.8 | Very high | 95.2 | Very high | 131 Ų | 131 | 72.3 Ų | 72.3 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 175.1 | -75.3 | 171.5 | -178.2 | 0 | 0 | 112.4 | Q369 I371 R376 Q377 | Q369-E373 WeakPolarHBondContact O-CB 3.11Å; Q369-E373 VanDerWaalsContact O-CG 3.31Å; Q369-E373 WeakPolarHBondContact O-CG 3.12Å; Q369-E373 PolarHBondContact O-N 3.04Å; I371-E373 VanDerWaalsContact C-N 3.31Å; I371-E373 PolarHBondContact O-N 3.37Å; E373-R376 PolarHBondContact O-N 3.46Å; E373-Q377 WeakPolarHBondContact O-CB 3.17Å; E373-Q377 PolarHBondContact O-N 3.43Å |
| 374 | N | 96.6 | Very high | 95.3 | Very high | 63 Ų | 63 | 76.3 Ų | 76.3 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.3 | -68.7 | -31.7 | 0 | 0 | 0 | 112.1 | K370 I371 T372 Q377 L378 V414 | K370-N374 PolarHBondContact O-N 3.12Å; K370-N374 VanDerWaalsContact O-N 3.11Å; K370-N374 PolarHBondContact O-ND2 2.64Å; K370-N374 VanDerWaalsContact O-ND2 3.08Å; I371-N374 WeakPolarHBondContact O-CB 2.88Å; I371-N374 PolarHBondContact O-N 3.34Å; I371-N374 VanDerWaalsContact O-N 3.09Å; T372-N374 PolarHBondContact O-N 2.77Å; N374-Q377 PolarHBondContact O-N 2.85Å; N374-L378 PolarHBondContact O-N 3.48Å; N374-V414 HydrophobicContact CB-CG1 3.66Å; N374-V414 HydrophobicContact CB-CG2 4.47Å |
| 375 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 176 | -65.5 | 177.3 | 0 | 0 | 0 | 111.5 | R305 V307 I371 T372 Q377 L378 E379 E411 V414 Y415 | R305-L375 WeakPolarHBondContact O-CD1 3.38Å; V307-L375 HydrophobicContact CG2-CB 3.69Å; V307-L375 HydrophobicContact CG2-CD2 3.68Å; V307-L375 HydrophobicContact CG2-CG 4.15Å; I371-L375 HydrophobicContact CG2-CD1 3.85Å; I371-L375 HydrophobicContact CG2-CG 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.04Å; I371-L375 PolarHBondContact O-N 3.45Å; T372-L375 PolarHBondContact O-N 2.83Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-L378 PolarHBondContact O-N 3.36Å; L375-E379 PolarHBondContact O-N 2.79Å; L375-E411 HydrophobicContact CD2-CG 4.08Å; L375-V414 HydrophobicContact CD2-CB 4.1Å; L375-V414 HydrophobicContact CD2-CG1 3.79Å; L375-V414 HydrophobicContact CG-CG1 4.27Å; L375-Y415 HydrophobicContact CD1-CE1 4.07Å; L375-Y415 HydrophobicContact CD2-CD1 4.22Å; L375-Y415 HydrophobicContact CD2-CE1 3.7Å; L375-Y415 HydrophobicContact CG-CE1 4.49Å |
| 376 | R | 97.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.6 | -34.6 | 174.8 | -65.6 | -68.6 | 147.2 | -101.5 | -10.5 | 112.2 | P303 E304 S306 T372 E373 E379 K380 | P303-R376 PolarHBondContact O-NH2 3.2Å; P303-R376 VanDerWaalsContact O-NH2 3.1Å; E304-R376 VanDerWaalsContact C-NH2 3.28Å; E304-R376 PolarHBondContact O-NH2 2.6Å; S306-R376 VanDerWaalsContact O-CZ 3.3Å; S306-R376 PolarHBondContact O-NH1 3.47Å; S306-R376 PolarHBondContact O-NH2 2.79Å; T372-R376 HydrophobicContact CG2-CG 4.4Å; T372-R376 VanDerWaalsContact O-CG 3.26Å; T372-R376 WeakPolarHBondContact O-CG 3.3Å; T372-R376 PolarHBondContact O-N 2.97Å; E373-R376 PolarHBondContact O-N 3.46Å; R376-E379 IonicContact NH1-OE1 3.83Å; R376-E379 PolarHBondContact NH1-OE1 3.1Å; R376-E379 IonicContact NH1-OE2 2.75Å; R376-E379 PolarHBondContact NH1-OE2 3.26Å; R376-E379 VanDerWaalsContact NH1-OE2 3.13Å; R376-K380 VanDerWaalsContact O-CG 3.32Å; R376-K380 WeakPolarHBondContact O-CG 3.44Å; R376-K380 PolarHBondContact O-N 2.92Å |
| 377 | Q | 97.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 174.8 | -176.6 | 57.6 | 35.7 | 0 | 0 | 111.3 | E373 N374 L375 E379 K380 E381 | E373-Q377 WeakPolarHBondContact O-CB 3.17Å; E373-Q377 PolarHBondContact O-N 3.43Å; N374-Q377 PolarHBondContact O-N 2.85Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; Q377-E379 PolarHBondContact O-N 3.37Å; Q377-K380 PolarHBondContact O-N 3.43Å; Q377-E381 PolarHBondContact NE2-OE1 3.5Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 2.94Å |
| 378 | L | 97.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56 | -48.1 | 173.7 | 172.2 | 60.5 | 0 | 0 | 0 | 111.6 | V307 N374 L375 K380 E381 A382 E410 E411 | V307-L378 HydrophobicContact CG1-CD2 4.3Å; V307-L378 HydrophobicContact CG1-CG 4.33Å; V307-L378 HydrophobicContact CG2-CD2 4.38Å; N374-L378 PolarHBondContact O-N 3.48Å; L375-L378 PolarHBondContact O-N 3.36Å; L378-K380 PolarHBondContact O-N 3.39Å; L378-E381 PolarHBondContact O-N 3.08Å; L378-A382 PolarHBondContact O-N 3.5Å; L378-E410 HydrophobicContact CD1-CB 3.7Å; L378-E410 HydrophobicContact CD1-CG 4.45Å; L378-E410 WeakPolarHBondContact CD1-OE2 3.48Å; L378-E410 HydrophobicContact CD2-CB 4.1Å; L378-E411 HydrophobicContact CD2-CB 3.94Å |
| 379 | E | 97.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 177 | -176.4 | 169 | 89.2 | 0 | 0 | 112.2 | R263 V307 F308 L375 R376 Q377 E381 A382 M383 | R263-E379 IonicContact CZ-OE1 2.68Å; R263-E379 VanDerWaalsContact CZ-OE1 3.29Å; R263-E379 IonicContact CZ-OE2 2.65Å; R263-E379 IonicContact NH1-OE1 3.55Å; R263-E379 PolarHBondContact NH1-OE1 3.14Å; R263-E379 IonicContact NH1-OE2 2.83Å; R263-E379 IonicContact NH2-OE1 2.86Å; R263-E379 PolarHBondContact NH2-OE1 2.99Å; R263-E379 IonicContact NH2-OE2 3.65Å; R263-E379 PolarHBondContact NH2-OE2 2.71Å; V307-E379 HydrophobicContact CG1-CB 4.15Å; F308-E379 HydrophobicContact CB-CG 4.43Å; F308-E379 WeakPolarHBondContact CB-OE2 3.35Å; F308-E379 WeakPolarHBondContact CD2-OE2 3.4Å; F308-E379 PolarHBondContact N-OE2 2.9Å; L375-E379 PolarHBondContact O-N 2.79Å; R376-E379 IonicContact NH1-OE1 3.83Å; R376-E379 PolarHBondContact NH1-OE1 3.1Å; R376-E379 IonicContact NH1-OE2 2.75Å; R376-E379 PolarHBondContact NH1-OE2 3.26Å; R376-E379 VanDerWaalsContact NH1-OE2 3.13Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; Q377-E379 PolarHBondContact O-N 3.37Å; E379-E381 VanDerWaalsContact C-N 3.31Å; E379-E381 PolarHBondContact O-N 3.19Å; E379-A382 WeakPolarHBondContact O-CB 3.38Å; E379-A382 PolarHBondContact O-N 3.03Å; E379-M383 HydrophobicContact CG-CG 4.5Å; E379-M383 HydrophobicContact CG-SD 4.12Å; E379-M383 VanDerWaalsContact O-CG 3.31Å; E379-M383 WeakPolarHBondContact O-CG 3.22Å; E379-M383 PolarHBondContact O-N 2.81Å |
| 380 | K | 97.3 | Very high | 95.9 | Very high | 133 Ų | 133 | 56.8 Ų | 56.8 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 178.2 | -75.2 | 174.8 | -178.9 | 178.9 | 0 | 112.5 | R376 Q377 L378 K384 | R376-K380 VanDerWaalsContact O-CG 3.32Å; R376-K380 WeakPolarHBondContact O-CG 3.44Å; R376-K380 PolarHBondContact O-N 2.92Å; Q377-K380 PolarHBondContact O-N 3.43Å; L378-K380 PolarHBondContact O-N 3.39Å; K380-K384 WeakPolarHBondContact O-CB 3.43Å; K380-K384 PolarHBondContact O-N 3Å |
| 381 | E | 96.6 | Very high | 95.8 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 177.1 | -73.8 | 175 | -166 | 0 | 0 | 111.8 | Q377 L378 E379 K384 K385 | Q377-E381 PolarHBondContact NE2-OE1 3.5Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 2.94Å; L378-E381 PolarHBondContact O-N 3.08Å; E379-E381 VanDerWaalsContact C-N 3.31Å; E379-E381 PolarHBondContact O-N 3.19Å; E381-K384 PolarHBondContact O-N 3.29Å; E381-K385 WeakPolarHBondContact O-CG 3.48Å; E381-K385 PolarHBondContact O-N 2.97Å |
| 382 | A | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P310 L378 E379 K384 K385 M386 | P310-A382 HydrophobicContact CG-CB 4.18Å; L378-A382 PolarHBondContact O-N 3.5Å; E379-A382 WeakPolarHBondContact O-CB 3.38Å; E379-A382 PolarHBondContact O-N 3.03Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 2.96Å; A382-K385 WeakPolarHBondContact O-CB 3.33Å; A382-K385 PolarHBondContact O-N 3.2Å; A382-K385 VanDerWaalsContact O-N 3.15Å; A382-M386 WeakPolarHBondContact O-CG 3.49Å; A382-M386 PolarHBondContact O-N 2.9Å; A382-M386 VanDerWaalsContact O-N 3.11Å |
| 383 | M | 96.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 178.3 | -69.4 | -177.7 | 71.2 | 0 | 0 | 112.5 | A255 E256 M259 Y296 E379 K385 M386 E387 | A255-M383 HydrophobicContact CB-CE 3.62Å; E256-M383 HydrophobicContact CB-CE 4.35Å; E256-M383 VanDerWaalsContact CD-CE 3.48Å; E256-M383 HydrophobicContact CG-CE 3.49Å; E256-M383 VanDerWaalsContact CG-CE 3.49Å; E256-M383 HydrophobicContact CG-SD 4.06Å; M259-M383 HydrophobicContact CE-CE 3.99Å; M259-M383 HydrophobicContact CE-CG 4.44Å; M259-M383 HydrophobicContact CE-SD 3.88Å; M259-M383 HydrophobicContact SD-CE 4.11Å; M259-M383 HydrophobicContact SD-SD 3.65Å; M259-M383 VanDerWaalsContact SD-SD 3.65Å; Y296-M383 HydrophobicContact CE1-CG 3.88Å; E379-M383 HydrophobicContact CG-CG 4.5Å; E379-M383 HydrophobicContact CG-SD 4.12Å; E379-M383 VanDerWaalsContact O-CG 3.31Å; E379-M383 WeakPolarHBondContact O-CG 3.22Å; E379-M383 PolarHBondContact O-N 2.81Å; M383-K385 VanDerWaalsContact C-N 3.29Å; M383-K385 PolarHBondContact O-N 3.33Å; M383-M386 WeakPolarHBondContact O-CA 3.48Å; M383-M386 WeakPolarHBondContact O-CB 3.43Å; M383-M386 PolarHBondContact O-N 3.12Å; M383-E387 PolarHBondContact O-N 3.16Å |
| 384 | K | 95.6 | Very high | 95.5 | Very high | 169 Ų | 169 | 51.5 Ų | 51.5 | 74% | 0.735 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.8 | -39.1 | 176.4 | -175.2 | 179.4 | 179.9 | -178.6 | 0 | 112.4 | K380 E381 A382 M386 | K380-K384 WeakPolarHBondContact O-CB 3.43Å; K380-K384 PolarHBondContact O-N 3Å; E381-K384 PolarHBondContact O-N 3.29Å; A382-K384 VanDerWaalsContact C-N 3.35Å; A382-K384 PolarHBondContact O-N 2.96Å; K384-M386 VanDerWaalsContact C-N 3.3Å |
| 385 | K | 94 | Very high | 95.1 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.1 | -67.5 | 169.8 | -176.1 | 173.3 | 0 | 110.8 | E381 A382 M383 N388 | E381-K385 WeakPolarHBondContact O-CG 3.48Å; E381-K385 PolarHBondContact O-N 2.97Å; A382-K385 WeakPolarHBondContact O-CB 3.33Å; A382-K385 PolarHBondContact O-N 3.2Å; A382-K385 VanDerWaalsContact O-N 3.15Å; M383-K385 VanDerWaalsContact C-N 3.29Å; M383-K385 PolarHBondContact O-N 3.33Å; K385-N388 WeakPolarHBondContact O-CB 3.48Å; K385-N388 PolarHBondContact O-N 3.37Å |
| 386 | M | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73 | -30.1 | -178.4 | -65.5 | -55.1 | 98 | 0 | 0 | 113.9 | V294 Y296 P310 V312 A382 M383 K384 N388 I389 L390 Y400 L403 | V294-M386 HydrophobicContact CG1-CB 3.98Å; V294-M386 HydrophobicContact CG1-CG 3.7Å; V294-M386 HydrophobicContact CG1-SD 3.81Å; V294-M386 HydrophobicContact CG2-CB 4.19Å; V294-M386 HydrophobicContact CG2-SD 4.27Å; Y296-M386 HydrophobicContact CE1-CG 4.09Å; Y296-M386 WeakPolarHBondContact OH-CB 3.1Å; P310-M386 HydrophobicContact CB-CG 3.63Å; P310-M386 HydrophobicContact CB-SD 3.68Å; P310-M386 HydrophobicContact CG-CG 4.03Å; P310-M386 HydrophobicContact CG-SD 4.11Å; V312-M386 HydrophobicContact CG2-SD 4.15Å; A382-M386 WeakPolarHBondContact O-CG 3.49Å; A382-M386 PolarHBondContact O-N 2.9Å; A382-M386 VanDerWaalsContact O-N 3.11Å; M383-M386 WeakPolarHBondContact O-CA 3.48Å; M383-M386 WeakPolarHBondContact O-CB 3.43Å; M383-M386 PolarHBondContact O-N 3.12Å; K384-M386 VanDerWaalsContact C-N 3.3Å; M386-N388 PolarHBondContact O-N 2.92Å; M386-I389 HydrophobicContact CE-CD1 3.47Å; M386-I389 VanDerWaalsContact CE-CD1 3.47Å; M386-I389 HydrophobicContact CE-CG1 4.45Å; M386-I389 WeakPolarHBondContact O-CA 2.97Å; M386-I389 WeakPolarHBondContact O-CB 3.3Å; M386-I389 PolarHBondContact O-N 3.32Å; M386-I389 HydrophobicContact SD-CD1 3.59Å; M386-I389 VanDerWaalsContact SD-CD1 3.59Å; M386-L390 WeakPolarHBondContact O-CG 3.3Å; M386-L390 PolarHBondContact O-N 2.84Å; M386-Y400 HydrophobicContact CE-CE1 4.25Å; M386-L403 HydrophobicContact CE-CD1 3.81Å; M386-L403 HydrophobicContact CE-CD2 3.78Å; M386-L403 HydrophobicContact CE-CG 4.45Å; M386-L403 HydrophobicContact SD-CD2 3.66Å |
| 387 | E | 95.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 62 Ų | 62 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -32.6 | 173.7 | -79.2 | -57 | 138.6 | 0 | 0 | 112.7 | R20 M383 L390 A391 | R20-E387 IonicContact CZ-OE2 3.31Å; R20-E387 VanDerWaalsContact CZ-OE2 3.26Å; R20-E387 VanDerWaalsContact NH1-CD 3.33Å; R20-E387 IonicContact NH1-OE1 2.78Å; R20-E387 PolarHBondContact NH1-OE1 2.87Å; R20-E387 IonicContact NH1-OE2 2.77Å; R20-E387 PolarHBondContact NH1-OE2 3.28Å; R20-E387 IonicContact NH2-OE2 2.93Å; R20-E387 PolarHBondContact NH2-OE2 3.1Å; M383-E387 PolarHBondContact O-N 3.16Å; E387-L390 PolarHBondContact O-N 3.09Å; E387-A391 VanDerWaalsContact O-CB 3.3Å; E387-A391 WeakPolarHBondContact O-CB 3.33Å; E387-A391 PolarHBondContact O-N 2.77Å |
| 388 | N | 92.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 63 Ų | 63 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.2 | -171.2 | 46.4 | 0 | 0 | 0 | 111.1 | K385 M386 L390 A391 V392 | K385-N388 WeakPolarHBondContact O-CB 3.48Å; K385-N388 PolarHBondContact O-N 3.37Å; M386-N388 PolarHBondContact O-N 2.92Å; N388-L390 VanDerWaalsContact C-N 3.33Å; N388-L390 PolarHBondContact O-N 3.29Å; N388-A391 PolarHBondContact O-N 2.58Å; N388-A391 VanDerWaalsContact O-N 3.1Å; N388-V392 VanDerWaalsContact O-CG2 3.31Å; N388-V392 WeakPolarHBondContact O-CG2 3.16Å; N388-V392 PolarHBondContact O-N 3.45Å; N388-V392 WeakPolarHBondContact OD1-CG2 3.49Å |
| 389 | I | 93.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.9 | -61.4 | 178.1 | 0 | 0 | 0 | 111 | P292 V294 V312 M386 A391 G393 V394 Y400 | P292-I389 HydrophobicContact CB-CG2 4.47Å; P292-I389 HydrophobicContact CG-CG2 3.32Å; V294-I389 HydrophobicContact CG2-CG2 4.37Å; V312-I389 HydrophobicContact CG2-CD1 4.19Å; M386-I389 HydrophobicContact CE-CD1 3.47Å; M386-I389 VanDerWaalsContact CE-CD1 3.47Å; M386-I389 HydrophobicContact CE-CG1 4.45Å; M386-I389 WeakPolarHBondContact O-CA 2.97Å; M386-I389 WeakPolarHBondContact O-CB 3.3Å; M386-I389 PolarHBondContact O-N 3.32Å; M386-I389 HydrophobicContact SD-CD1 3.59Å; M386-I389 VanDerWaalsContact SD-CD1 3.59Å; I389-A391 PolarHBondContact O-N 3.42Å; I389-G393 WeakPolarHBondContact O-CA 3.44Å; I389-G393 PolarHBondContact O-N 3.41Å; I389-V394 HydrophobicContact CG2-CG2 4.06Å; I389-Y400 HydrophobicContact CD1-CD1 3.74Å; I389-Y400 HydrophobicContact CD1-CE1 3.23Å; I389-Y400 HydrophobicContact CD1-CE2 4.2Å; I389-Y400 HydrophobicContact CD1-CG 4.4Å; I389-Y400 VanDerWaalsContact CD1-CZ 3.46Å; I389-Y400 HydrophobicContact CG1-CE1 4.03Å |
| 390 | L | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.9 | -16.7 | 177.6 | -69.3 | 167.8 | 0 | 0 | 0 | 113.4 | V284 P286 L291 V294 M386 E387 N388 | V284-L390 HydrophobicContact CB-CD1 4.03Å; V284-L390 HydrophobicContact CB-CD2 4.15Å; V284-L390 HydrophobicContact CG1-CD1 3.75Å; V284-L390 HydrophobicContact CG1-CD2 3.94Å; P286-L390 HydrophobicContact CG-CD2 3.75Å; L291-L390 WeakPolarHBondContact CD1-O 3.45Å; V294-L390 HydrophobicContact CB-CD2 4.29Å; V294-L390 HydrophobicContact CB-CG 4.47Å; V294-L390 HydrophobicContact CG2-CD1 4.21Å; V294-L390 HydrophobicContact CG2-CD2 3.74Å; V294-L390 HydrophobicContact CG2-CG 3.71Å; M386-L390 WeakPolarHBondContact O-CG 3.3Å; M386-L390 PolarHBondContact O-N 2.84Å; E387-L390 PolarHBondContact O-N 3.09Å; N388-L390 VanDerWaalsContact C-N 3.33Å; N388-L390 PolarHBondContact O-N 3.29Å |
| 391 | A | 93.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 63 Ų | 63 | 51% | 0.512 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -99.9 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E387 N388 I389 | E387-A391 VanDerWaalsContact O-CB 3.3Å; E387-A391 WeakPolarHBondContact O-CB 3.33Å; E387-A391 PolarHBondContact O-N 2.77Å; N388-A391 PolarHBondContact O-N 2.58Å; N388-A391 VanDerWaalsContact O-N 3.1Å; I389-A391 PolarHBondContact O-N 3.42Å |
| 392 | V | 93.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -121.2 | -0.8 | -171.2 | -52.4 | 0 | 0 | 0 | 0 | 114.2 | N388 Q395 | N388-V392 VanDerWaalsContact O-CG2 3.31Å; N388-V392 WeakPolarHBondContact O-CG2 3.16Å; N388-V392 PolarHBondContact O-N 3.45Å; N388-V392 WeakPolarHBondContact OD1-CG2 3.49Å; V392-Q395 PolarHBondContact O-NE2 3.42Å; V392-Q395 VanDerWaalsContact O-NE2 3.09Å |
| 393 | G | 93.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | trans | 79.3 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I389 Q395 | I389-G393 WeakPolarHBondContact O-CA 3.44Å; I389-G393 PolarHBondContact O-N 3.41Å; G393-Q395 PolarHBondContact O-N 3.47Å | ||
| 394 | V | 91.6 | Very high | 93.7 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | trans | -85.4 | 109.5 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | P292 V312 V314 I389 P397 Y400 | P292-V394 HydrophobicContact CB-CG2 4.32Å; P292-V394 HydrophobicContact CG-CG2 3.9Å; V312-V394 HydrophobicContact CG1-CG2 4.14Å; V314-V394 HydrophobicContact CG1-CG1 4.18Å; V314-V394 HydrophobicContact CG1-CG2 4.41Å; I389-V394 HydrophobicContact CG2-CG2 4.06Å; V394-P397 HydrophobicContact CG1-CB 4.09Å; V394-P397 HydrophobicContact CG1-CG 3.91Å; V394-Y400 HydrophobicContact CG1-CD2 3.7Å; V394-Y400 HydrophobicContact CG1-CE2 3.86Å | ||
| 395 | Q | 89.1 | Confident | 93.8 | Very high | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -85 | -41.5 | 178.3 | -61.6 | -63.2 | -42.9 | 0 | 0 | 112.4 | V392 G393 | V392-Q395 PolarHBondContact O-NE2 3.42Å; V392-Q395 VanDerWaalsContact O-NE2 3.09Å; G393-Q395 PolarHBondContact O-N 3.47Å |
| 396 | Q | 91.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | trans | -125.6 | 94.3 | 178.3 | -66.2 | -173.3 | 9.8 | 0 | 0 | 108.7 | D398 D399 Y400 | Q396-D398 PolarHBondContact O-N 3.46Å; Q396-D399 WeakPolarHBondContact CB-OD2 2.95Å; Q396-D399 WeakPolarHBondContact O-CB 2.81Å; Q396-D399 PolarHBondContact O-N 3.02Å; Q396-D399 PolarHBondContact OE1-OD2 3.07Å; Q396-Y400 WeakPolarHBondContact O-CD2 3.36Å | ||
| 397 | P | 90.9 | Very high | 94 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -58.9 | -32.4 | -176 | -26.5 | 35 | 0 | 0 | 0 | 114.4 | V314 V394 D399 Y400 | V314-P397 HydrophobicContact CB-CB 4.2Å; V314-P397 HydrophobicContact CG1-CB 4.3Å; V394-P397 HydrophobicContact CG1-CB 4.09Å; V394-P397 HydrophobicContact CG1-CG 3.91Å; P397-D399 PolarHBondContact O-N 3.14Å; P397-Y400 PolarHBondContact O-N 3.15Å |
| 398 | D | 92.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -63.3 | -23.7 | -179.8 | -68.5 | -27 | 0 | 0 | 0 | 112.8 | Q396 Y400 V401 | Q396-D398 PolarHBondContact O-N 3.46Å; D398-Y400 PolarHBondContact O-N 2.91Å; D398-V401 WeakPolarHBondContact O-CG2 3.4Å |
| 399 | D | 91.9 | Very high | 94.3 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -69.7 | -15.8 | 176.3 | -67.2 | -12.3 | 0 | 0 | 0 | 112.6 | Q396 P397 | Q396-D399 WeakPolarHBondContact CB-OD2 2.95Å; Q396-D399 WeakPolarHBondContact O-CB 2.81Å; Q396-D399 PolarHBondContact O-N 3.02Å; Q396-D399 PolarHBondContact OE1-OD2 3.07Å; P397-D399 PolarHBondContact O-N 3.14Å |
| 400 | Y | 94.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -113.7 | -1.4 | -173.4 | -57 | -71.2 | 0 | 0 | 0 | 113.9 | M386 I389 V394 Q396 P397 D398 N402 L403 | M386-Y400 HydrophobicContact CE-CE1 4.25Å; I389-Y400 HydrophobicContact CD1-CD1 3.74Å; I389-Y400 HydrophobicContact CD1-CE1 3.23Å; I389-Y400 HydrophobicContact CD1-CE2 4.2Å; I389-Y400 HydrophobicContact CD1-CG 4.4Å; I389-Y400 VanDerWaalsContact CD1-CZ 3.46Å; I389-Y400 HydrophobicContact CG1-CE1 4.03Å; V394-Y400 HydrophobicContact CG1-CD2 3.7Å; V394-Y400 HydrophobicContact CG1-CE2 3.86Å; Q396-Y400 WeakPolarHBondContact O-CD2 3.36Å; P397-Y400 PolarHBondContact O-N 3.15Å; D398-Y400 PolarHBondContact O-N 2.91Å; Y400-N402 PolarHBondContact O-N 3.38Å; Y400-L403 HydrophobicContact CD1-CD1 4.4Å; Y400-L403 HydrophobicContact CD1-CD2 4.13Å; Y400-L403 VanDerWaalsContact O-CB 3.29Å; Y400-L403 WeakPolarHBondContact O-CB 3.37Å; Y400-L403 PolarHBondContact O-N 2.93Å; Y400-L403 VanDerWaalsContact O-N 3.09Å |
| 401 | V | 94.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | V314 R318 D398 | V314-V401 HydrophobicContact CG2-CG1 4.02Å; R318-V401 PolarHBondContact N-O 3.47Å; D398-V401 WeakPolarHBondContact O-CG2 3.4Å |
| 402 | N | 94.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 10 | 176 | -53.8 | -50.9 | 0 | 0 | 0 | 112.6 | R318 Y400 F404 S405 E406 | R318-N402 VanDerWaalsContact CD-OD1 3.27Å; R318-N402 WeakPolarHBondContact CD-OD1 2.91Å; R318-N402 PolarHBondContact NH1-OD1 2.96Å; Y400-N402 PolarHBondContact O-N 3.38Å; N402-F404 VanDerWaalsContact C-N 3.26Å; N402-F404 PolarHBondContact O-N 3.27Å; N402-F404 VanDerWaalsContact O-N 3.12Å; N402-S405 PolarHBondContact O-N 3.09Å; N402-E406 HydrophobicContact CB-CG 3.98Å; N402-E406 WeakPolarHBondContact O-CG 3.18Å; N402-E406 PolarHBondContact O-N 3.29Å |
| 403 | L | 96.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -48 | -48.5 | -170.8 | 173.5 | 66 | 0 | 0 | 0 | 112.7 | P310 V312 M386 Y400 C407 | P310-L403 HydrophobicContact CB-CD2 4.04Å; P310-L403 HydrophobicContact CB-CG 4.48Å; P310-L403 HydrophobicContact CG-CD1 4.1Å; P310-L403 HydrophobicContact CG-CD2 4.06Å; P310-L403 HydrophobicContact CG-CG 4Å; V312-L403 HydrophobicContact CG2-CD2 4.04Å; M386-L403 HydrophobicContact CE-CD1 3.81Å; M386-L403 HydrophobicContact CE-CD2 3.78Å; M386-L403 HydrophobicContact CE-CG 4.45Å; M386-L403 HydrophobicContact SD-CD2 3.66Å; Y400-L403 HydrophobicContact CD1-CD1 4.4Å; Y400-L403 HydrophobicContact CD1-CD2 4.13Å; Y400-L403 VanDerWaalsContact O-CB 3.29Å; Y400-L403 WeakPolarHBondContact O-CB 3.37Å; Y400-L403 PolarHBondContact O-N 2.93Å; Y400-L403 VanDerWaalsContact O-N 3.09Å; L403-C407 PolarHBondContact O-N 3.33Å; L403-C407 VanDerWaalsContact O-N 3.14Å |
| 404 | F | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -51.7 | 179.5 | -174.3 | -88.6 | 0 | 0 | 0 | 111.5 | V37 F297 K309 P310 F311 L320 T323 N402 E406 C407 V408 | V37-F404 HydrophobicContact CB-CE1 4.27Å; V37-F404 HydrophobicContact CB-CZ 3.81Å; V37-F404 HydrophobicContact CG1-CE1 4.25Å; V37-F404 HydrophobicContact CG1-CE2 4Å; V37-F404 HydrophobicContact CG1-CZ 3.7Å; V37-F404 HydrophobicContact CG2-CZ 4.11Å; F297-F404 HydrophobicContact CB-CE2 4.06Å; K309-F404 HydrophobicContact CB-CD2 3.79Å; K309-F404 HydrophobicContact CB-CE2 3.53Å; K309-F404 HydrophobicContact CB-CZ 4.2Å; K309-F404 HydrophobicContact CD-CE2 4.39Å; K309-F404 HydrophobicContact CD-CZ 4.22Å; P310-F404 WeakPolarHBondContact O-CA 3.45Å; F311-F404 HydrophobicContact CB-CD2 4.32Å; F311-F404 HydrophobicContact CD2-CB 4.28Å; L320-F404 HydrophobicContact CB-CD1 4.42Å; L320-F404 HydrophobicContact CD1-CD1 3.95Å; L320-F404 HydrophobicContact CD1-CE1 4.25Å; L320-F404 HydrophobicContact CD1-CG 4.29Å; L320-F404 HydrophobicContact CD2-CB 4.06Å; L320-F404 HydrophobicContact CD2-CD1 3.92Å; L320-F404 HydrophobicContact CD2-CG 4.27Å; L320-F404 HydrophobicContact CG-CD1 4.31Å; T323-F404 HydrophobicContact CG2-CE1 3.84Å; T323-F404 HydrophobicContact CG2-CZ 4.24Å; N402-F404 VanDerWaalsContact C-N 3.26Å; N402-F404 PolarHBondContact O-N 3.27Å; N402-F404 VanDerWaalsContact O-N 3.12Å; F404-E406 VanDerWaalsContact C-N 3.34Å; F404-E406 PolarHBondContact O-N 3.3Å; F404-C407 WeakPolarHBondContact O-CB 3.49Å; F404-C407 PolarHBondContact O-N 2.85Å; F404-C407 VanDerWaalsContact O-N 3.17Å; F404-V408 HydrophobicContact CD1-CG2 3.94Å; F404-V408 HydrophobicContact CE1-CG2 3.64Å; F404-V408 HydrophobicContact CZ-CG2 4.3Å; F404-V408 WeakPolarHBondContact O-CG2 3.42Å; F404-V408 PolarHBondContact O-N 3.48Å |
| 405 | S | 97.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 179.5 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | E322 N402 C407 V408 Q409 | E322-S405 PolarHBondContact OE2-OG 2.98Å; N402-S405 PolarHBondContact O-N 3.09Å; S405-C407 VanDerWaalsContact C-N 3.34Å; S405-C407 PolarHBondContact O-N 2.95Å; S405-V408 WeakPolarHBondContact O-CB 3.39Å; S405-V408 PolarHBondContact O-N 3.05Å; S405-Q409 WeakPolarHBondContact O-CG 3.26Å; S405-Q409 PolarHBondContact O-N 2.85Å |
| 406 | E | 96.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.8 | -74.1 | 174.9 | -171.4 | 0 | 0 | 111.2 | N402 F404 V408 Q409 E410 | N402-E406 HydrophobicContact CB-CG 3.98Å; N402-E406 WeakPolarHBondContact O-CG 3.18Å; N402-E406 PolarHBondContact O-N 3.29Å; F404-E406 VanDerWaalsContact C-N 3.34Å; F404-E406 PolarHBondContact O-N 3.3Å; E406-V408 VanDerWaalsContact C-N 3.33Å; E406-V408 PolarHBondContact O-N 2.96Å; E406-Q409 PolarHBondContact O-N 3.44Å; E406-Q409 VanDerWaalsContact O-N 3.14Å; E406-E410 WeakPolarHBondContact O-CG 3.39Å; E406-E410 PolarHBondContact O-N 3.06Å |
| 407 | C | 97.8 | Very high | 94 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.4 | -160.5 | 0 | 0 | 0 | 0 | 112.1 | K309 L403 F404 S405 E410 E411 | K309-C407 HydrophobicContact CB-CB 4.2Å; K309-C407 HydrophobicContact CG-CB 4.04Å; L403-C407 PolarHBondContact O-N 3.33Å; L403-C407 VanDerWaalsContact O-N 3.14Å; F404-C407 WeakPolarHBondContact O-CB 3.49Å; F404-C407 PolarHBondContact O-N 2.85Å; F404-C407 VanDerWaalsContact O-N 3.17Å; S405-C407 VanDerWaalsContact C-N 3.34Å; S405-C407 PolarHBondContact O-N 2.95Å; C407-E410 PolarHBondContact O-N 2.94Å; C407-E411 PolarHBondContact O-N 3.25Å |
| 408 | V | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 170.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | K309 E322 T323 L350 F404 S405 E406 E410 E411 L412 | K309-V408 HydrophobicContact CD-CB 4.38Å; K309-V408 HydrophobicContact CD-CG2 3.48Å; K309-V408 VanDerWaalsContact CD-CG2 3.48Å; E322-V408 HydrophobicContact CB-CB 4.37Å; E322-V408 HydrophobicContact CB-CG1 3.57Å; E322-V408 HydrophobicContact CG-CG1 4.02Å; T323-V408 HydrophobicContact CG2-CG2 4.34Å; L350-V408 HydrophobicContact CB-CG1 4.2Å; L350-V408 HydrophobicContact CD1-CG1 4.17Å; L350-V408 HydrophobicContact CD2-CG1 4.05Å; L350-V408 HydrophobicContact CD2-CG2 4.32Å; L350-V408 HydrophobicContact CG-CG1 4.35Å; F404-V408 HydrophobicContact CD1-CG2 3.94Å; F404-V408 HydrophobicContact CE1-CG2 3.64Å; F404-V408 HydrophobicContact CZ-CG2 4.3Å; F404-V408 WeakPolarHBondContact O-CG2 3.42Å; F404-V408 PolarHBondContact O-N 3.48Å; S405-V408 WeakPolarHBondContact O-CB 3.39Å; S405-V408 PolarHBondContact O-N 3.05Å; E406-V408 VanDerWaalsContact C-N 3.33Å; E406-V408 PolarHBondContact O-N 2.96Å; V408-E410 VanDerWaalsContact C-N 3.34Å; V408-E410 PolarHBondContact O-N 3.05Å; V408-E411 PolarHBondContact O-N 2.67Å; V408-L412 HydrophobicContact CG1-CD1 4.12Å; V408-L412 HydrophobicContact CG1-CG 4.34Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.46Å; V408-L412 PolarHBondContact O-N 3.32Å |
| 409 | Q | 97.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -35.8 | 178.3 | -64.8 | -58.2 | -30.6 | 0 | 0 | 112.3 | E322 S405 E406 S413 | E322-Q409 PolarHBondContact OE1-NE2 3.07Å; S405-Q409 WeakPolarHBondContact O-CG 3.26Å; S405-Q409 PolarHBondContact O-N 2.85Å; E406-Q409 PolarHBondContact O-N 3.44Å; E406-Q409 VanDerWaalsContact O-N 3.14Å; Q409-S413 WeakPolarHBondContact O-CB 3.36Å; Q409-S413 PolarHBondContact O-N 3.32Å; Q409-S413 PolarHBondContact O-OG 3.1Å |
| 410 | E | 97.2 | Very high | 92.7 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 172.4 | -71.9 | 177.6 | 171.7 | 0 | 0 | 111.1 | L378 E406 C407 V408 S413 V414 | L378-E410 HydrophobicContact CD1-CB 3.7Å; L378-E410 HydrophobicContact CD1-CG 4.45Å; L378-E410 WeakPolarHBondContact CD1-OE2 3.48Å; L378-E410 HydrophobicContact CD2-CB 4.1Å; E406-E410 WeakPolarHBondContact O-CG 3.39Å; E406-E410 PolarHBondContact O-N 3.06Å; C407-E410 PolarHBondContact O-N 2.94Å; V408-E410 VanDerWaalsContact C-N 3.34Å; V408-E410 PolarHBondContact O-N 3.05Å; E410-S413 WeakPolarHBondContact O-CB 2.87Å; E410-S413 PolarHBondContact O-N 2.96Å; E410-V414 PolarHBondContact O-N 3.42Å |
| 411 | E | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 174.5 | 176.6 | 171.4 | -156.1 | 0 | 0 | 112.1 | V307 K309 L350 L375 L378 C407 V408 S413 V414 Y415 | V307-E411 HydrophobicContact CG2-CG 4.39Å; K309-E411 IonicContact NZ-OE1 3.26Å; K309-E411 IonicContact NZ-OE2 2.68Å; K309-E411 PolarHBondContact NZ-OE2 3.28Å; L350-E411 HydrophobicContact CD1-CG 4.36Å; L375-E411 HydrophobicContact CD2-CG 4.08Å; L378-E411 HydrophobicContact CD2-CB 3.94Å; C407-E411 PolarHBondContact O-N 3.25Å; V408-E411 PolarHBondContact O-N 2.67Å; E411-S413 PolarHBondContact O-N 2.97Å; E411-V414 WeakPolarHBondContact O-CA 3.37Å; E411-V414 WeakPolarHBondContact O-CB 3.39Å; E411-V414 PolarHBondContact O-N 3.46Å; E411-Y415 HydrophobicContact CG-CD1 4.39Å; E411-Y415 HydrophobicContact CG-CE1 3.73Å; E411-Y415 HydrophobicContact CG-CE2 3.97Å; E411-Y415 VanDerWaalsContact CG-CZ 3.49Å; E411-Y415 WeakPolarHBondContact O-CD1 3.44Å; E411-Y415 PolarHBondContact O-N 2.92Å; E411-Y415 PolarHBondContact OE1-OH 3.34Å |
| 412 | L | 96 | Very high | 92.5 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -32.3 | 175 | -70.4 | 176.7 | 0 | 0 | 0 | 112.4 | L350 K353 V408 Y415 S416 | L350-L412 HydrophobicContact CD1-CD2 3.87Å; L350-L412 HydrophobicContact CD1-CG 4.26Å; K353-L412 HydrophobicContact CB-CD2 3.76Å; K353-L412 HydrophobicContact CG-CD2 3.77Å; V408-L412 HydrophobicContact CG1-CD1 4.12Å; V408-L412 HydrophobicContact CG1-CG 4.34Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.46Å; V408-L412 PolarHBondContact O-N 3.32Å; L412-Y415 HydrophobicContact CD2-CD2 4Å; L412-Y415 HydrophobicContact CD2-CE2 4.4Å; L412-Y415 PolarHBondContact O-N 3.29Å; L412-S416 PolarHBondContact O-N 3.39Å; L412-S416 VanDerWaalsContact O-N 3.13Å; L412-S416 PolarHBondContact O-OG 3.47Å |
| 413 | S | 94.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.5 | -35.5 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | Q409 E410 E411 S416 K417 | Q409-S413 WeakPolarHBondContact O-CB 3.36Å; Q409-S413 PolarHBondContact O-N 3.32Å; Q409-S413 PolarHBondContact O-OG 3.1Å; E410-S413 WeakPolarHBondContact O-CB 2.87Å; E410-S413 PolarHBondContact O-N 2.96Å; E411-S413 PolarHBondContact O-N 2.97Å; S413-S416 PolarHBondContact O-N 3.37Å; S413-K417 WeakPolarHBondContact O-CD 3.4Å; S413-K417 VanDerWaalsContact O-CG 3.24Å; S413-K417 WeakPolarHBondContact O-CG 3.45Å; S413-K417 PolarHBondContact O-N 2.9Å |
| 414 | V | 93.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 171 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | N374 L375 E410 E411 S416 K417 T418 | N374-V414 HydrophobicContact CB-CG1 3.66Å; N374-V414 HydrophobicContact CB-CG2 4.47Å; L375-V414 HydrophobicContact CD2-CB 4.1Å; L375-V414 HydrophobicContact CD2-CG1 3.79Å; L375-V414 HydrophobicContact CG-CG1 4.27Å; E410-V414 PolarHBondContact O-N 3.42Å; E411-V414 WeakPolarHBondContact O-CA 3.37Å; E411-V414 WeakPolarHBondContact O-CB 3.39Å; E411-V414 PolarHBondContact O-N 3.46Å; V414-S416 PolarHBondContact O-N 2.87Å; V414-S416 VanDerWaalsContact O-N 3.17Å; V414-K417 PolarHBondContact O-N 2.8Å; V414-K417 VanDerWaalsContact O-N 3.11Å; V414-T418 PolarHBondContact O-N 3.06Å; V414-T418 PolarHBondContact O-OG1 3.19Å; V414-T418 VanDerWaalsContact O-OG1 3.09Å |
| 415 | Y | 91.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56 | -34.7 | 179.3 | -63.7 | -10.4 | 0 | 0 | 0 | 113.2 | L350 K353 H354 I357 L375 E411 L412 T418 | L350-Y415 HydrophobicContact CD1-CE2 4Å; K353-Y415 HydrophobicContact CB-CD2 3.79Å; K353-Y415 HydrophobicContact CB-CE2 4.22Å; H354-Y415 HydrophobicContact CB-CE2 4.22Å; H354-Y415 PolarHBondContact ND1-OH 3.49Å; I357-Y415 HydrophobicContact CB-CD1 4.26Å; I357-Y415 HydrophobicContact CB-CE1 4.33Å; I357-Y415 HydrophobicContact CB-CG 4.48Å; I357-Y415 HydrophobicContact CD1-CD1 4.19Å; I357-Y415 HydrophobicContact CD1-CG 4.08Å; I357-Y415 HydrophobicContact CG1-CD1 3.72Å; I357-Y415 HydrophobicContact CG1-CD2 3.94Å; I357-Y415 HydrophobicContact CG1-CE1 4.24Å; I357-Y415 HydrophobicContact CG1-CE2 4.4Å; I357-Y415 HydrophobicContact CG1-CG 3.55Å; I357-Y415 HydrophobicContact CG2-CD1 3.96Å; I357-Y415 HydrophobicContact CG2-CE1 3.91Å; L375-Y415 HydrophobicContact CD1-CE1 4.07Å; L375-Y415 HydrophobicContact CD2-CD1 4.22Å; L375-Y415 HydrophobicContact CD2-CE1 3.7Å; L375-Y415 HydrophobicContact CG-CE1 4.49Å; E411-Y415 HydrophobicContact CG-CD1 4.39Å; E411-Y415 HydrophobicContact CG-CE1 3.73Å; E411-Y415 HydrophobicContact CG-CE2 3.97Å; E411-Y415 VanDerWaalsContact CG-CZ 3.49Å; E411-Y415 WeakPolarHBondContact O-CD1 3.44Å; E411-Y415 PolarHBondContact O-N 2.92Å; E411-Y415 PolarHBondContact OE1-OH 3.34Å; L412-Y415 HydrophobicContact CD2-CD2 4Å; L412-Y415 HydrophobicContact CD2-CE2 4.4Å; L412-Y415 PolarHBondContact O-N 3.29Å; Y415-T418 PolarHBondContact O-OG1 2.9Å |
| 416 | S | 86 | Confident | 91.3 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -82 | -20.4 | -177.4 | -56.4 | 0 | 0 | 0 | 0 | 114.1 | L412 S413 V414 | L412-S416 PolarHBondContact O-N 3.39Å; L412-S416 VanDerWaalsContact O-N 3.13Å; L412-S416 PolarHBondContact O-OG 3.47Å; S413-S416 PolarHBondContact O-N 3.37Å; V414-S416 PolarHBondContact O-N 2.87Å; V414-S416 VanDerWaalsContact O-N 3.17Å |
| 417 | K | 78.5 | Confident | 90.8 | Very high | 176 Ų | 176 | 50.3 Ų | 50.3 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -90 | -13.3 | -177.3 | -74.5 | 170.7 | -174.5 | 174 | 0 | 113.5 | S413 V414 | S413-K417 WeakPolarHBondContact O-CD 3.4Å; S413-K417 VanDerWaalsContact O-CG 3.24Å; S413-K417 WeakPolarHBondContact O-CG 3.45Å; S413-K417 PolarHBondContact O-N 2.9Å; V414-K417 PolarHBondContact O-N 2.8Å; V414-K417 VanDerWaalsContact O-N 3.11Å |
| 418 | T | 61.5 | Low | 90.2 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | trans | -103.1 | 0 | -176.3 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | R367 I371 V414 Y415 | R367-T418 PolarHBondContact NE-O 3.42Å; R367-T418 PolarHBondContact NH2-O 2.65Å; R367-T418 PolarHBondContact NH2-OXT 3.42Å; I371-T418 HydrophobicContact CB-CG2 4.48Å; I371-T418 HydrophobicContact CD1-CG2 4.44Å; I371-T418 VanDerWaalsContact CG1-CB 3.45Å; I371-T418 HydrophobicContact CG1-CG2 3.44Å; I371-T418 VanDerWaalsContact CG1-CG2 3.44Å; V414-T418 PolarHBondContact O-N 3.06Å; V414-T418 PolarHBondContact O-OG1 3.19Å; V414-T418 VanDerWaalsContact O-OG1 3.09Å; Y415-T418 PolarHBondContact O-OG1 2.9Å |
Retrieved 418 of 418 residues in 1120 ms
(Link to these results)