| 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 | 65.7 | Low | 92.2 | Very high | 105 Ų | 105 | 73 Ų | 73 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | 0 | 151.3 | 0 | -170.4 | -178.3 | -70 | 0 | 0 | 109.8 | F4 V292 T295 T296 | M1-F4 HydrophobicContact SD-CE1 3.79Å; M1-F4 HydrophobicContact SD-CZ 4.22Å; M1-V292 PolarHBondContact N-O 3.04Å; M1-T295 WeakPolarHBondContact CB-O 3.28Å; M1-T295 PolarHBondContact N-O 3.43Å; M1-T295 VanDerWaalsContact N-O 3.14Å; M1-T296 HydrophobicContact CB-CG2 4.06Å; M1-T296 HydrophobicContact CG-CG2 4.13Å; M1-T296 HydrophobicContact SD-CG2 3.96Å | |||
| 2 | E | 80.3 | Confident | 92.7 | Very high | 177 Ų | 177 | 72.8 Ų | 72.8 | 83% | 0.827 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 147 | 169.3 | -73.8 | -176.2 | 172 | 0 | 0 | 110.5 | T296 | E2-T296 WeakPolarHBondContact O-CG2 3.37Š|
| 3 | K | 91.2 | Very high | 93.1 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 52% | 0.522 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144.5 | 176.5 | -67.8 | -177.8 | 178.2 | -178.5 | 0 | 110.2 | A5 | K3-A5 PolarHBondContact O-N 3.18Š|
| 4 | F | 96.3 | Very high | 93.4 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 122.5 | 178.1 | -56.5 | -50.8 | 0 | 0 | 0 | 110.8 | M1 P181 Y182 R185 T296 | M1-F4 HydrophobicContact SD-CE1 3.79Å; M1-F4 HydrophobicContact SD-CZ 4.22Å; F4-P181 WeakPolarHBondContact CE2-O 3.13Å; F4-Y182 WeakPolarHBondContact CD2-O 3.41Å; F4-Y182 WeakPolarHBondContact CE2-O 3.16Å; F4-R185 HydrophobicContact CD2-CG 4.13Å; F4-R185 HydrophobicContact CE1-CB 4.48Å; F4-R185 HydrophobicContact CE1-CG 4.31Å; F4-R185 HydrophobicContact CE2-CB 4.33Å; F4-R185 HydrophobicContact CE2-CG 3.64Å; F4-R185 HydrophobicContact CZ-CB 3.97Å; F4-R185 HydrophobicContact CZ-CG 3.75Å; F4-T296 HydrophobicContact CD1-CG2 4.11Å; F4-T296 HydrophobicContact CD2-CG2 4.14Å; F4-T296 HydrophobicContact CE1-CG2 3.74Å; F4-T296 HydrophobicContact CE2-CG2 3.77Å; F4-T296 HydrophobicContact CG-CG2 4.3Å; F4-T296 HydrophobicContact CZ-CG2 3.55Å |
| 5 | A | 94.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 146.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K3 F7 | K3-A5 PolarHBondContact O-N 3.18Å; A5-F7 PolarHBondContact O-N 3.07Å |
| 6 | H | 96.2 | Very high | 93.8 | Very high | 138 Ų | 138 | 64.8 Ų | 64.8 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 0.2 | 176.2 | -51.1 | -64.8 | 0 | 0 | 0 | 117.6 | A8 T9 D10 | H6-A8 VanDerWaalsContact C-N 3.3Å; H6-A8 PolarHBondContact O-N 3.26Å; H6-A8 VanDerWaalsContact O-N 3.08Å; H6-T9 WeakPolarHBondContact O-CA 3.47Å; H6-T9 WeakPolarHBondContact O-CB 3.31Å; H6-T9 PolarHBondContact O-N 3.21Å; H6-D10 PolarHBondContact O-N 2.96Å |
| 7 | F | 98.1 | Very high | 94 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 2% | 0.022 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -48.7 | -46.5 | -175.3 | -171.6 | -76.6 | 0 | 0 | 0 | 114.3 | A5 D10 A11 L67 P181 Y182 L250 H251 | A5-F7 PolarHBondContact O-N 3.07Å; F7-D10 PolarHBondContact O-N 2.97Å; F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.22Å; F7-L67 HydrophobicContact CD1-CD2 4.18Å; F7-L67 HydrophobicContact CD2-CD2 4.1Å; F7-L67 HydrophobicContact CE1-CD1 4.44Å; F7-L67 HydrophobicContact CE1-CD2 4Å; F7-L67 HydrophobicContact CE2-CB 3.86Å; F7-L67 HydrophobicContact CE2-CD2 3.91Å; F7-L67 HydrophobicContact CE2-CG 4.33Å; F7-L67 HydrophobicContact CG-CD2 4.23Å; F7-L67 HydrophobicContact CZ-CB 4.08Å; F7-L67 HydrophobicContact CZ-CD1 4.06Å; F7-L67 HydrophobicContact CZ-CD2 3.87Å; F7-L67 HydrophobicContact CZ-CG 4.22Å; F7-P181 HydrophobicContact CE2-CB 4.05Å; F7-P181 HydrophobicContact CE2-CG 4.35Å; F7-P181 WeakPolarHBondContact CE2-O 3.19Å; F7-P181 HydrophobicContact CZ-CB 4.4Å; F7-P181 HydrophobicContact CZ-CG 4.21Å; F7-Y182 AromaticContact CD1-CD2 3.48Å; F7-Y182 HydrophobicContact CD1-CD2 3.48Å; F7-Y182 VanDerWaalsContact CD1-CD2 3.48Å; F7-Y182 HydrophobicContact CD1-CE2 4.01Å; F7-Y182 HydrophobicContact CD2-CD2 4.25Å; F7-Y182 AromaticContact CE1-CD2 3.51Å; F7-Y182 HydrophobicContact CE1-CD2 3.51Å; F7-Y182 HydrophobicContact CE1-CE2 4.4Å; F7-Y182 HydrophobicContact CE1-CG 4.25Å; F7-Y182 HydrophobicContact CE2-CD2 4.28Å; F7-Y182 AromaticContact CG-CD2 3.88Å; F7-Y182 HydrophobicContact CG-CD2 3.88Å; F7-Y182 HydrophobicContact CG-CE2 4.38Å; F7-Y182 AromaticContact CZ-CD2 3.92Å; F7-Y182 HydrophobicContact CZ-CD2 3.92Å; F7-Y182 HydrophobicContact CZ-CG 4.35Å; F7-L250 HydrophobicContact CE1-CD2 4.1Å; F7-L250 HydrophobicContact CE1-CG 4.42Å; F7-L250 HydrophobicContact CZ-CD2 3.85Å; F7-H251 HydrophobicContact CD1-CB 4.12Å; F7-H251 HydrophobicContact CE1-CB 4.35Å |
| 8 | A | 97.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H6 L12 H251 | H6-A8 VanDerWaalsContact C-N 3.3Å; H6-A8 PolarHBondContact O-N 3.26Å; H6-A8 VanDerWaalsContact O-N 3.08Å; A8-L12 VanDerWaalsContact O-CG 3.26Å; A8-L12 WeakPolarHBondContact O-CG 3.42Å; A8-L12 PolarHBondContact O-N 3.27Å; A8-H251 HydrophobicContact CB-CB 4.29Å |
| 9 | T | 98.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 68.6 Ų | 68.6 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 176 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | H6 A11 L12 H13 | H6-T9 WeakPolarHBondContact O-CA 3.47Å; H6-T9 WeakPolarHBondContact O-CB 3.31Å; H6-T9 PolarHBondContact O-N 3.21Å; T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 3.14Å; T9-L12 PolarHBondContact O-N 3.39Å; T9-H13 PolarHBondContact O-CD2 3.49Å; T9-H13 VanDerWaalsContact O-CD2 3.3Å; T9-H13 PolarHBondContact O-N 3.41Å |
| 10 | D | 98.2 | Very high | 94.2 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | -179.7 | -62.9 | -19 | 0 | 0 | 0 | 111.3 | H6 F7 L12 H13 V14 L67 | H6-D10 PolarHBondContact O-N 2.96Å; F7-D10 PolarHBondContact O-N 2.97Å; D10-L12 PolarHBondContact O-N 3.21Å; D10-H13 PolarHBondContact O-N 3.3Å; D10-V14 HydrophobicContact CB-CG2 3.97Å; D10-V14 PolarHBondContact O-N 2.88Å; D10-L67 HydrophobicContact CB-CD2 4.11Å |
| 11 | A | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -30.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F7 T9 L67 I247 K248 | F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.22Å; T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 3.14Å; A11-L67 HydrophobicContact CB-CD1 4.3Å; A11-L67 HydrophobicContact CB-CD2 3.89Å; A11-I247 HydrophobicContact CB-CG2 3.98Å; A11-K248 VanDerWaalsContact O-CD 3.23Å; A11-K248 WeakPolarHBondContact O-CD 3.32Å; A11-K248 VanDerWaalsContact O-CE 3.25Å; A11-K248 WeakPolarHBondContact O-CE 2.95Å |
| 12 | L | 97.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 66.4 Ų | 66.4 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -86 | -34.9 | -178.6 | -69 | 171.8 | 0 | 0 | 0 | 113.4 | A8 T9 D10 Q16 K248 | A8-L12 VanDerWaalsContact O-CG 3.26Å; A8-L12 WeakPolarHBondContact O-CG 3.42Å; A8-L12 PolarHBondContact O-N 3.27Å; T9-L12 PolarHBondContact O-N 3.39Å; D10-L12 PolarHBondContact O-N 3.21Å; L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-K248 HydrophobicContact CD2-CB 3.83Å; L12-K248 HydrophobicContact CD2-CD 3.73Å; L12-K248 HydrophobicContact CD2-CG 4.33Å; L12-K248 PolarHBondContact O-NZ 3.37Å |
| 13 | H | 98.1 | Very high | 96.1 | Very high | 118 Ų | 118 | 65.3 Ų | 65.3 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -117.4 | -33.6 | -163.7 | -68.3 | -73.9 | 0 | 0 | 0 | 115.6 | T9 D10 G15 Q16 | T9-H13 PolarHBondContact O-CD2 3.49Å; T9-H13 VanDerWaalsContact O-CD2 3.3Å; T9-H13 PolarHBondContact O-N 3.41Å; D10-H13 PolarHBondContact O-N 3.3Å; H13-G15 PolarHBondContact O-N 3.17Å; H13-Q16 WeakPolarHBondContact O-CB 3.17Å; H13-Q16 PolarHBondContact O-N 2.92Å |
| 14 | V | 97.8 | Very high | 96.3 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 127.1 | -172.7 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | D10 Q16 C63 | D10-V14 HydrophobicContact CB-CG2 3.97Å; D10-V14 PolarHBondContact O-N 2.88Å; V14-Q16 PolarHBondContact O-N 2.57Å; V14-Q16 PolarHBondContact O-NE2 3.22Å; V14-C63 WeakPolarHBondContact O-CB 3.27Å |
| 15 | G | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H13 E17 Q20 C59 | H13-G15 PolarHBondContact O-N 3.17Å; G15-E17 WeakPolarHBondContact CA-OE2 3.32Å; G15-E17 PolarHBondContact N-OE1 3.08Å; G15-E17 PolarHBondContact N-OE2 2.85Å; G15-E17 VanDerWaalsContact N-OE2 3.15Å; G15-Q20 PolarHBondContact O-NE2 2.96Å; G15-C59 VanDerWaalsContact O-CB 3.26Å; G15-C59 WeakPolarHBondContact O-CB 3.21Å; G15-C59 PolarHBondContact O-SG 3.02Å |
| 16 | Q | 96.9 | Very high | 96.3 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | trans | -108.9 | 10.2 | -178.2 | -39.8 | -67.9 | -63.2 | 0 | 0 | 112.4 | L12 H13 V14 P28 N244 | L12-Q16 WeakPolarHBondContact O-CG 3.42Å; H13-Q16 WeakPolarHBondContact O-CB 3.17Å; H13-Q16 PolarHBondContact O-N 2.92Å; V14-Q16 PolarHBondContact O-N 2.57Å; V14-Q16 PolarHBondContact O-NE2 3.22Å; Q16-P28 HydrophobicContact CB-CG 4.25Å; Q16-P28 VanDerWaalsContact OE1-CD 3.26Å; Q16-N244 VanDerWaalsContact NE2-CG 3.34Å; Q16-N244 PolarHBondContact NE2-ND2 3.16Å; Q16-N244 PolarHBondContact NE2-OD1 3.33Å; Q16-N244 PolarHBondContact OE1-ND2 2.98Å | ||
| 17 | E | 96.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | trans | -57 | 124.1 | -173.7 | -63.5 | 76.3 | -168.5 | 0 | 0 | 110.2 | G15 D19 Q20 | G15-E17 WeakPolarHBondContact CA-OE2 3.32Å; G15-E17 PolarHBondContact N-OE1 3.08Å; G15-E17 PolarHBondContact N-OE2 2.85Å; G15-E17 VanDerWaalsContact N-OE2 3.15Å; E17-D19 PolarHBondContact O-N 2.97Å; E17-Q20 WeakPolarHBondContact O-CG 3.17Å; E17-Q20 PolarHBondContact O-N 3.08Å; E17-Q20 PolarHBondContact O-NE2 2.97Å | ||
| 18 | P | 96.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -61.6 | -31 | -177.3 | -25.3 | 34.2 | 0 | 0 | 0 | 113.3 | Q20 W21 H24 | P18-Q20 PolarHBondContact O-N 3.29Å; P18-Q20 VanDerWaalsContact O-N 3.07Å; P18-W21 PolarHBondContact O-N 3.22Å; P18-W21 VanDerWaalsContact O-N 3.07Å; P18-H24 HydrophobicContact CB-CB 4.24Å; P18-H24 WeakPolarHBondContact O-CA 3.47Å |
| 19 | D | 95.8 | Very high | 96.3 | Very high | 130 Ų | 130 | 67 Ų | 67 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -65.4 | -11.9 | -176.4 | -61.6 | -31 | 0 | 0 | 0 | 114.3 | E17 W21 H24 | E17-D19 PolarHBondContact O-N 2.97Å; D19-W21 PolarHBondContact O-N 3.04Å; D19-H24 IonicContact OD1-CE1 3.6Å; D19-H24 PolarHBondContact OD1-CE1 3.36Å; D19-H24 IonicContact OD1-ND1 2.66Å; D19-H24 PolarHBondContact OD1-ND1 2.93Å; D19-H24 VanDerWaalsContact OD1-ND1 3.08Å |
| 20 | Q | 93.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -79.4 | -7.7 | 175.6 | 82.5 | -166.8 | -56.1 | 0 | 0 | 112.6 | G15 E17 P18 | G15-Q20 PolarHBondContact O-NE2 2.96Å; E17-Q20 WeakPolarHBondContact O-CG 3.17Å; E17-Q20 PolarHBondContact O-N 3.08Å; E17-Q20 PolarHBondContact O-NE2 2.97Å; P18-Q20 PolarHBondContact O-N 3.29Å; P18-Q20 VanDerWaalsContact O-N 3.07Å |
| 21 | W | 94.2 | Very high | 96.2 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -115.9 | 153.5 | -175.2 | -44.8 | 123.3 | 0 | 0 | 0 | 113.4 | P18 D19 H23 H24 E25 P28 P29 A55 C59 | P18-W21 PolarHBondContact O-N 3.22Å; P18-W21 VanDerWaalsContact O-N 3.07Å; D19-W21 PolarHBondContact O-N 3.04Å; W21-H23 VanDerWaalsContact C-N 3.29Å; W21-H23 PolarHBondContact O-N 3.21Å; W21-H24 PolarHBondContact O-N 3.3Å; W21-E25 WeakPolarHBondContact CB-OE2 3.34Å; W21-E25 VanDerWaalsContact CD1-O 3.3Å; W21-P28 HydrophobicContact CZ2-CB 3.58Å; W21-P28 HydrophobicContact CZ2-CG 3.98Å; W21-P29 HydrophobicContact CD2-CG 4.03Å; W21-P29 VanDerWaalsContact CE2-CD 3.44Å; W21-P29 HydrophobicContact CE3-CG 4.06Å; W21-P29 HydrophobicContact CG-CG 4.48Å; W21-P29 HydrophobicContact CZ3-CG 4.49Å; W21-A55 HydrophobicContact CH2-CB 4.05Å; W21-A55 HydrophobicContact CZ3-CB 3.9Å; W21-C59 WeakPolarHBondContact CH2-SG 3.01Å; W21-C59 WeakPolarHBondContact CZ2-SG 3.3Å |
| 22 | A | 91.7 | Very high | 96.2 | Very high | 93 Ų | 93 | 71.2 Ų | 71.2 | 77% | 0.769 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 23 | H | 94.8 | Very high | 96.1 | Very high | 153 Ų | 153 | 70.1 Ų | 70.1 | 71% | 0.708 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 13.8 | -179.8 | -52.9 | -68.8 | 0 | 0 | 0 | 113.1 | W21 E25 | W21-H23 VanDerWaalsContact C-N 3.29Å; W21-H23 PolarHBondContact O-N 3.21Å; H23-E25 VanDerWaalsContact C-N 3.27Å; H23-E25 WeakPolarHBondContact CA-OE2 3.47Å; H23-E25 HydrophobicContact CB-CG 4.42Å; H23-E25 IonicContact CD2-OE1 3.49Å; H23-E25 PolarHBondContact CD2-OE1 3.19Å; H23-E25 IonicContact CG-OE1 3.92Å; H23-E25 PolarHBondContact N-OE2 3.39Å; H23-E25 PolarHBondContact O-N 3.19Å |
| 24 | H | 94.4 | Very high | 96.1 | Very high | 112 Ų | 112 | 68.7 Ų | 68.7 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | trans | 52.2 | 42.7 | -176.9 | -61.5 | -94.2 | 0 | 0 | 0 | 113.3 | P18 D19 W21 I26 | P18-H24 HydrophobicContact CB-CB 4.24Å; P18-H24 WeakPolarHBondContact O-CA 3.47Å; D19-H24 IonicContact OD1-CE1 3.6Å; D19-H24 PolarHBondContact OD1-CE1 3.36Å; D19-H24 IonicContact OD1-ND1 2.66Å; D19-H24 PolarHBondContact OD1-ND1 2.93Å; D19-H24 VanDerWaalsContact OD1-ND1 3.08Å; W21-H24 PolarHBondContact O-N 3.3Å; H24-I26 PolarHBondContact O-N 2.98Å | ||
| 25 | E | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 71.3 Ų | 71.3 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | trans | -61.6 | 126.6 | 176.8 | -62.7 | 92 | 147.2 | 0 | 0 | 111 | W21 H23 V27 | W21-E25 WeakPolarHBondContact CB-OE2 3.34Å; W21-E25 VanDerWaalsContact CD1-O 3.3Å; H23-E25 VanDerWaalsContact C-N 3.27Å; H23-E25 WeakPolarHBondContact CA-OE2 3.47Å; H23-E25 HydrophobicContact CB-CG 4.42Å; H23-E25 IonicContact CD2-OE1 3.49Å; H23-E25 PolarHBondContact CD2-OE1 3.19Å; H23-E25 IonicContact CG-OE1 3.92Å; H23-E25 PolarHBondContact N-OE2 3.39Å; H23-E25 PolarHBondContact O-N 3.19Å; E25-V27 VanDerWaalsContact C-N 3.25Å; E25-V27 WeakPolarHBondContact CB-O 3.31Å; E25-V27 PolarHBondContact O-N 3.25Å | ||
| 26 | I | 95.7 | Very high | 96.1 | Very high | 139 Ų | 139 | 73.3 Ų | 73.3 | 71% | 0.713 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -66 | -31.5 | 177.7 | -64.1 | -174.7 | 0 | 0 | 0 | 111.8 | H24 | H24-I26 PolarHBondContact O-N 2.98Š|
| 27 | V | 96.9 | Very high | 96 | Very high | 79 Ų | 79 | 82.4 Ų | 82.4 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -106.7 | 126.7 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | E25 Y241 | E25-V27 VanDerWaalsContact C-N 3.25Å; E25-V27 WeakPolarHBondContact CB-O 3.31Å; E25-V27 PolarHBondContact O-N 3.25Å; V27-Y241 HydrophobicContact CG1-CE2 3.8Å |
| 28 | P | 96.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 2% | 0.019 | 44% | 0.439 | C | S | . | . | trans | -50.7 | 133.5 | 177.4 | -33.5 | 39.2 | 0 | 0 | 0 | 113.5 | Q16 W21 C59 | Q16-P28 HydrophobicContact CB-CG 4.25Å; Q16-P28 VanDerWaalsContact OE1-CD 3.26Å; W21-P28 HydrophobicContact CZ2-CB 3.58Å; W21-P28 HydrophobicContact CZ2-CG 3.98Å; P28-C59 HydrophobicContact CG-CB 4.44Å | ||
| 29 | P | 97.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 32% | 0.318 | 45% | 0.451 | S | S | . | . | trans | -67.5 | 155.9 | 177.2 | 28.7 | -33.7 | 0 | 0 | 0 | 111.6 | W21 C31 T56 | W21-P29 HydrophobicContact CD2-CG 4.03Å; W21-P29 VanDerWaalsContact CE2-CD 3.44Å; W21-P29 HydrophobicContact CE3-CG 4.06Å; W21-P29 HydrophobicContact CG-CG 4.48Å; W21-P29 HydrophobicContact CZ3-CG 4.49Å; P29-C31 PolarHBondContact O-N 3.28Å; P29-T56 PolarHBondContact O-OG1 2.9Å | ||
| 30 | I | 97.7 | Very high | 95.8 | Very high | 60 Ų | 60 | 78.6 Ų | 78.6 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | trans | -85.8 | 103.5 | 173.3 | -48.8 | -179.2 | 0 | 0 | 0 | 108.7 | L32 F238 Y241 | I30-L32 HydrophobicContact CG2-CD2 3.71Å; I30-L32 HydrophobicContact CG2-CG 4Å; I30-L32 PolarHBondContact O-N 3.37Å; I30-F238 HydrophobicContact CD1-CD2 4Å; I30-F238 HydrophobicContact CD1-CE2 4.21Å; I30-F238 HydrophobicContact CG2-CD2 4.45Å; I30-Y241 HydrophobicContact CD1-CD1 3.58Å; I30-Y241 HydrophobicContact CD1-CD2 4.05Å; I30-Y241 HydrophobicContact CD1-CE1 3.97Å; I30-Y241 HydrophobicContact CD1-CE2 4.39Å; I30-Y241 HydrophobicContact CD1-CG 3.64Å; I30-Y241 HydrophobicContact CG1-CD1 4.09Å; I30-Y241 HydrophobicContact CG1-CD2 3.63Å; I30-Y241 HydrophobicContact CG1-CE2 4.15Å; I30-Y241 HydrophobicContact CG1-CG 3.59Å | ||
| 31 | C | 96.9 | Very high | 95.7 | Very high | 32 Ų | 32 | 81.2 Ų | 81.2 | 22% | 0.216 | 46% | 0.455 | C | S | . | . | trans | -90 | 96.3 | 179.6 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | P29 A55 T56 P237 | P29-C31 PolarHBondContact O-N 3.28Å; C31-A55 HydrophobicContact CB-CB 4.31Å; C31-T56 PolarHBondContact N-OG1 3.18Å; C31-P237 WeakPolarHBondContact O-CB 3.43Å | ||
| 32 | L | 97.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 83.9 Ų | 83.9 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | trans | -88.9 | -5.4 | 179.2 | -59.6 | 178.5 | 0 | 0 | 0 | 113.7 | I30 T34 P237 F238 | I30-L32 HydrophobicContact CG2-CD2 3.71Å; I30-L32 HydrophobicContact CG2-CG 4Å; I30-L32 PolarHBondContact O-N 3.37Å; L32-T34 PolarHBondContact O-N 3.13Å; L32-P237 HydrophobicContact CD2-CB 4.31Å; L32-F238 HydrophobicContact CD2-CB 4.33Å | ||
| 33 | A | 97.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | trans | -59.3 | 130.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F36 A50 | A33-F36 HydrophobicContact CB-CE1 4.1Å; A33-A50 WeakPolarHBondContact O-CB 3.46Å | ||
| 34 | T | 97.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 80.7 Ų | 80.7 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -81.1 | -29.3 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | L32 Y49 A50 | L32-T34 PolarHBondContact O-N 3.13Å; T34-Y49 CarbonylContact O-C 3.58Å; T34-Y49 WeakPolarHBondContact O-CA 3.4Å; T34-Y49 WeakPolarHBondContact O-CD2 3.45Å; T34-Y49 WeakPolarHBondContact O-CE2 3.26Å; T34-A50 PolarHBondContact O-N 3.07Å |
| 35 | T | 96.7 | Very high | 95.2 | Very high | 91 Ų | 91 | 83.7 Ų | 83.7 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | B | Isolated β-bridge | trans | -134.8 | 153.5 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | D48 | T35-D48 WeakPolarHBondContact CA-O 3.29Å; T35-D48 PolarHBondContact OG1-O 2.99Å |
| 36 | F | 96.2 | Very high | 95 | Very high | 43 Ų | 43 | 86.2 Ų | 86.2 | 19% | 0.189 | 49% | 0.49 | C | S | . | . | trans | -124.5 | 136.8 | -175.5 | -55.6 | -83 | 0 | 0 | 0 | 110.7 | A33 Q38 F47 D48 A50 N54 | A33-F36 HydrophobicContact CB-CE1 4.1Å; F36-Q38 PolarHBondContact O-N 3.35Å; F36-F47 WeakPolarHBondContact CB-O 3.29Å; F36-F47 HydrophobicContact CD2-CB 3.44Å; F36-F47 VanDerWaalsContact CD2-CB 3.44Å; F36-F47 HydrophobicContact CE2-CB 3.56Å; F36-F47 HydrophobicContact CE2-CG 4.4Å; F36-F47 HydrophobicContact CG-CB 4.02Å; F36-F47 HydrophobicContact CZ-CB 4.22Å; F36-D48 PolarHBondContact N-O 3.19Å; F36-A50 HydrophobicContact CE2-CB 4.43Å; F36-N54 HydrophobicContact CZ-CB 4.25Å | ||
| 37 | K | 95.5 | Very high | 94.9 | Very high | 199 Ų | 199 | 81.5 Ų | 81.5 | 87% | 0.865 | 47% | 0.465 | S | S | * | . | trans | -62.5 | 122.7 | -179.8 | -178.4 | 179.7 | 179.3 | 178.8 | 0 | 110.6 | ||||
| 38 | Q | 95.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 81.1 Ų | 81.1 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | trans | -92.7 | 143.6 | 170.8 | -52.4 | -173.3 | 17.5 | 0 | 0 | 109.7 | F36 A40 P44 | F36-Q38 PolarHBondContact O-N 3.35Å; Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 VanDerWaalsContact CB-O 3.29Å; Q38-A40 WeakPolarHBondContact CB-O 3.4Å; Q38-A40 PolarHBondContact O-N 3.08Å; Q38-A40 PolarHBondContact OE1-O 3.01Å; Q38-P44 HydrophobicContact CG-CB 4.47Å | ||
| 39 | P | 94.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 85.8 Ų | 85.8 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -63.5 | -31.3 | 173.6 | -23.1 | 37.2 | 0 | 0 | 0 | 113.3 | Q43 K45 | P39-Q43 WeakPolarHBondContact CD-O 3.39Å; P39-K45 HydrophobicContact CG-CG 4.18Å |
| 40 | A | 95.5 | Very high | 94.7 | Very high | 36 Ų | 36 | 84.2 Ų | 84.2 | 30% | 0.298 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -150.8 | 165.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q38 A42 Q43 | Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 VanDerWaalsContact CB-O 3.29Å; Q38-A40 WeakPolarHBondContact CB-O 3.4Å; Q38-A40 PolarHBondContact O-N 3.08Å; Q38-A40 PolarHBondContact OE1-O 3.01Å; A40-A42 PolarHBondContact O-N 3.18Å; A40-Q43 HydrophobicContact CB-CG 4.34Å; A40-Q43 PolarHBondContact O-N 2.92Å |
| 41 | P | 92.1 | Very high | 94.6 | Very high | 123 Ų | 123 | 85.8 Ų | 85.8 | 80% | 0.799 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.3 | 175.1 | -26.1 | 35.4 | 0 | 0 | 0 | 112.4 | Q43 | P41-Q43 VanDerWaalsContact C-N 3.28Å; P41-Q43 PolarHBondContact O-N 3.38Å |
| 42 | A | 89.9 | Confident | 94.4 | Very high | 92 Ų | 92 | 85.1 Ų | 85.1 | 76% | 0.76 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 28 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A40 P44 | A40-A42 PolarHBondContact O-N 3.18Å; A42-P44 VanDerWaalsContact C-CD 3.48Å |
| 43 | Q | 93.7 | Very high | 94.3 | Very high | 116 Ų | 116 | 80.2 Ų | 80.2 | 54% | 0.542 | 45% | 0.447 | S | S | . | . | trans | -126.9 | 63.6 | 176.5 | -61.8 | -174.3 | 11.2 | 0 | 0 | 111.6 | P39 A40 P41 | P39-Q43 WeakPolarHBondContact CD-O 3.39Å; A40-Q43 HydrophobicContact CB-CG 4.34Å; A40-Q43 PolarHBondContact O-N 2.92Å; P41-Q43 VanDerWaalsContact C-N 3.28Å; P41-Q43 PolarHBondContact O-N 3.38Å | ||
| 44 | P | 90.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 78.1 Ų | 78.1 | 40% | 0.403 | 43% | 0.429 | S | S | . | . | trans | -62.7 | 140 | 174.8 | 28.3 | -33.8 | 0 | 0 | 0 | 111.2 | Q38 A42 D48 | Q38-P44 HydrophobicContact CG-CB 4.47Å; A42-P44 VanDerWaalsContact C-CD 3.48Å; P44-D48 HydrophobicContact CB-CB 3.96Å; P44-D48 HydrophobicContact CG-CB 4.47Å | ||
| 45 | K | 89.2 | Confident | 94.3 | Very high | 176 Ų | 176 | 74.6 Ų | 74.6 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -68.2 | -49.7 | 173.7 | -76.8 | -168.6 | 173.8 | -171.1 | 0 | 111.8 | P39 | P39-K45 HydrophobicContact CG-CG 4.18Š|
| 46 | T | 91.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 70.3 Ų | 70.3 | 68% | 0.681 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -143.3 | -49.5 | -178 | -48.1 | 0 | 0 | 0 | 0 | 110 | ||
| 47 | F | 94.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 18% | 0.18 | 37% | 0.374 | C | S | . | . | trans | -123.9 | 153.9 | 175.7 | -53.7 | -67.8 | 0 | 0 | 0 | 109.9 | F36 G53 A55 F58 | F36-F47 WeakPolarHBondContact CB-O 3.29Å; F36-F47 HydrophobicContact CD2-CB 3.44Å; F36-F47 VanDerWaalsContact CD2-CB 3.44Å; F36-F47 HydrophobicContact CE2-CB 3.56Å; F36-F47 HydrophobicContact CE2-CG 4.4Å; F36-F47 HydrophobicContact CG-CB 4.02Å; F36-F47 HydrophobicContact CZ-CB 4.22Å; F47-G53 WeakPolarHBondContact CD1-O 3.49Å; F47-A55 HydrophobicContact CE2-CB 3.97Å; F47-F58 HydrophobicContact CE1-CB 4.49Å; F47-F58 HydrophobicContact CZ-CB 3.96Å; F47-F58 HydrophobicContact CZ-CG 4.25Å | ||
| 48 | D | 93.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 63.3 Ų | 63.3 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -114 | -48.4 | 173.9 | 62.2 | -26.6 | 0 | 0 | 0 | 111.1 | T35 F36 P44 | T35-D48 WeakPolarHBondContact CA-O 3.29Å; T35-D48 PolarHBondContact OG1-O 2.99Å; F36-D48 PolarHBondContact N-O 3.19Å; P44-D48 HydrophobicContact CB-CB 3.96Å; P44-D48 HydrophobicContact CG-CB 4.47Å |
| 49 | Y | 95.9 | Very high | 94.7 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -145.4 | 131.7 | -176.1 | -169.7 | -105.4 | 0 | 0 | 0 | 111.3 | T34 R51 G52 G53 | T34-Y49 CarbonylContact O-C 3.58Å; T34-Y49 WeakPolarHBondContact O-CA 3.4Å; T34-Y49 WeakPolarHBondContact O-CD2 3.45Å; T34-Y49 WeakPolarHBondContact O-CE2 3.26Å; Y49-R51 HydrophobicContact CD1-CB 3.75Å; Y49-R51 HydrophobicContact CE1-CB 3.75Å; Y49-R51 PolarHBondContact O-N 2.85Å; Y49-G52 PolarHBondContact O-N 2.91Å; Y49-G53 PolarHBondContact O-N 3.27Å |
| 50 | A | 96.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A33 T34 F36 G53 N54 R57 | A33-A50 WeakPolarHBondContact O-CB 3.46Å; T34-A50 PolarHBondContact O-N 3.07Å; F36-A50 HydrophobicContact CE2-CB 4.43Å; A50-G53 VanDerWaalsContact CA-O 3.29Å; A50-G53 WeakPolarHBondContact CA-O 3.5Å; A50-G53 CarbonylContact O-C 3.57Å; A50-N54 HydrophobicContact CB-CB 4.27Å; A50-N54 PolarHBondContact O-ND2 3.35Å; A50-R57 PolarHBondContact O-NH1 2.84Å |
| 51 | R | 96.4 | Very high | 95 | Very high | 93 Ų | 93 | 55 Ų | 55 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -46 | 173.2 | 172.7 | 172.8 | 40.9 | 79.2 | 9.8 | 111.1 | Y49 R57 L229 V234 | Y49-R51 HydrophobicContact CD1-CB 3.75Å; Y49-R51 HydrophobicContact CE1-CB 3.75Å; Y49-R51 PolarHBondContact O-N 2.85Å; R51-R57 PolarHBondContact O-NH1 3.14Å; R51-R57 PolarHBondContact O-NH2 3.45Å; R51-L229 PolarHBondContact NH1-O 3.03Å; R51-V234 HydrophobicContact CG-CG2 4.32Å |
| 52 | G | 92.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 19% | 0.186 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y49 R57 | Y49-G52 PolarHBondContact O-N 2.91Å; G52-R57 PolarHBondContact O-NH2 3.49Å; G52-R57 VanDerWaalsContact O-NH2 3.16Å |
| 53 | G | 95.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | trans | -174 | 151 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | F47 Y49 A50 | F47-G53 WeakPolarHBondContact CD1-O 3.49Å; Y49-G53 PolarHBondContact O-N 3.27Å; A50-G53 VanDerWaalsContact CA-O 3.29Å; A50-G53 WeakPolarHBondContact CA-O 3.5Å; A50-G53 CarbonylContact O-C 3.57Å | ||
| 54 | N | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | trans | -147.5 | 156.4 | 171.4 | 67.3 | 84.5 | 0 | 0 | 0 | 109.8 | F36 A50 T56 R57 F58 | F36-N54 HydrophobicContact CZ-CB 4.25Å; A50-N54 HydrophobicContact CB-CB 4.27Å; A50-N54 PolarHBondContact O-ND2 3.35Å; N54-T56 PolarHBondContact O-N 3.18Å; N54-T56 PolarHBondContact OD1-N 3.23Å; N54-R57 WeakPolarHBondContact ND2-CB 3.3Å; N54-R57 PolarHBondContact O-N 3.04Å; N54-R57 WeakPolarHBondContact OD1-CB 3.42Å; N54-R57 PolarHBondContact OD1-N 2.98Å; N54-F58 WeakPolarHBondContact O-CB 3.32Å; N54-F58 PolarHBondContact O-N 3.34Å | ||
| 55 | A | 97.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W21 C31 F47 R57 F58 C59 | W21-A55 HydrophobicContact CH2-CB 4.05Å; W21-A55 HydrophobicContact CZ3-CB 3.9Å; C31-A55 HydrophobicContact CB-CB 4.31Å; F47-A55 HydrophobicContact CE2-CB 3.97Å; A55-R57 PolarHBondContact O-N 2.96Å; A55-F58 WeakPolarHBondContact O-CB 3.26Å; A55-F58 PolarHBondContact O-N 3.24Å; A55-F58 VanDerWaalsContact O-N 3.14Å; A55-C59 PolarHBondContact O-N 3.31Å; A55-C59 PolarHBondContact O-SG 3.45Å |
| 56 | T | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | -176.5 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | P29 C31 N54 L60 P237 C240 | P29-T56 PolarHBondContact O-OG1 2.9Å; C31-T56 PolarHBondContact N-OG1 3.18Å; N54-T56 PolarHBondContact O-N 3.18Å; N54-T56 PolarHBondContact OD1-N 3.23Å; T56-L60 PolarHBondContact O-N 2.9Å; T56-P237 VanDerWaalsContact CG2-O 3.28Å; T56-P237 WeakPolarHBondContact CG2-O 3.45Å; T56-C240 HydrophobicContact CG2-CB 4.25Å |
| 57 | R | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 174.5 | -172 | 172.7 | 79.5 | -151 | 8 | 111.7 | A50 R51 G52 N54 A55 L60 E61 T75 P235 C240 | A50-R57 PolarHBondContact O-NH1 2.84Å; R51-R57 PolarHBondContact O-NH1 3.14Å; R51-R57 PolarHBondContact O-NH2 3.45Å; G52-R57 PolarHBondContact O-NH2 3.49Å; G52-R57 VanDerWaalsContact O-NH2 3.16Å; N54-R57 WeakPolarHBondContact ND2-CB 3.3Å; N54-R57 PolarHBondContact O-N 3.04Å; N54-R57 WeakPolarHBondContact OD1-CB 3.42Å; N54-R57 PolarHBondContact OD1-N 2.98Å; A55-R57 PolarHBondContact O-N 2.96Å; R57-L60 PolarHBondContact O-N 2.9Å; R57-E61 HydrophobicContact CG-CG 4.32Å; R57-E61 IonicContact NE-OE1 3.08Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.2Å; R57-E61 PolarHBondContact O-N 2.91Å; R57-T75 VanDerWaalsContact CD-OG1 3.25Å; R57-T75 WeakPolarHBondContact CD-OG1 3.26Å; R57-T75 WeakPolarHBondContact CG-OG1 3.32Å; R57-P235 HydrophobicContact CG-CG 4.49Å; R57-C240 HydrophobicContact CB-CB 4.45Å |
| 58 | F | 97.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 25.7 Ų | 25.7 | 41% | 0.408 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 179 | -176.5 | -105.8 | 0 | 0 | 0 | 111.9 | F47 N54 A55 L60 E61 Q62 | F47-F58 HydrophobicContact CE1-CB 4.49Å; F47-F58 HydrophobicContact CZ-CB 3.96Å; F47-F58 HydrophobicContact CZ-CG 4.25Å; N54-F58 WeakPolarHBondContact O-CB 3.32Å; N54-F58 PolarHBondContact O-N 3.34Å; A55-F58 WeakPolarHBondContact O-CB 3.26Å; A55-F58 PolarHBondContact O-N 3.24Å; A55-F58 VanDerWaalsContact O-N 3.14Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.43Å; F58-E61 PolarHBondContact O-N 2.99Å; F58-Q62 HydrophobicContact CD1-CG 4.39Å; F58-Q62 HydrophobicContact CE1-CG 4.04Å; F58-Q62 HydrophobicContact CE2-CG 4.34Å; F58-Q62 HydrophobicContact CZ-CG 4.01Å; F58-Q62 WeakPolarHBondContact O-CG 3.44Å; F58-Q62 PolarHBondContact O-N 3.15Å |
| 59 | C | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | G15 W21 P28 A55 Q62 C63 | G15-C59 VanDerWaalsContact O-CB 3.26Å; G15-C59 WeakPolarHBondContact O-CB 3.21Å; G15-C59 PolarHBondContact O-SG 3.02Å; W21-C59 WeakPolarHBondContact CH2-SG 3.01Å; W21-C59 WeakPolarHBondContact CZ2-SG 3.3Å; P28-C59 HydrophobicContact CG-CB 4.44Å; A55-C59 PolarHBondContact O-N 3.31Å; A55-C59 PolarHBondContact O-SG 3.45Å; C59-Q62 PolarHBondContact O-N 3.41Å; C59-C63 WeakPolarHBondContact O-CB 3.47Å; C59-C63 PolarHBondContact O-N 3.47Å |
| 60 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 177.3 | 174.1 | 63.1 | 0 | 0 | 0 | 111.7 | T56 R57 F58 Q62 C63 I64 T75 M210 C240 V243 N244 I247 | T56-L60 PolarHBondContact O-N 2.9Å; R57-L60 PolarHBondContact O-N 2.9Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.43Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 2.89Å; L60-C63 PolarHBondContact O-N 2.94Å; L60-I64 HydrophobicContact CD1-CD1 3.71Å; L60-I64 HydrophobicContact CD1-CG1 3.93Å; L60-I64 HydrophobicContact CG-CD1 3.94Å; L60-I64 HydrophobicContact CG-CG1 4.45Å; L60-I64 WeakPolarHBondContact O-CG1 3.08Å; L60-I64 PolarHBondContact O-N 3.02Å; L60-T75 HydrophobicContact CD2-CG2 4.01Å; L60-T75 HydrophobicContact CG-CG2 4.28Å; L60-M210 HydrophobicContact CD2-CE 4.21Å; L60-M210 HydrophobicContact CD2-SD 3.6Å; L60-C240 HydrophobicContact CB-CB 4.48Å; L60-C240 HydrophobicContact CD2-CB 3.91Å; L60-V243 HydrophobicContact CD1-CB 4.23Å; L60-V243 HydrophobicContact CD1-CG1 3.68Å; L60-V243 HydrophobicContact CD2-CB 4.05Å; L60-V243 HydrophobicContact CD2-CG1 4.05Å; L60-N244 HydrophobicContact CB-CB 4.47Å; L60-N244 HydrophobicContact CD1-CB 4.09Å; L60-I247 HydrophobicContact CD1-CD1 3.48Å; L60-I247 VanDerWaalsContact CD1-CD1 3.48Å |
| 61 | E | 98.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 178.5 | -76.5 | 175.7 | 172.2 | 0 | 0 | 111 | R57 F58 A65 C73 K74 T75 Q228 | R57-E61 HydrophobicContact CG-CG 4.32Å; R57-E61 IonicContact NE-OE1 3.08Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.2Å; R57-E61 PolarHBondContact O-N 2.91Å; F58-E61 PolarHBondContact O-N 2.99Å; E61-A65 WeakPolarHBondContact O-CB 3.33Å; E61-A65 PolarHBondContact O-N 3.03Å; E61-C73 WeakPolarHBondContact CB-O 3.22Å; E61-C73 WeakPolarHBondContact CG-O 3.45Å; E61-C73 VanDerWaalsContact O-CB 3.26Å; E61-C73 WeakPolarHBondContact O-CB 3.16Å; E61-K74 WeakPolarHBondContact OE1-CA 3.18Å; E61-K74 IonicContact OE2-NZ 3.4Å; E61-T75 HydrophobicContact CG-CG2 3.83Å; E61-T75 PolarHBondContact OE1-N 3.4Å; E61-T75 PolarHBondContact OE1-OG1 3.1Å; E61-Q228 PolarHBondContact OE1-NE2 3.05Å |
| 62 | Q | 98.4 | Very high | 97.9 | Very high | 69 Ų | 69 | 25.9 Ų | 25.9 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.6 | -71.1 | -178.4 | -66.3 | 0 | 0 | 112.5 | F58 C59 L60 A65 S66 | F58-Q62 HydrophobicContact CD1-CG 4.39Å; F58-Q62 HydrophobicContact CE1-CG 4.04Å; F58-Q62 HydrophobicContact CE2-CG 4.34Å; F58-Q62 HydrophobicContact CZ-CG 4.01Å; F58-Q62 WeakPolarHBondContact O-CG 3.44Å; F58-Q62 PolarHBondContact O-N 3.15Å; C59-Q62 PolarHBondContact O-N 3.41Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 2.89Å; Q62-A65 PolarHBondContact O-N 2.74Å; Q62-S66 PolarHBondContact O-N 2.89Å; Q62-S66 VanDerWaalsContact O-N 3.07Å |
| 63 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | 178.2 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | V14 C59 L60 A65 S66 L67 | V14-C63 WeakPolarHBondContact O-CB 3.27Å; C59-C63 WeakPolarHBondContact O-CB 3.47Å; C59-C63 PolarHBondContact O-N 3.47Å; L60-C63 PolarHBondContact O-N 2.94Å; C63-A65 VanDerWaalsContact C-N 3.33Å; C63-A65 PolarHBondContact O-N 3.43Å; C63-S66 PolarHBondContact O-N 3.36Å; C63-S66 VanDerWaalsContact O-N 3.14Å; C63-S66 PolarHBondContact O-OG 3.37Å; C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 2.84Å; C63-L67 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 179.2 | -66.1 | 176.1 | 0 | 0 | 0 | 111.5 | L60 S66 L67 E68 C73 T75 V198 I202 C212 I247 | L60-I64 HydrophobicContact CD1-CD1 3.71Å; L60-I64 HydrophobicContact CD1-CG1 3.93Å; L60-I64 HydrophobicContact CG-CD1 3.94Å; L60-I64 HydrophobicContact CG-CG1 4.45Å; L60-I64 WeakPolarHBondContact O-CG1 3.08Å; L60-I64 PolarHBondContact O-N 3.02Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 2.81Å; I64-L67 PolarHBondContact O-N 2.92Å; I64-L67 VanDerWaalsContact O-N 3.12Å; I64-E68 PolarHBondContact O-N 2.95Å; I64-C73 HydrophobicContact CB-CB 4.47Å; I64-C73 HydrophobicContact CG2-CB 4.42Å; I64-T75 HydrophobicContact CD1-CG2 4.29Å; I64-V198 HydrophobicContact CD1-CG2 4.41Å; I64-I202 HydrophobicContact CD1-CG2 4.44Å; I64-C212 HydrophobicContact CD1-CB 4.29Å; I64-I247 HydrophobicContact CD1-CD1 4.2Å; I64-I247 HydrophobicContact CG1-CD1 3.63Å |
| 65 | A | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.7 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E61 Q62 C63 L67 E68 A69 A70 C73 | E61-A65 WeakPolarHBondContact O-CB 3.33Å; E61-A65 PolarHBondContact O-N 3.03Å; Q62-A65 PolarHBondContact O-N 2.74Å; C63-A65 VanDerWaalsContact C-N 3.33Å; C63-A65 PolarHBondContact O-N 3.43Å; A65-L67 VanDerWaalsContact C-N 3.34Å; A65-L67 PolarHBondContact O-N 3.05Å; A65-E68 PolarHBondContact O-N 3.15Å; A65-A69 PolarHBondContact O-N 2.99Å; A65-A69 VanDerWaalsContact O-N 3.12Å; A65-A70 PolarHBondContact O-N 2.94Å; A65-C73 HydrophobicContact CB-CB 3.76Å |
| 66 | S | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 24.7 Ų | 24.7 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | Q62 C63 I64 A69 | Q62-S66 PolarHBondContact O-N 2.89Å; Q62-S66 VanDerWaalsContact O-N 3.07Å; C63-S66 PolarHBondContact O-N 3.36Å; C63-S66 VanDerWaalsContact O-N 3.14Å; C63-S66 PolarHBondContact O-OG 3.37Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 2.81Å; S66-A69 PolarHBondContact O-N 2.85Å |
| 67 | L | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.8 | -37 | -179.3 | -62.4 | -175.8 | 0 | 0 | 0 | 112.7 | F7 D10 A11 C63 I64 A65 A69 P181 R185 I247 L250 | F7-L67 HydrophobicContact CD1-CD2 4.18Å; F7-L67 HydrophobicContact CD2-CD2 4.1Å; F7-L67 HydrophobicContact CE1-CD1 4.44Å; F7-L67 HydrophobicContact CE1-CD2 4Å; F7-L67 HydrophobicContact CE2-CB 3.86Å; F7-L67 HydrophobicContact CE2-CD2 3.91Å; F7-L67 HydrophobicContact CE2-CG 4.33Å; F7-L67 HydrophobicContact CG-CD2 4.23Å; F7-L67 HydrophobicContact CZ-CB 4.08Å; F7-L67 HydrophobicContact CZ-CD1 4.06Å; F7-L67 HydrophobicContact CZ-CD2 3.87Å; F7-L67 HydrophobicContact CZ-CG 4.22Å; D10-L67 HydrophobicContact CB-CD2 4.11Å; A11-L67 HydrophobicContact CB-CD1 4.3Å; A11-L67 HydrophobicContact CB-CD2 3.89Å; C63-L67 WeakPolarHBondContact O-CG 3.25Å; C63-L67 PolarHBondContact O-N 2.84Å; C63-L67 VanDerWaalsContact O-N 3.13Å; I64-L67 PolarHBondContact O-N 2.92Å; I64-L67 VanDerWaalsContact O-N 3.12Å; A65-L67 VanDerWaalsContact C-N 3.34Å; A65-L67 PolarHBondContact O-N 3.05Å; L67-A69 PolarHBondContact O-N 2.71Å; L67-P181 HydrophobicContact CB-CB 4.01Å; L67-P181 HydrophobicContact CB-CG 3.95Å; L67-R185 VanDerWaalsContact O-CZ 3.25Å; L67-R185 PolarHBondContact O-NE 3.08Å; L67-R185 PolarHBondContact O-NH2 3.09Å; L67-I247 HydrophobicContact CD1-CG2 3.59Å; L67-L250 HydrophobicContact CD1-CD2 4.34Å |
| 68 | E | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.4 | -6.7 | 171.1 | -81 | -66.3 | 171.6 | 0 | 0 | 113.4 | I64 A65 A70 N176 P181 T194 H196 C214 | I64-E68 PolarHBondContact O-N 2.95Å; A65-E68 PolarHBondContact O-N 3.15Å; E68-A70 HydrophobicContact CB-CB 4.14Å; E68-A70 PolarHBondContact O-N 2.95Å; E68-N176 PolarHBondContact OE1-ND2 3.27Å; E68-P181 HydrophobicContact CG-CB 3.93Å; E68-T194 HydrophobicContact CG-CG2 3.94Å; E68-H196 IonicContact OE1-CD2 3.3Å; E68-H196 IonicContact OE1-CE1 2.66Å; E68-H196 PolarHBondContact OE1-CE1 3.03Å; E68-H196 VanDerWaalsContact OE1-CE1 3.3Å; E68-H196 IonicContact OE1-NE2 2.71Å; E68-H196 PolarHBondContact OE1-NE2 3.07Å; E68-C214 HydrophobicContact CB-CB 4.13Å; E68-C214 HydrophobicContact CG-CB 4.13Å |
| 69 | A | 97.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 24 Ų | 24 | 47% | 0.471 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A65 S66 L67 | A65-A69 PolarHBondContact O-N 2.99Å; A65-A69 VanDerWaalsContact O-N 3.12Å; S66-A69 PolarHBondContact O-N 2.85Å; L67-A69 PolarHBondContact O-N 2.71Å |
| 70 | A | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | trans | -99.3 | 152.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A65 E68 L187 C214 D216 | A65-A70 PolarHBondContact O-N 2.94Å; E68-A70 HydrophobicContact CB-CB 4.14Å; E68-A70 PolarHBondContact O-N 2.95Å; A70-L187 HydrophobicContact CB-CD1 3.4Å; A70-L187 VanDerWaalsContact CB-CD1 3.4Å; A70-C214 HydrophobicContact CB-CB 3.8Å; A70-D216 WeakPolarHBondContact CA-OD1 3.11Å | ||
| 71 | K | 98.5 | Very high | 98.6 | Very high | 147 Ų | 147 | 27.2 Ų | 27.2 | 64% | 0.639 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -69.8 | -34.2 | 169.2 | -68.8 | 177.9 | -178.1 | 176.3 | 0 | 112.9 | D216 | K71-D216 HydrophobicContact CD-CB 4.38Å; K71-D216 WeakPolarHBondContact CG-OD1 3.43Å; K71-D216 PolarHBondContact N-OD1 3.31Å |
| 72 | Y | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.1 | -171.8 | -48.5 | -67.2 | 0 | 0 | 0 | 112 | C214 T215 K218 F221 | Y72-C214 VanDerWaalsContact O-CA 3.24Å; Y72-C214 WeakPolarHBondContact O-CA 3.32Å; Y72-T215 HydrophobicContact CD2-CG2 4.49Å; Y72-T215 PolarHBondContact N-O 2.89Å; Y72-T215 PolarHBondContact O-N 3.04Å; Y72-K218 HydrophobicContact CE2-CB 4.38Å; Y72-F221 VanDerWaalsContact CB-CD2 3.44Å; Y72-F221 HydrophobicContact CD1-CB 4.39Å; Y72-F221 HydrophobicContact CD1-CD1 4.01Å; Y72-F221 AromaticContact CD1-CD2 3.88Å; Y72-F221 HydrophobicContact CD1-CD2 3.88Å; Y72-F221 HydrophobicContact CD1-CE1 4.2Å; Y72-F221 HydrophobicContact CD1-CE2 4.03Å; Y72-F221 AromaticContact CD1-CG 3.82Å; Y72-F221 HydrophobicContact CD1-CG 3.82Å; Y72-F221 HydrophobicContact CD1-CZ 4.2Å; Y72-F221 HydrophobicContact CD2-CB 3.69Å; Y72-F221 HydrophobicContact CD2-CD2 4.49Å; Y72-F221 HydrophobicContact CD2-CG 4.04Å; Y72-F221 HydrophobicContact CE1-CD1 4.2Å; Y72-F221 HydrophobicContact CE1-CE1 4.39Å; Y72-F221 HydrophobicContact CE1-CG 4.4Å; Y72-F221 HydrophobicContact CE2-CB 4.28Å; Y72-F221 HydrophobicContact CG-CB 3.76Å; Y72-F221 HydrophobicContact CG-CD1 4.24Å; Y72-F221 AromaticContact CG-CD2 3.69Å; Y72-F221 HydrophobicContact CG-CD2 3.69Å; Y72-F221 HydrophobicContact CG-CE2 4.27Å; Y72-F221 AromaticContact CG-CG 3.62Å; Y72-F221 HydrophobicContact CG-CG 3.62Å |
| 73 | C | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142 | 168.4 | 169.5 | 0 | 0 | 0 | 0 | 109.5 | E61 I64 A65 V213 | E61-C73 WeakPolarHBondContact CB-O 3.22Å; E61-C73 WeakPolarHBondContact CG-O 3.45Å; E61-C73 VanDerWaalsContact O-CB 3.26Å; E61-C73 WeakPolarHBondContact O-CB 3.16Å; I64-C73 HydrophobicContact CB-CB 4.47Å; I64-C73 HydrophobicContact CG2-CB 4.42Å; A65-C73 HydrophobicContact CB-CB 3.76Å; C73-V213 CarbonylContact C-O 3.57Å; C73-V213 VanDerWaalsContact CA-O 3.29Å; C73-V213 WeakPolarHBondContact CA-O 3.34Å |
| 74 | K | 98.7 | Very high | 98.6 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.4 | 169.4 | -71.9 | -55 | -156.6 | 166.2 | 0 | 110.8 | E61 F76 C212 V213 F221 L224 N225 Q228 | E61-K74 WeakPolarHBondContact OE1-CA 3.18Å; E61-K74 IonicContact OE2-NZ 3.4Å; K74-F76 HydrophobicContact CB-CE2 3.92Å; K74-F76 HydrophobicContact CB-CZ 4.19Å; K74-C212 CarbonylContact O-C 3.58Å; K74-C212 WeakPolarHBondContact O-CA 3.49Å; K74-V213 PolarHBondContact N-O 3.19Å; K74-V213 PolarHBondContact O-N 3.12Å; K74-F221 HydrophobicContact CD-CE2 4.06Å; K74-F221 VanDerWaalsContact CE-CE2 3.46Å; K74-F221 HydrophobicContact CG-CD2 4.23Å; K74-F221 HydrophobicContact CG-CE2 4.26Å; K74-L224 HydrophobicContact CB-CB 4.16Å; K74-L224 HydrophobicContact CG-CB 3.91Å; K74-N225 WeakPolarHBondContact CE-OD1 3.28Å; K74-N225 PolarHBondContact NZ-OD1 3.37Å; K74-Q228 VanDerWaalsContact NZ-OE1 3.07Å |
| 75 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 149.3 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | R57 L60 E61 I64 M210 G211 C212 Q228 P235 | R57-T75 VanDerWaalsContact CD-OG1 3.25Å; R57-T75 WeakPolarHBondContact CD-OG1 3.26Å; R57-T75 WeakPolarHBondContact CG-OG1 3.32Å; L60-T75 HydrophobicContact CD2-CG2 4.01Å; L60-T75 HydrophobicContact CG-CG2 4.28Å; E61-T75 HydrophobicContact CG-CG2 3.83Å; E61-T75 PolarHBondContact OE1-N 3.4Å; E61-T75 PolarHBondContact OE1-OG1 3.1Å; I64-T75 HydrophobicContact CD1-CG2 4.29Å; T75-M210 HydrophobicContact CG2-SD 4.18Å; T75-G211 CarbonylContact C-O 3.59Å; T75-G211 WeakPolarHBondContact CA-O 3.32Å; T75-C212 HydrophobicContact CG2-CB 4Å; T75-Q228 PolarHBondContact O-NE2 3.39Å; T75-P235 WeakPolarHBondContact O-CD 3.47Å |
| 76 | F | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160 | -173.8 | -63.8 | -87.6 | 0 | 0 | 0 | 110.6 | K74 S78 A81 A82 A85 M210 G211 V213 L224 Q227 Q228 A233 | K74-F76 HydrophobicContact CB-CE2 3.92Å; K74-F76 HydrophobicContact CB-CZ 4.19Å; F76-S78 PolarHBondContact O-N 2.79Å; F76-A81 HydrophobicContact CB-CB 3.91Å; F76-A82 HydrophobicContact CB-CB 4.11Å; F76-A82 HydrophobicContact CD2-CB 3.64Å; F76-A82 HydrophobicContact CE2-CB 4.41Å; F76-A82 HydrophobicContact CG-CB 4.08Å; F76-A85 HydrophobicContact CD1-CB 4.05Å; F76-A85 HydrophobicContact CE1-CB 3.34Å; F76-A85 HydrophobicContact CE2-CB 4.24Å; F76-A85 HydrophobicContact CZ-CB 3.45Å; F76-A85 VanDerWaalsContact CZ-CB 3.45Å; F76-M210 VanDerWaalsContact O-CG 3.32Å; F76-M210 WeakPolarHBondContact O-CG 3.5Å; F76-G211 PolarHBondContact N-O 3.46Å; F76-G211 PolarHBondContact O-N 3.4Å; F76-V213 HydrophobicContact CD2-CG2 4.17Å; F76-V213 HydrophobicContact CE2-CB 4.38Å; F76-V213 HydrophobicContact CE2-CG2 3.74Å; F76-L224 HydrophobicContact CE2-CD2 4.3Å; F76-L224 HydrophobicContact CZ-CB 4.4Å; F76-L224 HydrophobicContact CZ-CD2 3.97Å; F76-Q227 HydrophobicContact CE1-CB 4.49Å; F76-Q228 HydrophobicContact CD1-CG 4.47Å; F76-Q228 HydrophobicContact CE1-CG 3.89Å; F76-Q228 HydrophobicContact CZ-CG 4.21Å; F76-A233 CarbonylContact C-O 3.3Å; F76-A233 WeakPolarHBondContact CA-O 3.44Å |
| 77 | A | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 35% | 0.347 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -61.1 | -15.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I209 A233 | A77-I209 VanDerWaalsContact O-O 3.12Å; A77-A233 PolarHBondContact N-O 3.49Å |
| 78 | S | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 26.4 Ų | 26.4 | 21% | 0.21 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -164.5 | 167.5 | 172.8 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | F76 L80 A81 A82 G211 | F76-S78 PolarHBondContact O-N 2.79Å; S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.04Å; S78-L80 PolarHBondContact OG-N 2.62Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 3.47Å; S78-A81 VanDerWaalsContact O-N 3.11Å; S78-A81 PolarHBondContact OG-N 3.07Å; S78-A82 PolarHBondContact O-N 3.47Å; S78-G211 VanDerWaalsContact C-CA 3.5Å; S78-G211 WeakPolarHBondContact O-CA 3.35Å; S78-G211 PolarHBondContact O-N 3.43Å |
| 79 | G | 98.3 | Very high | 98.5 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.7 | -40.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | A81 A82 I83 M210 | G79-A81 VanDerWaalsContact C-N 3.34Å; G79-A81 PolarHBondContact O-N 2.6Å; G79-A82 WeakPolarHBondContact O-CB 3.46Å; G79-A82 PolarHBondContact O-N 2.61Å; G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.49Å; G79-I83 PolarHBondContact O-N 2.93Å; G79-M210 PolarHBondContact N-O 3.3Å |
| 80 | L | 98.3 | Very high | 98.5 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 27% | 0.272 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -32.1 | 176.5 | -73.9 | 171.8 | 0 | 0 | 0 | 113.1 | S78 I83 S84 Y103 F109 | S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.04Å; S78-L80 PolarHBondContact OG-N 2.62Å; L80-I83 HydrophobicContact CD2-CD1 4.12Å; L80-I83 PolarHBondContact O-N 2.63Å; L80-S84 WeakPolarHBondContact O-CB 3.24Å; L80-S84 PolarHBondContact O-N 2.85Å; L80-Y103 HydrophobicContact CD2-CE1 4.31Å; L80-Y103 HydrophobicContact CG-CE1 4.49Å; L80-F109 HydrophobicContact CD2-CB 4.4Å |
| 81 | A | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F76 S78 G79 S84 A85 A233 | F76-A81 HydrophobicContact CB-CB 3.91Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 3.47Å; S78-A81 VanDerWaalsContact O-N 3.11Å; S78-A81 PolarHBondContact OG-N 3.07Å; G79-A81 VanDerWaalsContact C-N 3.34Å; G79-A81 PolarHBondContact O-N 2.6Å; A81-S84 PolarHBondContact O-N 3Å; A81-A85 PolarHBondContact O-N 2.97Å; A81-A233 HydrophobicContact CB-CB 3.95Å |
| 82 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | F76 S78 G79 S84 A85 I86 V195 V213 | F76-A82 HydrophobicContact CB-CB 4.11Å; F76-A82 HydrophobicContact CD2-CB 3.64Å; F76-A82 HydrophobicContact CE2-CB 4.41Å; F76-A82 HydrophobicContact CG-CB 4.08Å; S78-A82 PolarHBondContact O-N 3.47Å; G79-A82 WeakPolarHBondContact O-CB 3.46Å; G79-A82 PolarHBondContact O-N 2.61Å; A82-S84 VanDerWaalsContact C-N 3.32Å; A82-S84 PolarHBondContact O-N 3.17Å; A82-A85 PolarHBondContact O-N 3.06Å; A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.98Å; A82-V195 HydrophobicContact CB-CG2 3.87Å; A82-V213 HydrophobicContact CB-CG2 3.77Å |
| 83 | I | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 174.4 | -64.1 | 168.2 | 0 | 0 | 0 | 110.9 | G79 L80 A85 I86 T87 T106 F109 F110 W143 V195 | G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.49Å; G79-I83 PolarHBondContact O-N 2.93Å; L80-I83 HydrophobicContact CD2-CD1 4.12Å; L80-I83 PolarHBondContact O-N 2.63Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 2.69Å; I83-I86 PolarHBondContact O-N 3.28Å; I83-T87 HydrophobicContact CG2-CG2 4.42Å; I83-T87 WeakPolarHBondContact O-CG2 3.48Å; I83-T87 PolarHBondContact O-N 2.87Å; I83-T87 PolarHBondContact O-OG1 3.27Å; I83-T87 VanDerWaalsContact O-OG1 3.12Å; I83-T106 HydrophobicContact CD1-CG2 4.29Å; I83-T106 WeakPolarHBondContact CD1-OG1 3.43Å; I83-F109 HydrophobicContact CG2-CD1 3.81Å; I83-F109 HydrophobicContact CG2-CE1 4Å; I83-F110 HydrophobicContact CG2-CE1 3.78Å; I83-F110 HydrophobicContact CG2-CZ 4.38Å; I83-W143 HydrophobicContact CB-CH2 4Å; I83-W143 HydrophobicContact CB-CZ2 4.43Å; I83-W143 HydrophobicContact CD1-CZ2 4.12Å; I83-W143 HydrophobicContact CG1-CH2 3.62Å; I83-W143 HydrophobicContact CG1-CZ2 3.66Å; I83-W143 HydrophobicContact CG2-CH2 3.73Å; I83-W143 HydrophobicContact CG2-CZ2 4.16Å; I83-W143 HydrophobicContact CG2-CZ3 4.26Å; I83-V195 HydrophobicContact CG1-CG2 4.45Å |
| 84 | S | 98.4 | Very high | 98.2 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.4 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | L80 A81 A82 T87 A88 | L80-S84 WeakPolarHBondContact O-CB 3.24Å; L80-S84 PolarHBondContact O-N 2.85Å; A81-S84 PolarHBondContact O-N 3Å; A82-S84 VanDerWaalsContact C-N 3.32Å; A82-S84 PolarHBondContact O-N 3.17Å; S84-T87 PolarHBondContact O-N 3.26Å; S84-T87 PolarHBondContact O-OG1 3.29Å; S84-T87 VanDerWaalsContact O-OG1 3.11Å; S84-A88 PolarHBondContact O-N 3.16Å; S84-A88 VanDerWaalsContact O-N 3.12Å |
| 85 | A | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F76 A81 A82 I83 A88 H223 L224 Q227 | F76-A85 HydrophobicContact CD1-CB 4.05Å; F76-A85 HydrophobicContact CE1-CB 3.34Å; F76-A85 HydrophobicContact CE2-CB 4.24Å; F76-A85 HydrophobicContact CZ-CB 3.45Å; F76-A85 VanDerWaalsContact CZ-CB 3.45Å; A81-A85 PolarHBondContact O-N 2.97Å; A82-A85 PolarHBondContact O-N 3.06Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 2.69Å; A85-A88 PolarHBondContact O-N 2.99Å; A85-H223 PolarHBondContact O-NE2 2.94Å; A85-L224 HydrophobicContact CB-CD2 4.09Å; A85-Q227 HydrophobicContact CB-CB 3.89Å; A85-Q227 HydrophobicContact CB-CG 4.07Å |
| 86 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -51.1 | 175.2 | -66.9 | 172.4 | 0 | 0 | 0 | 110.7 | A82 I83 A88 I89 M141 W143 V173 M193 V195 V213 L224 | A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.98Å; I83-I86 PolarHBondContact O-N 3.28Å; I86-A88 PolarHBondContact O-N 3.07Å; I86-I89 WeakPolarHBondContact O-CG1 3.27Å; I86-I89 PolarHBondContact O-N 3.46Å; I86-M141 HydrophobicContact CG2-CE 3.63Å; I86-M141 HydrophobicContact CG2-SD 4.03Å; I86-W143 HydrophobicContact CB-CZ3 4.3Å; I86-W143 HydrophobicContact CD1-CH2 3.98Å; I86-W143 HydrophobicContact CD1-CZ3 4.24Å; I86-W143 HydrophobicContact CG2-CZ3 3.86Å; I86-V173 HydrophobicContact CD1-CG1 3.99Å; I86-V173 HydrophobicContact CG2-CG2 3.79Å; I86-M193 HydrophobicContact CB-SD 4.43Å; I86-M193 HydrophobicContact CD1-SD 4.42Å; I86-M193 HydrophobicContact CG1-SD 4.02Å; I86-M193 HydrophobicContact CG2-CE 3.9Å; I86-M193 HydrophobicContact CG2-SD 3.78Å; I86-V195 HydrophobicContact CD1-CB 3.86Å; I86-V195 HydrophobicContact CD1-CG1 4.43Å; I86-V195 HydrophobicContact CD1-CG2 4.04Å; I86-V213 HydrophobicContact CD1-CB 4.4Å; I86-V213 HydrophobicContact CD1-CG1 3.76Å; I86-V213 HydrophobicContact CD1-CG2 3.7Å; I86-V213 HydrophobicContact CG1-CB 4.49Å; I86-V213 HydrophobicContact CG1-CG1 3.89Å; I86-V213 HydrophobicContact CG1-CG2 3.79Å; I86-L224 HydrophobicContact CG1-CD2 4.37Å |
| 87 | T | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.4 | -15.8 | -174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | I83 S84 I89 L90 I96 F109 F110 L114 M141 W143 | I83-T87 HydrophobicContact CG2-CG2 4.42Å; I83-T87 WeakPolarHBondContact O-CG2 3.48Å; I83-T87 PolarHBondContact O-N 2.87Å; I83-T87 PolarHBondContact O-OG1 3.27Å; I83-T87 VanDerWaalsContact O-OG1 3.12Å; S84-T87 PolarHBondContact O-N 3.26Å; S84-T87 PolarHBondContact O-OG1 3.29Å; S84-T87 VanDerWaalsContact O-OG1 3.11Å; T87-I89 PolarHBondContact O-N 3.27Å; T87-L90 WeakPolarHBondContact O-CB 3.44Å; T87-L90 PolarHBondContact O-N 3.38Å; T87-L90 VanDerWaalsContact O-N 3.08Å; T87-I96 HydrophobicContact CG2-CD1 3.78Å; T87-F109 HydrophobicContact CG2-CE1 4.41Å; T87-F109 WeakPolarHBondContact OG1-CE1 3.44Å; T87-F110 HydrophobicContact CG2-CE1 3.85Å; T87-L114 HydrophobicContact CG2-CD1 3.79Å; T87-M141 HydrophobicContact CG2-SD 4.37Å; T87-W143 HydrophobicContact CG2-CZ3 4.36Å |
| 88 | A | 97.9 | Very high | 98 | Very high | 46 Ų | 46 | 28.6 Ų | 28.6 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S84 A85 I86 L90 H223 Q227 | S84-A88 PolarHBondContact O-N 3.16Å; S84-A88 VanDerWaalsContact O-N 3.12Å; A85-A88 PolarHBondContact O-N 2.99Å; I86-A88 PolarHBondContact O-N 3.07Å; A88-L90 VanDerWaalsContact C-N 3.26Å; A88-H223 VanDerWaalsContact C-CE1 3.49Å; A88-Q227 HydrophobicContact CB-CG 4.49Å |
| 89 | I | 97.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.7 | 168.8 | -63.3 | 177.6 | 0 | 0 | 0 | 110.9 | I86 T87 L171 I220 H223 | I86-I89 WeakPolarHBondContact O-CG1 3.27Å; I86-I89 PolarHBondContact O-N 3.46Å; T87-I89 PolarHBondContact O-N 3.27Å; I89-L171 HydrophobicContact CD1-CD1 4.21Å; I89-L171 HydrophobicContact CG2-CD1 4.03Å; I89-I220 HydrophobicContact CD1-CG2 4.49Å; I89-H223 HydrophobicContact CG1-CB 4.45Å; I89-H223 WeakPolarHBondContact CG1-CD2 3.3Å; I89-H223 WeakPolarHBondContact CG1-NE2 3.35Å; I89-H223 PolarHBondContact N-CE1 3.32Å |
| 90 | L | 97.8 | Very high | 97 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | trans | -76.5 | 153.9 | -174.5 | -55.8 | 174.8 | 0 | 0 | 0 | 111.6 | T87 A88 D94 I96 I119 K140 M141 | T87-L90 WeakPolarHBondContact O-CB 3.44Å; T87-L90 PolarHBondContact O-N 3.38Å; T87-L90 VanDerWaalsContact O-N 3.08Å; A88-L90 VanDerWaalsContact C-N 3.26Å; L90-D94 HydrophobicContact CB-CB 4.23Å; L90-D94 HydrophobicContact CD2-CB 4.3Å; L90-I96 HydrophobicContact CD1-CD1 3.65Å; L90-I96 HydrophobicContact CD1-CG1 3.39Å; L90-I119 HydrophobicContact CB-CD1 3.72Å; L90-I119 HydrophobicContact CB-CG1 4.39Å; L90-I119 HydrophobicContact CD1-CG2 3.88Å; L90-K140 HydrophobicContact CD2-CB 3.79Å; L90-M141 HydrophobicContact CD1-CB 4.46Å; L90-M141 HydrophobicContact CD1-CE 4.25Å; L90-M141 HydrophobicContact CD1-SD 4.41Å; L90-M141 HydrophobicContact CD2-CB 4.27Å; L90-M141 HydrophobicContact CD2-CE 4.22Å; L90-M141 HydrophobicContact CG-CE 4.2Å | ||
| 91 | K | 97.2 | Very high | 96.3 | Very high | 148 Ų | 148 | 24.9 Ų | 24.9 | 64% | 0.643 | 15% | 0.153 | S | C | * | . | trans | -114.8 | 151.9 | 180 | -60.7 | 173.8 | -172.3 | 173.6 | 0 | 110.4 | G93 D94 I119 | K91-G93 PolarHBondContact O-N 2.91Å; K91-D94 PolarHBondContact N-OD2 2.89Å; K91-D94 VanDerWaalsContact O-CB 3.27Å; K91-D94 WeakPolarHBondContact O-CB 3.43Å; K91-D94 PolarHBondContact O-N 2.9Å; K91-I119 WeakPolarHBondContact O-CD1 3.41Å | ||
| 92 | P | 97.5 | Very high | 95.8 | Very high | 107 Ų | 107 | 24.2 Ų | 24.2 | 70% | 0.695 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 127.1 | 174.1 | -25.4 | 33.2 | 0 | 0 | 0 | 111.3 | V117 | P92-V117 WeakPolarHBondContact CG-O 3.48Š|
| 93 | G | 97 | Very high | 95.4 | Very high | 35 Ų | 35 | 28 Ų | 28 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107 | -28.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K91 G118 | K91-G93 PolarHBondContact O-N 2.91Å; G93-G118 PolarHBondContact N-O 3.06Å |
| 94 | D | 98.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | trans | -68.8 | 156.3 | 176.5 | -65.9 | -21.9 | 0 | 0 | 0 | 111.6 | L90 K91 I119 K120 D138 K140 | L90-D94 HydrophobicContact CB-CB 4.23Å; L90-D94 HydrophobicContact CD2-CB 4.3Å; K91-D94 PolarHBondContact N-OD2 2.89Å; K91-D94 VanDerWaalsContact O-CB 3.27Å; K91-D94 WeakPolarHBondContact O-CB 3.43Å; K91-D94 PolarHBondContact O-N 2.9Å; D94-I119 HydrophobicContact CB-CD1 4.47Å; D94-I119 WeakPolarHBondContact O-CA 3.48Å; D94-K120 PolarHBondContact O-N 2.54Å; D94-D138 CarbonylContact C-O 3.54Å; D94-K140 HydrophobicContact CB-CB 4.32Å; D94-K140 HydrophobicContact CB-CG 3.99Å; D94-K140 WeakPolarHBondContact OD1-CG 3.33Å | ||
| 95 | A | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K120 I122 D138 V139 K140 M141 | A95-K120 CarbonylContact C-O 3.57Å; A95-K120 WeakPolarHBondContact CA-O 3.24Å; A95-K120 HydrophobicContact CB-CB 3.86Å; A95-I122 HydrophobicContact CB-CD1 3.93Å; A95-I122 HydrophobicContact CB-CG1 4.29Å; A95-D138 PolarHBondContact N-O 3.46Å; A95-V139 HydrophobicContact CB-CG2 4.06Å; A95-V139 WeakPolarHBondContact O-CA 3.42Å; A95-K140 PolarHBondContact O-N 3.03Å; A95-M141 PolarHBondContact O-N 3.44Å |
| 96 | I | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121 | 166.8 | -54.3 | 174.8 | 0 | 0 | 0 | 108.1 | T87 L90 F110 L114 I119 K120 I122 M141 W143 | T87-I96 HydrophobicContact CG2-CD1 3.78Å; L90-I96 HydrophobicContact CD1-CD1 3.65Å; L90-I96 HydrophobicContact CD1-CG1 3.39Å; I96-F110 HydrophobicContact CD1-CD1 4.11Å; I96-F110 HydrophobicContact CD1-CE1 3.97Å; I96-F110 HydrophobicContact CD1-CE2 4.49Å; I96-F110 HydrophobicContact CD1-CG 4.46Å; I96-F110 HydrophobicContact CD1-CZ 4.16Å; I96-F110 HydrophobicContact CG2-CD2 4.5Å; I96-F110 HydrophobicContact CG2-CE2 4Å; I96-F110 HydrophobicContact CG2-CZ 4.34Å; I96-L114 HydrophobicContact CD1-CD1 3.62Å; I96-I119 HydrophobicContact CD1-CG2 4.21Å; I96-I119 HydrophobicContact CG1-CG2 4.14Å; I96-K120 PolarHBondContact N-O 2.66Å; I96-I122 PolarHBondContact O-N 3.47Å; I96-M141 CarbonylContact C-O 3.58Å; I96-M141 WeakPolarHBondContact CA-O 3.43Å; I96-M141 HydrophobicContact CD1-SD 4.49Å; I96-M141 HydrophobicContact CG1-CB 4.34Å; I96-M141 HydrophobicContact CG1-SD 4.49Å; I96-M141 HydrophobicContact CG2-CB 4.47Å; I96-M141 HydrophobicContact CG2-CG 4.44Å; I96-W143 HydrophobicContact CG2-CB 3.89Å |
| 97 | L | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.4 | 166.4 | 176.5 | 65.1 | 0 | 0 | 0 | 108.7 | I122 A124 F126 V131 L135 V139 M141 I142 W143 | L97-I122 WeakPolarHBondContact CA-O 3.21Å; L97-I122 HydrophobicContact CD1-CB 4.2Å; L97-I122 HydrophobicContact CD1-CG2 3.81Å; L97-A124 HydrophobicContact CD1-CB 3.62Å; L97-F126 HydrophobicContact CG-CE1 4.22Å; L97-V131 HydrophobicContact CD2-CG2 3.72Å; L97-L135 HydrophobicContact CD2-CD2 3.78Å; L97-V139 HydrophobicContact CB-CG1 3.89Å; L97-V139 HydrophobicContact CB-CG2 4.36Å; L97-M141 PolarHBondContact N-O 2.87Å; L97-I142 CarbonylContact O-C 3.57Å; L97-I142 WeakPolarHBondContact O-CA 3.36Å; L97-W143 PolarHBondContact O-N 2.86Å |
| 98 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M102 F110 Y121 I122 A124 W143 | A98-M102 HydrophobicContact CB-CE 3.31Å; A98-M102 HydrophobicContact CB-SD 3.67Å; A98-F110 HydrophobicContact CB-CE2 4.26Å; A98-Y121 HydrophobicContact CB-CE2 3.69Å; A98-I122 PolarHBondContact N-O 2.63Å; A98-A124 PolarHBondContact O-N 3.41Å; A98-W143 WeakPolarHBondContact CA-O 3.25Å; A98-W143 HydrophobicContact CB-CB 3.81Å |
| 99 | L | 91.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 147.1 | 174.4 | -70.4 | 169.9 | 0 | 0 | 0 | 111.7 | D101 M102 A124 F126 V127 I144 E145 T148 V155 | L99-D101 VanDerWaalsContact C-N 3.34Å; L99-M102 HydrophobicContact CB-CG 3.8Å; L99-M102 HydrophobicContact CB-SD 4.24Å; L99-A124 CarbonylContact C-O 3.57Å; L99-A124 VanDerWaalsContact CA-O 3.32Å; L99-A124 WeakPolarHBondContact CA-O 3.31Å; L99-F126 HydrophobicContact CD2-CD1 4.11Å; L99-F126 HydrophobicContact CD2-CD2 3.89Å; L99-F126 HydrophobicContact CD2-CE1 3.8Å; L99-F126 HydrophobicContact CD2-CE2 3.57Å; L99-F126 HydrophobicContact CD2-CG 4.15Å; L99-F126 HydrophobicContact CD2-CZ 3.53Å; L99-F126 HydrophobicContact CG-CE1 4.12Å; L99-F126 HydrophobicContact CG-CE2 4.03Å; L99-F126 HydrophobicContact CG-CZ 3.64Å; L99-V127 HydrophobicContact CD2-CG2 3.86Å; L99-I144 HydrophobicContact CD1-CG2 4.32Å; L99-E145 WeakPolarHBondContact CD1-O 3.46Å; L99-T148 HydrophobicContact CD1-CG2 3.71Å; L99-V155 HydrophobicContact CD1-CG2 3.52Å; L99-V155 HydrophobicContact CD2-CG2 3.94Å; L99-V155 HydrophobicContact CG-CG2 4.26Å |
| 100 | S | 85.2 | Confident | 93.2 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -71.6 | -27 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | M107 M123 A124 L372 | S100-M107 WeakPolarHBondContact O-CE 3.49Å; S100-M123 VanDerWaalsContact CA-CG 3.45Å; S100-A124 PolarHBondContact N-O 2.89Å; S100-L372 VanDerWaalsContact O-CD1 3.26Å; S100-L372 WeakPolarHBondContact O-CD1 3.32Å; S100-L372 VanDerWaalsContact OG-CD2 3.29Å; S100-L372 WeakPolarHBondContact OG-CD2 3.48Å |
| 101 | D | 84.1 | Confident | 92.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -111.1 | 91.5 | 174.9 | 65.3 | -33.2 | 0 | 0 | 0 | 111.2 | L99 T148 L151 R153 L372 | L99-D101 VanDerWaalsContact C-N 3.34Å; D101-T148 WeakPolarHBondContact O-CB 3.44Å; D101-T148 VanDerWaalsContact O-CG2 3.24Å; D101-T148 WeakPolarHBondContact O-CG2 3.41Å; D101-T148 WeakPolarHBondContact OD1-CG2 3.4Å; D101-T148 WeakPolarHBondContact OD2-CB 3.34Å; D101-T148 WeakPolarHBondContact OD2-CG2 3.44Å; D101-T148 PolarHBondContact OD2-OG1 3.43Å; D101-L151 HydrophobicContact CB-CD1 4.12Å; D101-R153 VanDerWaalsContact CG-NH2 3.25Å; D101-R153 IonicContact OD1-CZ 3.97Å; D101-R153 IonicContact OD1-NE 3.63Å; D101-R153 PolarHBondContact OD1-NE 3.18Å; D101-R153 IonicContact OD1-NH2 3.52Å; D101-R153 PolarHBondContact OD1-NH2 2.92Å; D101-R153 IonicContact OD2-CZ 3.88Å; D101-R153 IonicContact OD2-NE 3.32Å; D101-R153 PolarHBondContact OD2-NE 3.14Å; D101-R153 IonicContact OD2-NH2 3.47Å; D101-L372 HydrophobicContact CB-CD1 4.1Å; D101-L372 HydrophobicContact CB-CD2 4.03Å |
| 102 | M | 88.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -128.9 | 174.6 | 172.4 | -62 | -174.9 | -56.3 | 0 | 0 | 109.1 | A98 L99 G104 T106 M107 F110 Y121 W143 E145 N149 H361 | A98-M102 HydrophobicContact CB-CE 3.31Å; A98-M102 HydrophobicContact CB-SD 3.67Å; L99-M102 HydrophobicContact CB-CG 3.8Å; L99-M102 HydrophobicContact CB-SD 4.24Å; M102-G104 PolarHBondContact O-N 3.28Å; M102-T106 HydrophobicContact CE-CG2 4.22Å; M102-M107 HydrophobicContact CB-CG 4.36Å; M102-M107 HydrophobicContact CE-CG 4.3Å; M102-F110 HydrophobicContact CE-CD2 4.31Å; M102-F110 HydrophobicContact CE-CE2 4.08Å; M102-Y121 HydrophobicContact CE-CE2 4.45Å; M102-W143 HydrophobicContact SD-CG 4.41Å; M102-E145 WeakPolarHBondContact CA-OE2 3.46Å; M102-E145 WeakPolarHBondContact CB-OE2 3.16Å; M102-E145 HydrophobicContact CG-CB 4.15Å; M102-N149 CarbonylContact C-O 3.48Å; M102-H361 PolarHBondContact O-NE2 3Å |
| 103 | Y | 89.7 | Confident | 92.6 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 31% | 0.314 | 14% | 0.141 | S | C | . | . | trans | -46.6 | 120.8 | 169.8 | 173.1 | -127 | 0 | 0 | 0 | 111.7 | L80 G105 T106 M107 E145 | L80-Y103 HydrophobicContact CD2-CE1 4.31Å; L80-Y103 HydrophobicContact CG-CE1 4.49Å; Y103-G105 PolarHBondContact O-N 2.91Å; Y103-T106 WeakPolarHBondContact CD1-OG1 3.25Å; Y103-T106 WeakPolarHBondContact O-CA 2.97Å; Y103-T106 WeakPolarHBondContact O-CB 3.43Å; Y103-T106 PolarHBondContact O-N 3.23Å; Y103-M107 PolarHBondContact O-N 3.39Å; Y103-E145 PolarHBondContact N-OE2 3.11Å | ||
| 104 | G | 86.4 | Confident | 92.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -20.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M102 R108 S363 | M102-G104 PolarHBondContact O-N 3.28Å; G104-R108 WeakPolarHBondContact O-CB 3.27Å; G104-R108 PolarHBondContact O-N 2.91Å; G104-R108 VanDerWaalsContact O-N 3.1Å; G104-S363 PolarHBondContact O-OG 3.36Å |
| 105 | G | 90.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.7 | -38.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y103 R108 F109 | Y103-G105 PolarHBondContact O-N 2.91Å; G105-R108 PolarHBondContact O-N 3.32Å; G105-F109 WeakPolarHBondContact O-CB 3.19Å; G105-F109 PolarHBondContact O-N 2.87Å |
| 106 | T | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -49.8 | 173.4 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | I83 M102 Y103 R108 F109 F110 | I83-T106 HydrophobicContact CD1-CG2 4.29Å; I83-T106 WeakPolarHBondContact CD1-OG1 3.43Å; M102-T106 HydrophobicContact CE-CG2 4.22Å; Y103-T106 WeakPolarHBondContact CD1-OG1 3.25Å; Y103-T106 WeakPolarHBondContact O-CA 2.97Å; Y103-T106 WeakPolarHBondContact O-CB 3.43Å; Y103-T106 PolarHBondContact O-N 3.23Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.48Å; T106-F109 WeakPolarHBondContact O-CB 3.21Å; T106-F109 PolarHBondContact O-N 3.04Å; T106-F109 VanDerWaalsContact O-N 3.1Å; T106-F110 HydrophobicContact CG2-CD1 4.5Å; T106-F110 HydrophobicContact CG2-CD2 4.15Å; T106-F110 HydrophobicContact CG2-CE1 4Å; T106-F110 HydrophobicContact CG2-CE2 3.63Å; T106-F110 HydrophobicContact CG2-CZ 3.54Å; T106-F110 WeakPolarHBondContact O-CG 3.42Å; T106-F110 PolarHBondContact O-N 3.42Å |
| 107 | M | 90.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.3 | -60.4 | 174.7 | 78.9 | 0 | 0 | 112.3 | S100 M102 Y103 N111 M123 V364 | S100-M107 WeakPolarHBondContact O-CE 3.49Å; M102-M107 HydrophobicContact CB-CG 4.36Å; M102-M107 HydrophobicContact CE-CG 4.3Å; Y103-M107 PolarHBondContact O-N 3.39Å; M107-N111 VanDerWaalsContact O-CB 3.29Å; M107-N111 WeakPolarHBondContact O-CB 3.45Å; M107-N111 PolarHBondContact O-N 3.45Å; M107-M123 HydrophobicContact CE-CE 3.37Å; M107-M123 HydrophobicContact CE-SD 3.96Å; M107-V364 HydrophobicContact CE-CG1 4.06Å; M107-V364 HydrophobicContact CE-CG2 4Å; M107-V364 HydrophobicContact SD-CG2 3.54Å; M107-V364 VanDerWaalsContact SD-CG2 3.54Å |
| 108 | R | 91.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 41.4 Ų | 41.4 | 36% | 0.362 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.8 | -179.5 | 178 | 62.4 | -108.7 | 1.6 | 111.3 | G104 G105 T106 Q112 S363 | G104-R108 WeakPolarHBondContact O-CB 3.27Å; G104-R108 PolarHBondContact O-N 2.91Å; G104-R108 VanDerWaalsContact O-N 3.1Å; G105-R108 PolarHBondContact O-N 3.32Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.48Å; R108-Q112 HydrophobicContact CG-CG 4.45Å; R108-Q112 VanDerWaalsContact O-CB 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.29Å; R108-Q112 PolarHBondContact O-N 3.33Å; R108-S363 PolarHBondContact NH1-OG 3.27Å |
| 109 | F | 95.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -49.4 | 178 | 178.1 | -104.4 | 0 | 0 | 0 | 111.3 | L80 I83 T87 G105 T106 N111 V113 L114 | L80-F109 HydrophobicContact CD2-CB 4.4Å; I83-F109 HydrophobicContact CG2-CD1 3.81Å; I83-F109 HydrophobicContact CG2-CE1 4Å; T87-F109 HydrophobicContact CG2-CE1 4.41Å; T87-F109 WeakPolarHBondContact OG1-CE1 3.44Å; G105-F109 WeakPolarHBondContact O-CB 3.19Å; G105-F109 PolarHBondContact O-N 2.87Å; T106-F109 WeakPolarHBondContact O-CB 3.21Å; T106-F109 PolarHBondContact O-N 3.04Å; T106-F109 VanDerWaalsContact O-N 3.1Å; F109-N111 PolarHBondContact O-N 2.87Å; F109-V113 HydrophobicContact CD2-CB 3.77Å; F109-V113 HydrophobicContact CD2-CG1 4.08Å; F109-V113 HydrophobicContact CD2-CG2 3.85Å; F109-V113 HydrophobicContact CE2-CB 3.92Å; F109-V113 HydrophobicContact CE2-CG1 3.71Å; F109-V113 HydrophobicContact CE2-CG2 4.33Å; F109-V113 HydrophobicContact CG-CB 4.5Å; F109-V113 HydrophobicContact CZ-CG1 4.47Å; F109-V113 WeakPolarHBondContact O-CA 3.38Å; F109-V113 VanDerWaalsContact O-CB 3.27Å; F109-V113 WeakPolarHBondContact O-CB 3.48Å; F109-V113 PolarHBondContact O-N 3.23Å; F109-L114 HydrophobicContact CD1-CD1 4.2Å; F109-L114 HydrophobicContact CD1-CG 4.13Å; F109-L114 HydrophobicContact CE1-CD1 3.79Å; F109-L114 HydrophobicContact CE1-CD2 3.79Å; F109-L114 HydrophobicContact CE1-CG 3.67Å; F109-L114 HydrophobicContact CZ-CD2 3.75Å; F109-L114 HydrophobicContact CZ-CG 4.05Å; F109-L114 PolarHBondContact O-N 2.95Å |
| 110 | F | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.8 | -67.7 | -7.1 | 0 | 0 | 0 | 112.2 | I83 T87 I96 A98 M102 T106 L114 G115 Y121 W143 | I83-F110 HydrophobicContact CG2-CE1 3.78Å; I83-F110 HydrophobicContact CG2-CZ 4.38Å; T87-F110 HydrophobicContact CG2-CE1 3.85Å; I96-F110 HydrophobicContact CD1-CD1 4.11Å; I96-F110 HydrophobicContact CD1-CE1 3.97Å; I96-F110 HydrophobicContact CD1-CE2 4.49Å; I96-F110 HydrophobicContact CD1-CG 4.46Å; I96-F110 HydrophobicContact CD1-CZ 4.16Å; I96-F110 HydrophobicContact CG2-CD2 4.5Å; I96-F110 HydrophobicContact CG2-CE2 4Å; I96-F110 HydrophobicContact CG2-CZ 4.34Å; A98-F110 HydrophobicContact CB-CE2 4.26Å; M102-F110 HydrophobicContact CE-CD2 4.31Å; M102-F110 HydrophobicContact CE-CE2 4.08Å; T106-F110 HydrophobicContact CG2-CD1 4.5Å; T106-F110 HydrophobicContact CG2-CD2 4.15Å; T106-F110 HydrophobicContact CG2-CE1 4Å; T106-F110 HydrophobicContact CG2-CE2 3.63Å; T106-F110 HydrophobicContact CG2-CZ 3.54Å; T106-F110 WeakPolarHBondContact O-CG 3.42Å; T106-F110 PolarHBondContact O-N 3.42Å; F110-L114 HydrophobicContact CD1-CD1 3.56Å; F110-L114 HydrophobicContact CD1-CG 4.47Å; F110-L114 HydrophobicContact CE1-CD1 4.1Å; F110-L114 HydrophobicContact CG-CD1 4.43Å; F110-L114 WeakPolarHBondContact O-CB 3.49Å; F110-G115 PolarHBondContact O-N 3.4Å; F110-G115 VanDerWaalsContact O-N 3.14Å; F110-Y121 HydrophobicContact CB-CD1 4.16Å; F110-Y121 HydrophobicContact CB-CD2 3.92Å; F110-Y121 HydrophobicContact CB-CE2 4.41Å; F110-Y121 HydrophobicContact CB-CG 3.79Å; F110-Y121 AromaticContact CD2-CD2 3.68Å; F110-Y121 HydrophobicContact CD2-CD2 3.68Å; F110-Y121 AromaticContact CD2-CE2 3.65Å; F110-Y121 HydrophobicContact CD2-CE2 3.65Å; F110-Y121 HydrophobicContact CD2-CG 4.41Å; F110-Y121 HydrophobicContact CE2-CE2 4.47Å; F110-Y121 HydrophobicContact CG-CD2 4.23Å; F110-W143 HydrophobicContact CE2-CB 4.26Å; F110-W143 HydrophobicContact CE2-CD2 4.16Å; F110-W143 AromaticContact CE2-CG 3.98Å; F110-W143 HydrophobicContact CE2-CG 3.98Å; F110-W143 HydrophobicContact CZ-CB 4.46Å; F110-W143 AromaticContact CZ-CD2 3.61Å; F110-W143 HydrophobicContact CZ-CD2 3.61Å; F110-W143 AromaticContact CZ-CE3 3.71Å; F110-W143 HydrophobicContact CZ-CE3 3.71Å; F110-W143 AromaticContact CZ-CG 3.93Å; F110-W143 HydrophobicContact CZ-CG 3.93Å; F110-W143 HydrophobicContact CZ-CZ3 4.22Å |
| 111 | N | 90.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -74.9 | -48.5 | -176.5 | -170.1 | 10.7 | 0 | 0 | 0 | 112.9 | M107 F109 | M107-N111 VanDerWaalsContact O-CB 3.29Å; M107-N111 WeakPolarHBondContact O-CB 3.45Å; M107-N111 PolarHBondContact O-N 3.45Å; F109-N111 PolarHBondContact O-N 2.87Å |
| 112 | Q | 92.2 | Very high | 93.3 | Very high | 103 Ų | 103 | 50.8 Ų | 50.8 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -96.9 | -16.3 | -167.3 | -56.9 | -173.8 | 8.8 | 0 | 0 | 114.5 | R108 K116 | R108-Q112 HydrophobicContact CG-CG 4.45Å; R108-Q112 VanDerWaalsContact O-CB 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.29Å; R108-Q112 PolarHBondContact O-N 3.33Å; Q112-K116 WeakPolarHBondContact O-CD 3.32Å; Q112-K116 WeakPolarHBondContact O-CE 3.15Å |
| 113 | V | 96.3 | Very high | 93.4 | Very high | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -59.4 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | F109 G115 K116 | F109-V113 HydrophobicContact CD2-CB 3.77Å; F109-V113 HydrophobicContact CD2-CG1 4.08Å; F109-V113 HydrophobicContact CD2-CG2 3.85Å; F109-V113 HydrophobicContact CE2-CB 3.92Å; F109-V113 HydrophobicContact CE2-CG1 3.71Å; F109-V113 HydrophobicContact CE2-CG2 4.33Å; F109-V113 HydrophobicContact CG-CB 4.5Å; F109-V113 HydrophobicContact CZ-CG1 4.47Å; F109-V113 WeakPolarHBondContact O-CA 3.38Å; F109-V113 VanDerWaalsContact O-CB 3.27Å; F109-V113 WeakPolarHBondContact O-CB 3.48Å; F109-V113 PolarHBondContact O-N 3.23Å; V113-G115 PolarHBondContact O-N 3.34Å; V113-K116 WeakPolarHBondContact O-CB 3.41Å; V113-K116 PolarHBondContact O-N 3.01Å; V113-K116 VanDerWaalsContact O-N 3.17Å |
| 114 | L | 96.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.9 | -37.6 | -177.3 | -63.8 | -172.2 | 0 | 0 | 0 | 112.9 | T87 I96 F109 F110 K116 V117 G118 I119 | T87-L114 HydrophobicContact CG2-CD1 3.79Å; I96-L114 HydrophobicContact CD1-CD1 3.62Å; F109-L114 HydrophobicContact CD1-CD1 4.2Å; F109-L114 HydrophobicContact CD1-CG 4.13Å; F109-L114 HydrophobicContact CE1-CD1 3.79Å; F109-L114 HydrophobicContact CE1-CD2 3.79Å; F109-L114 HydrophobicContact CE1-CG 3.67Å; F109-L114 HydrophobicContact CZ-CD2 3.75Å; F109-L114 HydrophobicContact CZ-CG 4.05Å; F109-L114 PolarHBondContact O-N 2.95Å; F110-L114 HydrophobicContact CD1-CD1 3.56Å; F110-L114 HydrophobicContact CD1-CG 4.47Å; F110-L114 HydrophobicContact CE1-CD1 4.1Å; F110-L114 HydrophobicContact CG-CD1 4.43Å; F110-L114 WeakPolarHBondContact O-CB 3.49Å; L114-K116 PolarHBondContact O-N 2.97Å; L114-K116 VanDerWaalsContact O-N 3.12Å; L114-V117 HydrophobicContact CD2-CG2 4.5Å; L114-V117 WeakPolarHBondContact O-CG2 3.44Å; L114-V117 PolarHBondContact O-N 3.26Å; L114-G118 PolarHBondContact O-N 2.85Å; L114-I119 CarbonylContact C-O 3.53Å; L114-I119 HydrophobicContact CB-CB 4.01Å; L114-I119 HydrophobicContact CB-CG2 4.37Å; L114-I119 HydrophobicContact CD1-CG2 4.42Å; L114-I119 PolarHBondContact O-N 2.87Å |
| 115 | G | 94 | Very high | 93.7 | Very high | 44 Ų | 44 | 53 Ų | 53 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -56.1 | -28.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F110 V113 I119 | F110-G115 PolarHBondContact O-N 3.4Å; F110-G115 VanDerWaalsContact O-N 3.14Å; V113-G115 PolarHBondContact O-N 3.34Å; G115-I119 WeakPolarHBondContact CA-O 3.21Å |
| 116 | K | 95.7 | Very high | 93.8 | Very high | 178 Ų | 178 | 53.2 Ų | 53.2 | 77% | 0.774 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -75.9 | -22.2 | 178.1 | -66 | -178.4 | 178.3 | 174.7 | 0 | 113.7 | Q112 V113 L114 | Q112-K116 WeakPolarHBondContact O-CD 3.32Å; Q112-K116 WeakPolarHBondContact O-CE 3.15Å; V113-K116 WeakPolarHBondContact O-CB 3.41Å; V113-K116 PolarHBondContact O-N 3.01Å; V113-K116 VanDerWaalsContact O-N 3.17Å; L114-K116 PolarHBondContact O-N 2.97Å; L114-K116 VanDerWaalsContact O-N 3.12Å |
| 117 | V | 96.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 54 Ų | 54 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -103.4 | 15.8 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 112 | P92 L114 I119 | P92-V117 WeakPolarHBondContact CG-O 3.48Å; L114-V117 HydrophobicContact CD2-CG2 4.5Å; L114-V117 WeakPolarHBondContact O-CG2 3.44Å; L114-V117 PolarHBondContact O-N 3.26Å; V117-I119 HydrophobicContact CG2-CG1 4.22Å |
| 118 | G | 96.5 | Very high | 93.8 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 11.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | G93 L114 | G93-G118 PolarHBondContact N-O 3.06Å; L114-G118 PolarHBondContact O-N 2.85Å |
| 119 | I | 98.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | trans | -87.6 | 125.2 | 170.7 | -53.3 | -55.4 | 0 | 0 | 0 | 108.6 | L90 K91 D94 I96 L114 G115 V117 | L90-I119 HydrophobicContact CB-CD1 3.72Å; L90-I119 HydrophobicContact CB-CG1 4.39Å; L90-I119 HydrophobicContact CD1-CG2 3.88Å; K91-I119 WeakPolarHBondContact O-CD1 3.41Å; D94-I119 HydrophobicContact CB-CD1 4.47Å; D94-I119 WeakPolarHBondContact O-CA 3.48Å; I96-I119 HydrophobicContact CD1-CG2 4.21Å; I96-I119 HydrophobicContact CG1-CG2 4.14Å; L114-I119 CarbonylContact C-O 3.53Å; L114-I119 HydrophobicContact CB-CB 4.01Å; L114-I119 HydrophobicContact CB-CG2 4.37Å; L114-I119 HydrophobicContact CD1-CG2 4.42Å; L114-I119 PolarHBondContact O-N 2.87Å; G115-I119 WeakPolarHBondContact CA-O 3.21Å; V117-I119 HydrophobicContact CG2-CG1 4.22Å | ||
| 120 | K | 95.5 | Very high | 93.8 | Very high | 107 Ų | 107 | 59 Ų | 59 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 147.9 | -179.8 | -57.8 | 178.5 | -162.4 | 162.6 | 0 | 110.8 | D94 A95 I96 D138 | D94-K120 PolarHBondContact O-N 2.54Å; A95-K120 CarbonylContact C-O 3.57Å; A95-K120 WeakPolarHBondContact CA-O 3.24Å; A95-K120 HydrophobicContact CB-CB 3.86Å; I96-K120 PolarHBondContact N-O 2.66Å; K120-D138 IonicContact NZ-OD2 2.63Å; K120-D138 PolarHBondContact NZ-OD2 2.82Å |
| 121 | Y | 92.3 | Very high | 93.8 | Very high | 46 Ų | 46 | 59 Ų | 59 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113.1 | 174.3 | 172.2 | -129.9 | 0 | 0 | 0 | 109.4 | A98 M102 F110 M123 | A98-Y121 HydrophobicContact CB-CE2 3.69Å; M102-Y121 HydrophobicContact CE-CE2 4.45Å; F110-Y121 HydrophobicContact CB-CD1 4.16Å; F110-Y121 HydrophobicContact CB-CD2 3.92Å; F110-Y121 HydrophobicContact CB-CE2 4.41Å; F110-Y121 HydrophobicContact CB-CG 3.79Å; F110-Y121 AromaticContact CD2-CD2 3.68Å; F110-Y121 HydrophobicContact CD2-CD2 3.68Å; F110-Y121 AromaticContact CD2-CE2 3.65Å; F110-Y121 HydrophobicContact CD2-CE2 3.65Å; F110-Y121 HydrophobicContact CD2-CG 4.41Å; F110-Y121 HydrophobicContact CE2-CE2 4.47Å; F110-Y121 HydrophobicContact CG-CD2 4.23Å; Y121-M123 HydrophobicContact CE1-CB 4.1Å; Y121-M123 HydrophobicContact CE1-CE 3.59Å |
| 122 | I | 93.5 | Very high | 94 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.2 | 176.8 | -56.4 | 177 | 0 | 0 | 0 | 107.6 | A95 I96 L97 A98 V139 | A95-I122 HydrophobicContact CB-CD1 3.93Å; A95-I122 HydrophobicContact CB-CG1 4.29Å; I96-I122 PolarHBondContact O-N 3.47Å; L97-I122 WeakPolarHBondContact CA-O 3.21Å; L97-I122 HydrophobicContact CD1-CB 4.2Å; L97-I122 HydrophobicContact CD1-CG2 3.81Å; A98-I122 PolarHBondContact N-O 2.63Å; I122-V139 HydrophobicContact CD1-CG2 3.78Å |
| 123 | M | 91.2 | Very high | 94.2 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | 175.5 | -169.4 | -173.2 | -56.6 | 0 | 0 | 109.3 | S100 M107 Y121 I368 | S100-M123 VanDerWaalsContact CA-CG 3.45Å; M107-M123 HydrophobicContact CE-CE 3.37Å; M107-M123 HydrophobicContact CE-SD 3.96Å; Y121-M123 HydrophobicContact CE1-CB 4.1Å; Y121-M123 HydrophobicContact CE1-CE 3.59Å; M123-I368 HydrophobicContact CE-CD1 4.17Å; M123-I368 HydrophobicContact SD-CD1 4.32Å; M123-I368 HydrophobicContact SD-CG2 4.05Å |
| 124 | A | 91.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L97 A98 L99 S100 F126 Y134 | L97-A124 HydrophobicContact CD1-CB 3.62Å; A98-A124 PolarHBondContact O-N 3.41Å; L99-A124 CarbonylContact C-O 3.57Å; L99-A124 VanDerWaalsContact CA-O 3.32Å; L99-A124 WeakPolarHBondContact CA-O 3.31Å; S100-A124 PolarHBondContact N-O 2.89Å; A124-F126 HydrophobicContact CB-CD1 4.01Å; A124-Y134 HydrophobicContact CB-CD1 3.47Å; A124-Y134 VanDerWaalsContact CB-CD1 3.47Å; A124-Y134 HydrophobicContact CB-CE1 3.89Å; A124-Y134 HydrophobicContact CB-CG 3.9Å |
| 125 | D | 90.8 | Very high | 94 | Very high | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -109.1 | 90.6 | 170.7 | -175.4 | 21 | 0 | 0 | 0 | 110.1 | K129 Y134 R153 | D125-K129 WeakPolarHBondContact O-CD 3.46Å; D125-K129 PolarHBondContact O-NZ 2.96Å; D125-Y134 PolarHBondContact O-OH 2.74Å; D125-R153 VanDerWaalsContact CG-NH1 3.25Å; D125-R153 IonicContact OD1-CZ 2.63Å; D125-R153 VanDerWaalsContact OD1-CZ 3.25Å; D125-R153 IonicContact OD1-NH1 2.84Å; D125-R153 PolarHBondContact OD1-NH1 2.97Å; D125-R153 IonicContact OD1-NH2 3.41Å; D125-R153 PolarHBondContact OD1-NH2 3.25Å; D125-R153 IonicContact OD2-NH1 3.07Å; D125-R153 PolarHBondContact OD2-NH1 3.05Å | ||
| 126 | F | 92.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | trans | -104.7 | 16.5 | -179.9 | 55.6 | -98.3 | 0 | 0 | 0 | 113.2 | L97 L99 A124 G128 K129 V131 Y134 I142 V155 V160 | L97-F126 HydrophobicContact CG-CE1 4.22Å; L99-F126 HydrophobicContact CD2-CD1 4.11Å; L99-F126 HydrophobicContact CD2-CD2 3.89Å; L99-F126 HydrophobicContact CD2-CE1 3.8Å; L99-F126 HydrophobicContact CD2-CE2 3.57Å; L99-F126 HydrophobicContact CD2-CG 4.15Å; L99-F126 HydrophobicContact CD2-CZ 3.53Å; L99-F126 HydrophobicContact CG-CE1 4.12Å; L99-F126 HydrophobicContact CG-CE2 4.03Å; L99-F126 HydrophobicContact CG-CZ 3.64Å; A124-F126 HydrophobicContact CB-CD1 4.01Å; F126-G128 PolarHBondContact O-N 2.95Å; F126-K129 PolarHBondContact O-N 3.06Å; F126-V131 HydrophobicContact CB-CG2 4.45Å; F126-V131 HydrophobicContact CD1-CG2 4.26Å; F126-V131 HydrophobicContact CD2-CB 4.41Å; F126-V131 HydrophobicContact CD2-CG2 4.08Å; F126-V131 HydrophobicContact CE2-CG2 4.37Å; F126-V131 HydrophobicContact CG-CB 4.47Å; F126-V131 HydrophobicContact CG-CG2 4.02Å; F126-Y134 HydrophobicContact CB-CD2 3.84Å; F126-Y134 HydrophobicContact CB-CE2 3.65Å; F126-I142 HydrophobicContact CZ-CG2 4.23Å; F126-V155 HydrophobicContact CE2-CG1 4.14Å; F126-V155 HydrophobicContact CE2-CG2 4.49Å; F126-V160 HydrophobicContact CD2-CG2 4.43Å; F126-V160 HydrophobicContact CE2-CG2 4.34Å | ||
| 127 | V | 92.7 | Very high | 94 | Very high | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 118 | 172.8 | 179 | 0 | 0 | 0 | 0 | 109.3 | L99 K129 R153 V155 | L99-V127 HydrophobicContact CD2-CG2 3.86Å; V127-K129 PolarHBondContact O-N 3.16Å; V127-R153 HydrophobicContact CG1-CB 4.45Å; V127-R153 HydrophobicContact CG2-CB 4.24Å; V127-V155 HydrophobicContact CG2-CG2 4.05Å |
| 128 | G | 91.4 | Very high | 94 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 88% | 0.876 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 16.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F126 | F126-G128 PolarHBondContact O-N 2.95Š|
| 129 | K | 93.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -126.3 | 163.2 | 178 | -55.6 | 178.6 | -164.1 | 155.1 | 0 | 110.1 | D125 F126 V127 V131 Y134 | D125-K129 WeakPolarHBondContact O-CD 3.46Å; D125-K129 PolarHBondContact O-NZ 2.96Å; F126-K129 PolarHBondContact O-N 3.06Å; V127-K129 PolarHBondContact O-N 3.16Å; K129-V131 PolarHBondContact O-N 3.09Å; K129-Y134 WeakPolarHBondContact CD-OH 3.38Å |
| 130 | N | 93.5 | Very high | 94.1 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | trans | -73 | 115.4 | 176.5 | -172.6 | -11.2 | 0 | 0 | 0 | 110.6 | E132 E133 I163 | N130-E132 PolarHBondContact O-N 3.09Å; N130-E132 WeakPolarHBondContact OD1-CB 3.4Å; N130-E132 PolarHBondContact OD1-N 3.35Å; N130-E133 HydrophobicContact CB-CG 4.33Å; N130-E133 PolarHBondContact O-N 2.84Å; N130-I163 WeakPolarHBondContact OD1-CD1 3.26Å | ||
| 131 | V | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -63.2 | -23.6 | 179.6 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | L97 F126 K129 E133 Y134 I142 V160 I163 | L97-V131 HydrophobicContact CD2-CG2 3.72Å; F126-V131 HydrophobicContact CB-CG2 4.45Å; F126-V131 HydrophobicContact CD1-CG2 4.26Å; F126-V131 HydrophobicContact CD2-CB 4.41Å; F126-V131 HydrophobicContact CD2-CG2 4.08Å; F126-V131 HydrophobicContact CE2-CG2 4.37Å; F126-V131 HydrophobicContact CG-CB 4.47Å; F126-V131 HydrophobicContact CG-CG2 4.02Å; K129-V131 PolarHBondContact O-N 3.09Å; V131-E133 PolarHBondContact O-N 2.7Å; V131-Y134 PolarHBondContact O-N 3.37Å; V131-I142 HydrophobicContact CG2-CD1 4.13Å; V131-I142 HydrophobicContact CG2-CG2 4.47Å; V131-V160 HydrophobicContact CB-CG2 4.34Å; V131-V160 HydrophobicContact CG1-CB 4.48Å; V131-V160 HydrophobicContact CG1-CG1 4.18Å; V131-V160 HydrophobicContact CG1-CG2 4.32Å; V131-V160 HydrophobicContact CG2-CG1 4.37Å; V131-I163 HydrophobicContact CG1-CB 3.85Å; V131-I163 HydrophobicContact CG1-CD1 3.74Å; V131-I163 HydrophobicContact CG1-CG1 4.4Å; V131-I163 HydrophobicContact CG1-CG2 3.6Å |
| 132 | E | 94.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 51 Ų | 51 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -58.3 | -31.1 | 179 | -164.6 | 165 | -176.8 | 0 | 0 | 112 | N130 Y134 L135 I163 K166 | N130-E132 PolarHBondContact O-N 3.09Å; N130-E132 WeakPolarHBondContact OD1-CB 3.4Å; N130-E132 PolarHBondContact OD1-N 3.35Å; E132-Y134 PolarHBondContact O-N 3.21Å; E132-L135 PolarHBondContact O-N 3.03Å; E132-I163 HydrophobicContact CB-CG2 3.87Å; E132-I163 HydrophobicContact CG-CG2 4.36Å; E132-K166 IonicContact OE2-NZ 3.41Å; E132-K166 PolarHBondContact OE2-NZ 3.48Å |
| 133 | E | 95.1 | Very high | 94.8 | Very high | 144 Ų | 144 | 48.6 Ų | 48.6 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65 | -18.4 | 177.8 | -63.6 | 176.5 | -160.2 | 0 | 0 | 113.6 | N130 V131 | N130-E133 HydrophobicContact CB-CG 4.33Å; N130-E133 PolarHBondContact O-N 2.84Å; V131-E133 PolarHBondContact O-N 2.7Å |
| 134 | Y | 95 | Very high | 95.1 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -104.8 | -3.9 | -178.1 | -57.6 | -84.1 | 0 | 0 | 0 | 113.1 | A124 D125 F126 K129 V131 E132 | A124-Y134 HydrophobicContact CB-CD1 3.47Å; A124-Y134 VanDerWaalsContact CB-CD1 3.47Å; A124-Y134 HydrophobicContact CB-CE1 3.89Å; A124-Y134 HydrophobicContact CB-CG 3.9Å; D125-Y134 PolarHBondContact O-OH 2.74Å; F126-Y134 HydrophobicContact CB-CD2 3.84Å; F126-Y134 HydrophobicContact CB-CE2 3.65Å; K129-Y134 WeakPolarHBondContact CD-OH 3.38Å; V131-Y134 PolarHBondContact O-N 3.37Å; E132-Y134 PolarHBondContact O-N 3.21Å |
| 135 | L | 95.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | trans | -80.3 | 135.9 | -178.7 | -64.4 | 179.6 | 0 | 0 | 0 | 111.1 | L97 E132 V139 I142 I163 L170 | L97-L135 HydrophobicContact CD2-CD2 3.78Å; E132-L135 PolarHBondContact O-N 3.03Å; L135-V139 HydrophobicContact CD2-CB 4.4Å; L135-V139 HydrophobicContact CD2-CG1 3.88Å; L135-I142 HydrophobicContact CD2-CD1 3.95Å; L135-I142 HydrophobicContact CD2-CG1 4.2Å; L135-I163 HydrophobicContact CD1-CG2 4.29Å; L135-L170 HydrophobicContact CD1-CD2 4.04Å; L135-L170 HydrophobicContact CD2-CD2 3.97Å | ||
| 136 | T | 94.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | trans | -125 | 159.4 | 169.6 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | D138 V139 | T136-D138 WeakPolarHBondContact CB-OD1 3.33Å; T136-D138 PolarHBondContact O-N 3.15Å; T136-D138 PolarHBondContact OG1-OD1 3.39Å; T136-V139 WeakPolarHBondContact O-CB 3.28Å; T136-V139 PolarHBondContact O-N 3.06Å; T136-V139 WeakPolarHBondContact OG1-CG2 3.2Å | ||
| 137 | P | 94.8 | Very high | 95.9 | Very high | 121 Ų | 121 | 42.9 Ų | 42.9 | 79% | 0.786 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.7 | -176.1 | -28.4 | 36.3 | 0 | 0 | 0 | 115.3 | K140 | P137-K140 PolarHBondContact O-NZ 3.27Š|
| 138 | D | 96.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.9 | 176.1 | 60.1 | -33.2 | 0 | 0 | 0 | 114 | D94 A95 K120 T136 K140 | D94-D138 CarbonylContact C-O 3.54Å; A95-D138 PolarHBondContact N-O 3.46Å; K120-D138 IonicContact NZ-OD2 2.63Å; K120-D138 PolarHBondContact NZ-OD2 2.82Å; T136-D138 WeakPolarHBondContact CB-OD1 3.33Å; T136-D138 PolarHBondContact O-N 3.15Å; T136-D138 PolarHBondContact OG1-OD1 3.39Å; D138-K140 PolarHBondContact O-N 2.65Å |
| 139 | V | 97.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 116.9 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | A95 L97 I122 L135 T136 L170 | A95-V139 HydrophobicContact CB-CG2 4.06Å; A95-V139 WeakPolarHBondContact O-CA 3.42Å; L97-V139 HydrophobicContact CB-CG1 3.89Å; L97-V139 HydrophobicContact CB-CG2 4.36Å; I122-V139 HydrophobicContact CD1-CG2 3.78Å; L135-V139 HydrophobicContact CD2-CB 4.4Å; L135-V139 HydrophobicContact CD2-CG1 3.88Å; T136-V139 WeakPolarHBondContact O-CB 3.28Å; T136-V139 PolarHBondContact O-N 3.06Å; T136-V139 WeakPolarHBondContact OG1-CG2 3.2Å; V139-L170 HydrophobicContact CG1-CD1 3.9Å |
| 140 | K | 98.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 34 Ų | 34 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -6 | 177 | -59.6 | -52.8 | 179 | -157.2 | 0 | 113.5 | L90 D94 A95 P137 D138 L170 L171 | L90-K140 HydrophobicContact CD2-CB 3.79Å; D94-K140 HydrophobicContact CB-CB 4.32Å; D94-K140 HydrophobicContact CB-CG 3.99Å; D94-K140 WeakPolarHBondContact OD1-CG 3.33Å; A95-K140 PolarHBondContact O-N 3.03Å; P137-K140 PolarHBondContact O-NZ 3.27Å; D138-K140 PolarHBondContact O-N 2.65Å; K140-L170 VanDerWaalsContact C-CD1 3.42Å; K140-L171 PolarHBondContact O-N 2.74Å |
| 141 | M | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 129.4 | 177.5 | -173.9 | 175.8 | -69.1 | 0 | 0 | 111.1 | I86 T87 L90 A95 I96 L97 W143 L171 V173 M193 | I86-M141 HydrophobicContact CG2-CE 3.63Å; I86-M141 HydrophobicContact CG2-SD 4.03Å; T87-M141 HydrophobicContact CG2-SD 4.37Å; L90-M141 HydrophobicContact CD1-CB 4.46Å; L90-M141 HydrophobicContact CD1-CE 4.25Å; L90-M141 HydrophobicContact CD1-SD 4.41Å; L90-M141 HydrophobicContact CD2-CB 4.27Å; L90-M141 HydrophobicContact CD2-CE 4.22Å; L90-M141 HydrophobicContact CG-CE 4.2Å; A95-M141 PolarHBondContact O-N 3.44Å; I96-M141 CarbonylContact C-O 3.58Å; I96-M141 WeakPolarHBondContact CA-O 3.43Å; I96-M141 HydrophobicContact CD1-SD 4.49Å; I96-M141 HydrophobicContact CG1-CB 4.34Å; I96-M141 HydrophobicContact CG1-SD 4.49Å; I96-M141 HydrophobicContact CG2-CB 4.47Å; I96-M141 HydrophobicContact CG2-CG 4.44Å; L97-M141 PolarHBondContact N-O 2.87Å; M141-W143 HydrophobicContact SD-CE3 3.83Å; M141-W143 HydrophobicContact SD-CZ3 4.19Å; M141-L171 CarbonylContact C-O 3.51Å; M141-L171 VanDerWaalsContact CA-O 3.31Å; M141-L171 WeakPolarHBondContact CA-O 3.5Å; M141-L171 HydrophobicContact CE-CD1 4.33Å; M141-V173 HydrophobicContact CE-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 4.01Å; M141-V173 HydrophobicContact SD-CG2 3.86Å; M141-M193 HydrophobicContact CE-CE 4.45Å |
| 142 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.8 | 163.8 | -48.4 | -177.6 | 0 | 0 | 0 | 108.1 | L97 F126 V131 L135 I144 V160 A164 L170 L171 T172 V173 | L97-I142 CarbonylContact O-C 3.57Å; L97-I142 WeakPolarHBondContact O-CA 3.36Å; F126-I142 HydrophobicContact CZ-CG2 4.23Å; V131-I142 HydrophobicContact CG2-CD1 4.13Å; V131-I142 HydrophobicContact CG2-CG2 4.47Å; L135-I142 HydrophobicContact CD2-CD1 3.95Å; L135-I142 HydrophobicContact CD2-CG1 4.2Å; I142-I144 HydrophobicContact CG2-CG1 4.18Å; I142-V160 HydrophobicContact CD1-CG1 4.05Å; I142-V160 HydrophobicContact CG2-CG1 3.95Å; I142-A164 HydrophobicContact CD1-CB 3.95Å; I142-L170 HydrophobicContact CD1-CD2 4.1Å; I142-L170 HydrophobicContact CG1-CD1 4.04Å; I142-L170 HydrophobicContact CG1-CD2 4.24Å; I142-L170 HydrophobicContact CG1-CG 4.29Å; I142-L171 PolarHBondContact N-O 3.11Å; I142-T172 HydrophobicContact CB-CG2 4.29Å; I142-T172 WeakPolarHBondContact O-CA 3.28Å; I142-V173 PolarHBondContact O-N 3.35Å |
| 143 | W | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.2 | 179.4 | -168.6 | -69.9 | 0 | 0 | 0 | 111 | I83 I86 T87 I96 L97 A98 M102 F110 M141 V173 V195 | I83-W143 HydrophobicContact CB-CH2 4Å; I83-W143 HydrophobicContact CB-CZ2 4.43Å; I83-W143 HydrophobicContact CD1-CZ2 4.12Å; I83-W143 HydrophobicContact CG1-CH2 3.62Å; I83-W143 HydrophobicContact CG1-CZ2 3.66Å; I83-W143 HydrophobicContact CG2-CH2 3.73Å; I83-W143 HydrophobicContact CG2-CZ2 4.16Å; I83-W143 HydrophobicContact CG2-CZ3 4.26Å; I86-W143 HydrophobicContact CB-CZ3 4.3Å; I86-W143 HydrophobicContact CD1-CH2 3.98Å; I86-W143 HydrophobicContact CD1-CZ3 4.24Å; I86-W143 HydrophobicContact CG2-CZ3 3.86Å; T87-W143 HydrophobicContact CG2-CZ3 4.36Å; I96-W143 HydrophobicContact CG2-CB 3.89Å; L97-W143 PolarHBondContact O-N 2.86Å; A98-W143 WeakPolarHBondContact CA-O 3.25Å; A98-W143 HydrophobicContact CB-CB 3.81Å; M102-W143 HydrophobicContact SD-CG 4.41Å; F110-W143 HydrophobicContact CE2-CB 4.26Å; F110-W143 HydrophobicContact CE2-CD2 4.16Å; F110-W143 AromaticContact CE2-CG 3.98Å; F110-W143 HydrophobicContact CE2-CG 3.98Å; F110-W143 HydrophobicContact CZ-CB 4.46Å; F110-W143 AromaticContact CZ-CD2 3.61Å; F110-W143 HydrophobicContact CZ-CD2 3.61Å; F110-W143 AromaticContact CZ-CE3 3.71Å; F110-W143 HydrophobicContact CZ-CE3 3.71Å; F110-W143 AromaticContact CZ-CG 3.93Å; F110-W143 HydrophobicContact CZ-CG 3.93Å; F110-W143 HydrophobicContact CZ-CZ3 4.22Å; M141-W143 HydrophobicContact SD-CE3 3.83Å; M141-W143 HydrophobicContact SD-CZ3 4.19Å; W143-V173 HydrophobicContact CD2-CB 4.11Å; W143-V173 HydrophobicContact CD2-CG1 4.14Å; W143-V173 HydrophobicContact CE3-CB 3.71Å; W143-V173 HydrophobicContact CE3-CG1 3.8Å; W143-V173 HydrophobicContact CE3-CG2 3.94Å; W143-V173 HydrophobicContact CH2-CG1 3.7Å; W143-V173 HydrophobicContact CZ2-CG1 4.05Å; W143-V173 HydrophobicContact CZ3-CB 3.96Å; W143-V173 HydrophobicContact CZ3-CG1 3.6Å; W143-V173 HydrophobicContact CZ3-CG2 4.02Å; W143-V195 HydrophobicContact CH2-CG1 4.02Å; W143-V195 HydrophobicContact CZ2-CG1 3.75Å |
| 144 | I | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.7 | -176.1 | -52.7 | 172.5 | 0 | 0 | 0 | 108.8 | L99 I142 V155 V160 V173 V174 D175 | L99-I144 HydrophobicContact CD1-CG2 4.32Å; I142-I144 HydrophobicContact CG2-CG1 4.18Å; I144-V155 HydrophobicContact CD1-CG1 4.31Å; I144-V155 HydrophobicContact CG2-CB 3.78Å; I144-V155 HydrophobicContact CG2-CG1 3.87Å; I144-V155 HydrophobicContact CG2-CG2 4.06Å; I144-V160 HydrophobicContact CD1-CB 3.83Å; I144-V160 HydrophobicContact CD1-CG1 3.47Å; I144-V160 VanDerWaalsContact CD1-CG1 3.47Å; I144-V160 HydrophobicContact CD1-CG2 4.31Å; I144-V160 HydrophobicContact CG1-CG1 4.35Å; I144-V173 PolarHBondContact N-O 3.47Å; I144-V174 HydrophobicContact CB-CG2 4.28Å; I144-V174 HydrophobicContact CD1-CG2 4.35Å; I144-V174 CarbonylContact O-C 3.5Å; I144-V174 WeakPolarHBondContact O-CA 3.35Å; I144-D175 PolarHBondContact O-N 3.01Å |
| 145 | E | 97.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.9 | 164.2 | -171.3 | 178.9 | 138.6 | 0 | 0 | 106.2 | L99 M102 Y103 T148 N149 D175 | L99-E145 WeakPolarHBondContact CD1-O 3.46Å; M102-E145 WeakPolarHBondContact CA-OE2 3.46Å; M102-E145 WeakPolarHBondContact CB-OE2 3.16Å; M102-E145 HydrophobicContact CG-CB 4.15Å; Y103-E145 PolarHBondContact N-OE2 3.11Å; E145-T148 WeakPolarHBondContact O-CG2 3.22Å; E145-N149 WeakPolarHBondContact OE1-CA 3.35Å; E145-N149 WeakPolarHBondContact OE1-CB 3.49Å; E145-N149 PolarHBondContact OE1-N 3.22Å; E145-D175 HydrophobicContact CB-CB 4.29Å; E145-D175 HydrophobicContact CG-CB 4.13Å |
| 146 | S | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -149.7 | 113.1 | -175.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | V155 Q184 | S146-V155 PolarHBondContact OG-N 3.26Å; S146-Q184 PolarHBondContact O-NE2 2.97Å |
| 147 | P | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -65.8 | 148.3 | -1 | -15.8 | 27.5 | 0 | 0 | 0 | 113.5 | L152 R153 I154 M179 P280 | P147-L152 HydrophobicContact CB-CB 4.06Å; P147-L152 HydrophobicContact CB-CD2 4.02Å; P147-R153 WeakPolarHBondContact CA-O 3.13Å; P147-I154 HydrophobicContact CB-CD1 3.7Å; P147-I154 HydrophobicContact CG-CD1 3.61Å; P147-M179 WeakPolarHBondContact CD-SD 3.18Å; P147-M179 HydrophobicContact CG-CG 4.33Å; P147-M179 HydrophobicContact CG-SD 3.69Å; P147-P280 HydrophobicContact CB-CG 4.38Å; P147-P280 HydrophobicContact CG-CG 4.21Å |
| 148 | T | 95.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 146.8 | 178.9 | 62.6 | 0 | 0 | 0 | 0 | 113 | L99 D101 E145 P150 L151 L152 R153 | L99-T148 HydrophobicContact CD1-CG2 3.71Å; D101-T148 WeakPolarHBondContact O-CB 3.44Å; D101-T148 VanDerWaalsContact O-CG2 3.24Å; D101-T148 WeakPolarHBondContact O-CG2 3.41Å; D101-T148 WeakPolarHBondContact OD1-CG2 3.4Å; D101-T148 WeakPolarHBondContact OD2-CB 3.34Å; D101-T148 WeakPolarHBondContact OD2-CG2 3.44Å; D101-T148 PolarHBondContact OD2-OG1 3.43Å; E145-T148 WeakPolarHBondContact O-CG2 3.22Å; T148-P150 CarbonylContact O-C 3.48Å; T148-L151 PolarHBondContact O-N 3.22Å; T148-L152 VanDerWaalsContact O-CA 3.24Å; T148-L152 WeakPolarHBondContact O-CA 3.37Å; T148-L152 PolarHBondContact O-N 3.1Å; T148-L152 PolarHBondContact OG1-N 3.44Å; T148-R153 HydrophobicContact CG2-CB 4.12Å; T148-R153 PolarHBondContact N-O 3.37Å; T148-R153 WeakPolarHBondContact OG1-CB 3.48Å; T148-R153 PolarHBondContact OG1-N 3.11Å |
| 149 | N | 91.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.043 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 121.3 | 168 | 178.6 | 7 | 0 | 0 | 0 | 110.7 | M102 E145 F178 H361 R380 | M102-N149 CarbonylContact C-O 3.48Å; E145-N149 WeakPolarHBondContact OE1-CA 3.35Å; E145-N149 WeakPolarHBondContact OE1-CB 3.49Å; E145-N149 PolarHBondContact OE1-N 3.22Å; N149-F178 HydrophobicContact CB-CE1 4.28Å; N149-F178 HydrophobicContact CB-CE2 3.9Å; N149-F178 HydrophobicContact CB-CZ 3.6Å; N149-H361 PolarHBondContact O-NE2 3.1Å; N149-H361 PolarHBondContact OD1-CE1 2.96Å; N149-R380 PolarHBondContact ND2-NH1 2.68Å; N149-R380 PolarHBondContact OD1-NH1 3.38Å |
| 150 | P | 90.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -105.1 | -1.4 | 7.3 | 41.9 | -37.7 | 0 | 0 | 0 | 114 | T148 L152 S303 I332 H361 I374 L378 | T148-P150 CarbonylContact O-C 3.48Å; P150-L152 VanDerWaalsContact C-N 3.3Å; P150-L152 PolarHBondContact O-N 3.41Å; P150-S303 WeakPolarHBondContact O-CB 3.4Å; P150-S303 PolarHBondContact O-OG 3.22Å; P150-I332 HydrophobicContact CB-CD1 4.08Å; P150-I332 HydrophobicContact CG-CD1 3.55Å; P150-H361 VanDerWaalsContact CD-CE1 3.49Å; P150-H361 WeakPolarHBondContact CD-CE1 3.45Å; P150-I374 HydrophobicContact CG-CD1 4.15Å; P150-I374 HydrophobicContact CG-CG1 4.26Å; P150-L378 HydrophobicContact CG-CD2 3.88Å |
| 151 | L | 93.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 5% | 0.052 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.4 | -165.5 | -63.9 | 169.8 | 0 | 0 | 0 | 113.6 | D101 T148 R153 I278 L372 I374 L378 | D101-L151 HydrophobicContact CB-CD1 4.12Å; T148-L151 PolarHBondContact O-N 3.22Å; L151-R153 HydrophobicContact CB-CG 3.92Å; L151-R153 PolarHBondContact O-N 2.83Å; L151-I278 HydrophobicContact CD2-CD1 4.22Å; L151-I278 VanDerWaalsContact O-CG2 3.27Å; L151-I278 WeakPolarHBondContact O-CG2 3.36Å; L151-L372 HydrophobicContact CD1-CB 4.13Å; L151-L372 WeakPolarHBondContact CD1-O 3.42Å; L151-I374 HydrophobicContact CD1-CD1 4.44Å; L151-I374 HydrophobicContact CD1-CG1 3.98Å; L151-I374 HydrophobicContact CD2-CG1 4.2Å; L151-I374 HydrophobicContact CG-CG1 4.15Å; L151-L378 HydrophobicContact CD2-CD2 3.79Å |
| 152 | L | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | 50.5 | 28.8 | 176.2 | -51.4 | 177.6 | 0 | 0 | 0 | 113.6 | P147 T148 P150 I154 F178 I278 P280 H285 M301 | P147-L152 HydrophobicContact CB-CB 4.06Å; P147-L152 HydrophobicContact CB-CD2 4.02Å; T148-L152 VanDerWaalsContact O-CA 3.24Å; T148-L152 WeakPolarHBondContact O-CA 3.37Å; T148-L152 PolarHBondContact O-N 3.1Å; T148-L152 PolarHBondContact OG1-N 3.44Å; P150-L152 VanDerWaalsContact C-N 3.3Å; P150-L152 PolarHBondContact O-N 3.41Å; L152-I154 WeakPolarHBondContact O-CD1 2.96Å; L152-F178 HydrophobicContact CD2-CD2 3.57Å; L152-F178 HydrophobicContact CD2-CE2 3.51Å; L152-I278 HydrophobicContact CB-CG2 3.99Å; L152-I278 HydrophobicContact CD1-CG2 4.49Å; L152-I278 WeakPolarHBondContact CD1-O 3.39Å; L152-P280 HydrophobicContact CB-CG 3.92Å; L152-H285 PolarHBondContact O-CE1 3.35Å; L152-H285 PolarHBondContact O-NE2 2.9Å; L152-M301 VanDerWaalsContact CD1-O 3.27Å; L152-M301 WeakPolarHBondContact CD1-O 3.09Å; L152-M301 HydrophobicContact CD2-CB 3.99Å | ||
| 153 | R | 96.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 19.8 Ų | 19.8 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | trans | -67.6 | 141.4 | 177 | -56.4 | -163.4 | -58.8 | 159.1 | 7.6 | 108.6 | D101 D125 V127 P147 T148 L151 | D101-R153 VanDerWaalsContact CG-NH2 3.25Å; D101-R153 IonicContact OD1-CZ 3.97Å; D101-R153 IonicContact OD1-NE 3.63Å; D101-R153 PolarHBondContact OD1-NE 3.18Å; D101-R153 IonicContact OD1-NH2 3.52Å; D101-R153 PolarHBondContact OD1-NH2 2.92Å; D101-R153 IonicContact OD2-CZ 3.88Å; D101-R153 IonicContact OD2-NE 3.32Å; D101-R153 PolarHBondContact OD2-NE 3.14Å; D101-R153 IonicContact OD2-NH2 3.47Å; D125-R153 VanDerWaalsContact CG-NH1 3.25Å; D125-R153 IonicContact OD1-CZ 2.63Å; D125-R153 VanDerWaalsContact OD1-CZ 3.25Å; D125-R153 IonicContact OD1-NH1 2.84Å; D125-R153 PolarHBondContact OD1-NH1 2.97Å; D125-R153 IonicContact OD1-NH2 3.41Å; D125-R153 PolarHBondContact OD1-NH2 3.25Å; D125-R153 IonicContact OD2-NH1 3.07Å; D125-R153 PolarHBondContact OD2-NH1 3.05Å; V127-R153 HydrophobicContact CG1-CB 4.45Å; V127-R153 HydrophobicContact CG2-CB 4.24Å; P147-R153 WeakPolarHBondContact CA-O 3.13Å; T148-R153 HydrophobicContact CG2-CB 4.12Å; T148-R153 PolarHBondContact N-O 3.37Å; T148-R153 WeakPolarHBondContact OG1-CB 3.48Å; T148-R153 PolarHBondContact OG1-N 3.11Å; L151-R153 HydrophobicContact CB-CG 3.92Å; L151-R153 PolarHBondContact O-N 2.83Å | ||
| 154 | I | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -106.9 | 128.7 | -174.7 | -51.1 | -62.3 | 0 | 0 | 0 | 109.2 | P147 L152 P280 Q287 L290 H291 | P147-I154 HydrophobicContact CB-CD1 3.7Å; P147-I154 HydrophobicContact CG-CD1 3.61Å; L152-I154 WeakPolarHBondContact O-CD1 2.96Å; I154-P280 HydrophobicContact CD1-CB 3.94Å; I154-P280 HydrophobicContact CD1-CG 3.81Å; I154-P280 HydrophobicContact CG1-CB 4.37Å; I154-P280 HydrophobicContact CG1-CG 4.47Å; I154-Q287 HydrophobicContact CB-CB 3.66Å; I154-Q287 HydrophobicContact CB-CG 4.25Å; I154-Q287 HydrophobicContact CG1-CB 3.91Å; I154-L290 HydrophobicContact CB-CD2 4.38Å; I154-L290 HydrophobicContact CG2-CB 4.46Å; I154-L290 HydrophobicContact CG2-CD2 3.83Å; I154-L290 HydrophobicContact CG2-CG 3.85Å; I154-H291 HydrophobicContact CD1-CB 4.42Å; I154-H291 HydrophobicContact CG1-CB 4.2Å | ||
| 155 | V | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | trans | -101.1 | 139 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | L99 F126 V127 I144 S146 I157 V160 Q294 | L99-V155 HydrophobicContact CD1-CG2 3.52Å; L99-V155 HydrophobicContact CD2-CG2 3.94Å; L99-V155 HydrophobicContact CG-CG2 4.26Å; F126-V155 HydrophobicContact CE2-CG1 4.14Å; F126-V155 HydrophobicContact CE2-CG2 4.49Å; V127-V155 HydrophobicContact CG2-CG2 4.05Å; I144-V155 HydrophobicContact CD1-CG1 4.31Å; I144-V155 HydrophobicContact CG2-CB 3.78Å; I144-V155 HydrophobicContact CG2-CG1 3.87Å; I144-V155 HydrophobicContact CG2-CG2 4.06Å; S146-V155 PolarHBondContact OG-N 3.26Å; V155-I157 PolarHBondContact O-N 3.05Å; V155-V160 HydrophobicContact CG1-CG2 3.71Å; V155-Q294 PolarHBondContact O-NE2 3.12Å; V155-Q294 PolarHBondContact O-OE1 3.17Å | ||
| 156 | D | 97.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | trans | -73.9 | 95.4 | 170.9 | -169.9 | -36.5 | 0 | 0 | 0 | 108 | K158 E159 V160 L290 | D156-K158 PolarHBondContact O-N 2.85Å; D156-K158 PolarHBondContact OD1-N 2.8Å; D156-K158 VanDerWaalsContact OD1-N 3.13Å; D156-E159 HydrophobicContact CB-CB 3.85Å; D156-E159 PolarHBondContact O-N 3.06Å; D156-E159 PolarHBondContact OD1-N 2.83Å; D156-V160 WeakPolarHBondContact O-CG2 3.27Å; D156-V160 PolarHBondContact O-N 3.01Å; D156-V160 VanDerWaalsContact O-N 3.08Å; D156-L290 HydrophobicContact CB-CD1 3.74Å; D156-L290 HydrophobicContact CB-CD2 3.92Å; D156-L290 HydrophobicContact CB-CG 4.46Å; D156-L290 WeakPolarHBondContact OD2-CD1 3.23Å | ||
| 157 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | -175.4 | -66.2 | 164.1 | 0 | 0 | 0 | 109.8 | V155 C161 V174 Q184 L189 | V155-I157 PolarHBondContact O-N 3.05Å; I157-C161 VanDerWaalsContact O-CB 3.27Å; I157-C161 WeakPolarHBondContact O-CB 3.47Å; I157-C161 PolarHBondContact O-N 2.79Å; I157-C161 PolarHBondContact O-SG 3.02Å; I157-V174 HydrophobicContact CD1-CG1 3.96Å; I157-V174 HydrophobicContact CG1-CG2 4.4Å; I157-V174 HydrophobicContact CG2-CG2 3.9Å; I157-Q184 HydrophobicContact CD1-CG 4.45Å; I157-L189 HydrophobicContact CB-CB 4.14Å; I157-L189 HydrophobicContact CB-CD1 3.92Å; I157-L189 HydrophobicContact CD1-CD1 3.91Å; I157-L189 HydrophobicContact CG2-CB 3.63Å; I157-L189 HydrophobicContact CG2-CD1 4.12Å |
| 158 | K | 97.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 45.3 Ų | 45.3 | 60% | 0.596 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.4 | -44.2 | -177.6 | -175.6 | 178.1 | 179.9 | 177.3 | 0 | 111 | D156 A162 L189 | D156-K158 PolarHBondContact O-N 2.85Å; D156-K158 PolarHBondContact OD1-N 2.8Å; D156-K158 VanDerWaalsContact OD1-N 3.13Å; K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 3.02Å; K158-L189 WeakPolarHBondContact CA-O 3.28Å |
| 159 | E | 97.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 48.2 Ų | 48.2 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -51 | 176.6 | -175.1 | 177.6 | -174.9 | 0 | 0 | 111.5 | D156 C161 A162 I163 | D156-E159 HydrophobicContact CB-CB 3.85Å; D156-E159 PolarHBondContact O-N 3.06Å; D156-E159 PolarHBondContact OD1-N 2.83Å; E159-C161 VanDerWaalsContact C-N 3.33Å; E159-C161 PolarHBondContact O-N 3.03Å; E159-A162 PolarHBondContact O-N 3.25Å; E159-I163 HydrophobicContact CG-CD1 4.02Å; E159-I163 WeakPolarHBondContact O-CG1 3.27Å; E159-I163 PolarHBondContact O-N 3.3Å |
| 160 | V | 97.7 | Very high | 96 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | F126 V131 I142 I144 V155 D156 I163 A164 | F126-V160 HydrophobicContact CD2-CG2 4.43Å; F126-V160 HydrophobicContact CE2-CG2 4.34Å; V131-V160 HydrophobicContact CB-CG2 4.34Å; V131-V160 HydrophobicContact CG1-CB 4.48Å; V131-V160 HydrophobicContact CG1-CG1 4.18Å; V131-V160 HydrophobicContact CG1-CG2 4.32Å; V131-V160 HydrophobicContact CG2-CG1 4.37Å; I142-V160 HydrophobicContact CD1-CG1 4.05Å; I142-V160 HydrophobicContact CG2-CG1 3.95Å; I144-V160 HydrophobicContact CD1-CB 3.83Å; I144-V160 HydrophobicContact CD1-CG1 3.47Å; I144-V160 VanDerWaalsContact CD1-CG1 3.47Å; I144-V160 HydrophobicContact CD1-CG2 4.31Å; I144-V160 HydrophobicContact CG1-CG1 4.35Å; V155-V160 HydrophobicContact CG1-CG2 3.71Å; D156-V160 WeakPolarHBondContact O-CG2 3.27Å; D156-V160 PolarHBondContact O-N 3.01Å; D156-V160 VanDerWaalsContact O-N 3.08Å; V160-I163 PolarHBondContact O-N 3.34Å; V160-A164 WeakPolarHBondContact O-CB 3.38Å; V160-A164 PolarHBondContact O-N 2.75Å |
| 161 | C | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 178 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | I157 E159 A164 K165 A191 | I157-C161 VanDerWaalsContact O-CB 3.27Å; I157-C161 WeakPolarHBondContact O-CB 3.47Å; I157-C161 PolarHBondContact O-N 2.79Å; I157-C161 PolarHBondContact O-SG 3.02Å; E159-C161 VanDerWaalsContact C-N 3.33Å; E159-C161 PolarHBondContact O-N 3.03Å; C161-A164 PolarHBondContact O-N 2.93Å; C161-K165 WeakPolarHBondContact O-CB 3.42Å; C161-K165 VanDerWaalsContact O-CG 3.25Å; C161-K165 WeakPolarHBondContact O-CG 3.34Å; C161-K165 PolarHBondContact O-N 2.95Å; C161-A191 VanDerWaalsContact SG-CA 3.56Å; C161-A191 PolarHBondContact SG-N 3.35Å |
| 162 | A | 97.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K158 E159 | K158-A162 VanDerWaalsContact O-CB 3.26Å; K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 3.02Å; E159-A162 PolarHBondContact O-N 3.25Å |
| 163 | I | 96.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 174.7 | -68.2 | 162.7 | 0 | 0 | 0 | 110.4 | N130 V131 E132 L135 E159 V160 K165 K166 | N130-I163 WeakPolarHBondContact OD1-CD1 3.26Å; V131-I163 HydrophobicContact CG1-CB 3.85Å; V131-I163 HydrophobicContact CG1-CD1 3.74Å; V131-I163 HydrophobicContact CG1-CG1 4.4Å; V131-I163 HydrophobicContact CG1-CG2 3.6Å; E132-I163 HydrophobicContact CB-CG2 3.87Å; E132-I163 HydrophobicContact CG-CG2 4.36Å; L135-I163 HydrophobicContact CD1-CG2 4.29Å; E159-I163 HydrophobicContact CG-CD1 4.02Å; E159-I163 WeakPolarHBondContact O-CG1 3.27Å; E159-I163 PolarHBondContact O-N 3.3Å; V160-I163 PolarHBondContact O-N 3.34Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.29Å; I163-K166 VanDerWaalsContact O-CB 3.3Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 WeakPolarHBondContact O-CG 3.35Å; I163-K166 PolarHBondContact O-N 3Å |
| 164 | A | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I142 V160 C161 K166 T167 L170 T172 | I142-A164 HydrophobicContact CD1-CB 3.95Å; V160-A164 WeakPolarHBondContact O-CB 3.38Å; V160-A164 PolarHBondContact O-N 2.75Å; C161-A164 PolarHBondContact O-N 2.93Å; A164-K166 PolarHBondContact O-N 2.87Å; A164-K166 VanDerWaalsContact O-N 3.14Å; A164-T167 PolarHBondContact O-N 3.22Å; A164-L170 HydrophobicContact CB-CD2 4.11Å; A164-L170 HydrophobicContact CB-CG 4.13Å; A164-T172 HydrophobicContact CB-CG2 3.35Å |
| 165 | K | 95.9 | Very high | 96.8 | Very high | 151 Ų | 151 | 48 Ų | 48 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.5 | 177.3 | -77.3 | 172.9 | -178.2 | -179.3 | 0 | 114.6 | C161 I163 G190 | C161-K165 WeakPolarHBondContact O-CB 3.42Å; C161-K165 VanDerWaalsContact O-CG 3.25Å; C161-K165 WeakPolarHBondContact O-CG 3.34Å; C161-K165 PolarHBondContact O-N 2.95Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.29Å; K165-G190 WeakPolarHBondContact CE-O 3.21Å |
| 166 | K | 95.4 | Very high | 96.9 | Very high | 142 Ų | 142 | 47.9 Ų | 47.9 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.8 | 172.8 | -58.1 | 177.5 | -173.3 | 172 | 0 | 112.5 | E132 I163 A164 | E132-K166 IonicContact OE2-NZ 3.41Å; E132-K166 PolarHBondContact OE2-NZ 3.48Å; I163-K166 VanDerWaalsContact O-CB 3.3Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 WeakPolarHBondContact O-CG 3.35Å; I163-K166 PolarHBondContact O-N 3Å; A164-K166 PolarHBondContact O-N 2.87Å; A164-K166 VanDerWaalsContact O-N 3.14Å |
| 167 | T | 92.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -107.5 | 117.7 | -177.9 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | A164 G169 L170 | A164-T167 PolarHBondContact O-N 3.22Å; T167-G169 PolarHBondContact O-N 2.88Å; T167-L170 HydrophobicContact CG2-CB 4.05Å; T167-L170 HydrophobicContact CG2-CD2 4.27Å; T167-L170 WeakPolarHBondContact O-CB 3.43Å; T167-L170 PolarHBondContact O-N 2.83Å |
| 168 | E | 91.5 | Very high | 96.9 | Very high | 191 Ų | 191 | 47.9 Ų | 47.9 | 89% | 0.893 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.1 | -178.8 | -170.5 | 177.3 | -178.7 | 0 | 0 | 111.9 | L170 | E168-L170 PolarHBondContact O-N 2.79Š|
| 169 | G | 92.6 | Very high | 96.9 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 62% | 0.619 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T167 L171 | T167-G169 PolarHBondContact O-N 2.88Å; G169-L171 PolarHBondContact O-N 2.88Å |
| 170 | L | 97.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | trans | -75.1 | 113.4 | 177.6 | -179.5 | 51.8 | 0 | 0 | 0 | 111 | L135 V139 K140 I142 A164 T167 E168 | L135-L170 HydrophobicContact CD1-CD2 4.04Å; L135-L170 HydrophobicContact CD2-CD2 3.97Å; V139-L170 HydrophobicContact CG1-CD1 3.9Å; K140-L170 VanDerWaalsContact C-CD1 3.42Å; I142-L170 HydrophobicContact CD1-CD2 4.1Å; I142-L170 HydrophobicContact CG1-CD1 4.04Å; I142-L170 HydrophobicContact CG1-CD2 4.24Å; I142-L170 HydrophobicContact CG1-CG 4.29Å; A164-L170 HydrophobicContact CB-CD2 4.11Å; A164-L170 HydrophobicContact CB-CG 4.13Å; T167-L170 HydrophobicContact CG2-CB 4.05Å; T167-L170 HydrophobicContact CG2-CD2 4.27Å; T167-L170 WeakPolarHBondContact O-CB 3.43Å; T167-L170 PolarHBondContact O-N 2.83Å; E168-L170 PolarHBondContact O-N 2.79Å | ||
| 171 | L | 98.4 | Very high | 97 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 145.8 | -179.8 | -62.5 | 174 | 0 | 0 | 0 | 111.6 | I89 K140 M141 I142 G169 M193 I220 | I89-L171 HydrophobicContact CD1-CD1 4.21Å; I89-L171 HydrophobicContact CG2-CD1 4.03Å; K140-L171 PolarHBondContact O-N 2.74Å; M141-L171 CarbonylContact C-O 3.51Å; M141-L171 VanDerWaalsContact CA-O 3.31Å; M141-L171 WeakPolarHBondContact CA-O 3.5Å; M141-L171 HydrophobicContact CE-CD1 4.33Å; I142-L171 PolarHBondContact N-O 3.11Å; G169-L171 PolarHBondContact O-N 2.88Å; L171-M193 HydrophobicContact CB-CE 4.18Å; L171-M193 HydrophobicContact CD1-CE 4Å; L171-M193 HydrophobicContact CG-CE 4.48Å; L171-I220 HydrophobicContact CD2-CD1 4.01Å |
| 172 | T | 98.7 | Very high | 97 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.2 | 171.6 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | I142 A164 A191 S192 M193 | I142-T172 HydrophobicContact CB-CG2 4.29Å; I142-T172 WeakPolarHBondContact O-CA 3.28Å; A164-T172 HydrophobicContact CB-CG2 3.35Å; T172-A191 WeakPolarHBondContact OG1-CA 3.46Å; T172-S192 PolarHBondContact N-OG 2.86Å; T172-S192 VanDerWaalsContact O-CB 3.32Å; T172-S192 WeakPolarHBondContact O-CB 3.31Å; T172-S192 PolarHBondContact O-N 3.47Å; T172-S192 PolarHBondContact OG1-N 3.06Å; T172-S192 PolarHBondContact OG1-OG 3.22Å; T172-M193 PolarHBondContact O-N 3.22Å |
| 173 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.7 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | I86 M141 I142 W143 I144 M193 V195 | I86-V173 HydrophobicContact CD1-CG1 3.99Å; I86-V173 HydrophobicContact CG2-CG2 3.79Å; M141-V173 HydrophobicContact CE-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 4.01Å; M141-V173 HydrophobicContact SD-CG2 3.86Å; I142-V173 PolarHBondContact O-N 3.35Å; W143-V173 HydrophobicContact CD2-CB 4.11Å; W143-V173 HydrophobicContact CD2-CG1 4.14Å; W143-V173 HydrophobicContact CE3-CB 3.71Å; W143-V173 HydrophobicContact CE3-CG1 3.8Å; W143-V173 HydrophobicContact CE3-CG2 3.94Å; W143-V173 HydrophobicContact CH2-CG1 3.7Å; W143-V173 HydrophobicContact CZ2-CG1 4.05Å; W143-V173 HydrophobicContact CZ3-CB 3.96Å; W143-V173 HydrophobicContact CZ3-CG1 3.6Å; W143-V173 HydrophobicContact CZ3-CG2 4.02Å; I144-V173 PolarHBondContact N-O 3.47Å; V173-M193 WeakPolarHBondContact CA-O 3.37Å; V173-M193 HydrophobicContact CG1-CB 4.42Å; V173-M193 HydrophobicContact CG2-CB 4.32Å; V173-M193 HydrophobicContact CG2-CE 3.66Å; V173-M193 HydrophobicContact CG2-SD 4.45Å; V173-V195 HydrophobicContact CG1-CB 4.48Å; V173-V195 HydrophobicContact CG1-CG1 3.89Å |
| 174 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.3 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | I144 I157 N176 P186 A191 M193 T194 V195 | I144-V174 HydrophobicContact CB-CG2 4.28Å; I144-V174 HydrophobicContact CD1-CG2 4.35Å; I144-V174 CarbonylContact O-C 3.5Å; I144-V174 WeakPolarHBondContact O-CA 3.35Å; I157-V174 HydrophobicContact CD1-CG1 3.96Å; I157-V174 HydrophobicContact CG1-CG2 4.4Å; I157-V174 HydrophobicContact CG2-CG2 3.9Å; V174-N176 PolarHBondContact O-N 3.29Å; V174-P186 HydrophobicContact CB-CB 3.56Å; V174-P186 HydrophobicContact CB-CG 3.84Å; V174-P186 HydrophobicContact CG1-CB 3.82Å; V174-P186 HydrophobicContact CG1-CG 3.63Å; V174-P186 HydrophobicContact CG2-CB 3.8Å; V174-A191 HydrophobicContact CG2-CB 3.85Å; V174-M193 PolarHBondContact N-O 2.84Å; V174-T194 VanDerWaalsContact O-CA 3.29Å; V174-T194 WeakPolarHBondContact O-CA 3.33Å; V174-T194 PolarHBondContact O-OG1 3.46Å; V174-T194 VanDerWaalsContact O-OG1 3.09Å; V174-V195 PolarHBondContact O-N 3.25Å |
| 175 | D | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.4 | 164.1 | -168.6 | -30.8 | 0 | 0 | 0 | 108.8 | I144 E145 T177 V195 | I144-D175 PolarHBondContact O-N 3.01Å; E145-D175 HydrophobicContact CB-CB 4.29Å; E145-D175 HydrophobicContact CG-CB 4.13Å; D175-T177 WeakPolarHBondContact OD1-CB 3.48Å; D175-T177 PolarHBondContact OD1-N 3.28Å; D175-T177 VanDerWaalsContact OD1-N 3.07Å; D175-T177 PolarHBondContact OD1-OG1 3.39Å; D175-V195 WeakPolarHBondContact CA-O 3.48Å; D175-V195 HydrophobicContact CB-CG1 3.82Å |
| 176 | N | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -105.8 | 14.9 | -172 | -164.8 | 42.6 | 0 | 0 | 0 | 111.8 | E68 V174 F178 M179 S180 Q184 P186 T194 V195 H196 | E68-N176 PolarHBondContact OE1-ND2 3.27Å; V174-N176 PolarHBondContact O-N 3.29Å; N176-F178 VanDerWaalsContact C-N 3.27Å; N176-F178 PolarHBondContact O-N 3.2Å; N176-M179 PolarHBondContact O-N 3.24Å; N176-M179 VanDerWaalsContact O-N 3.12Å; N176-S180 PolarHBondContact ND2-O 2.87Å; N176-S180 PolarHBondContact O-N 2.98Å; N176-Q184 PolarHBondContact ND2-O 3.48Å; N176-Q184 WeakPolarHBondContact OD1-CB 3.36Å; N176-Q184 PolarHBondContact OD1-NE2 2.9Å; N176-P186 HydrophobicContact CB-CG 3.82Å; N176-P186 WeakPolarHBondContact ND2-CD 3.44Å; N176-T194 WeakPolarHBondContact CB-OG1 3.33Å; N176-V195 PolarHBondContact N-O 3.06Å; N176-H196 VanDerWaalsContact CB-CE1 3.45Å; N176-H196 WeakPolarHBondContact CB-CE1 3.38Å; N176-H196 PolarHBondContact ND2-CE1 3.41Å; N176-H196 PolarHBondContact O-CE1 3.26Å; N176-H196 PolarHBondContact O-ND1 2.81Å | ||
| 177 | T | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -40.3 | -175.1 | -63.6 | 0 | 0 | 0 | 0 | 113 | D175 S197 K200 | D175-T177 WeakPolarHBondContact OD1-CB 3.48Å; D175-T177 PolarHBondContact OD1-N 3.28Å; D175-T177 VanDerWaalsContact OD1-N 3.07Å; D175-T177 PolarHBondContact OD1-OG1 3.39Å; T177-S197 PolarHBondContact OG1-N 3.46Å; T177-K200 HydrophobicContact CG2-CB 3.77Å; T177-K200 HydrophobicContact CG2-CG 3.47Å; T177-K200 VanDerWaalsContact CG2-CG 3.47Å |
| 178 | F | 97.5 | Very high | 97.7 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.9 | -176.5 | -90.4 | 20.1 | 0 | 0 | 0 | 114 | N149 L152 N176 Y201 S299 M301 | N149-F178 HydrophobicContact CB-CE1 4.28Å; N149-F178 HydrophobicContact CB-CE2 3.9Å; N149-F178 HydrophobicContact CB-CZ 3.6Å; L152-F178 HydrophobicContact CD2-CD2 3.57Å; L152-F178 HydrophobicContact CD2-CE2 3.51Å; N176-F178 VanDerWaalsContact C-N 3.27Å; N176-F178 PolarHBondContact O-N 3.2Å; F178-Y201 WeakPolarHBondContact O-CE2 3.25Å; F178-S299 WeakPolarHBondContact O-CB 3.45Å; F178-S299 PolarHBondContact O-OG 3.39Å; F178-M301 HydrophobicContact CD1-CG 4.21Å; F178-M301 HydrophobicContact CD2-CB 4.25Å; F178-M301 HydrophobicContact CD2-CG 3.93Å; F178-M301 HydrophobicContact CE1-CE 4.18Å; F178-M301 HydrophobicContact CE1-CG 4.35Å; F178-M301 HydrophobicContact CE1-SD 4.37Å; F178-M301 HydrophobicContact CE2-CB 4.34Å; F178-M301 HydrophobicContact CE2-CE 4.14Å; F178-M301 HydrophobicContact CE2-CG 4.09Å; F178-M301 HydrophobicContact CG-CG 3.99Å; F178-M301 HydrophobicContact CZ-CE 3.74Å; F178-M301 HydrophobicContact CZ-CG 4.29Å; F178-M301 HydrophobicContact CZ-SD 4.42Å |
| 179 | M | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -28.8 | -179.5 | -62.9 | -54.1 | -59 | 0 | 0 | 112.8 | P147 N176 F183 Q184 T295 G297 | P147-M179 WeakPolarHBondContact CD-SD 3.18Å; P147-M179 HydrophobicContact CG-CG 4.33Å; P147-M179 HydrophobicContact CG-SD 3.69Å; N176-M179 PolarHBondContact O-N 3.24Å; N176-M179 VanDerWaalsContact O-N 3.12Å; M179-F183 HydrophobicContact CB-CB 4.32Å; M179-F183 HydrophobicContact CE-CB 3.37Å; M179-F183 HydrophobicContact CE-CD2 4.3Å; M179-F183 HydrophobicContact CE-CG 4.16Å; M179-Q184 HydrophobicContact CB-CB 3.63Å; M179-Q184 HydrophobicContact CG-CB 3.98Å; M179-T295 HydrophobicContact CE-CG2 3.85Å; M179-G297 WeakPolarHBondContact CE-O 3.35Å |
| 180 | S | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | 61.6 | 166 | -165.1 | 88.3 | 0 | 0 | 0 | 0 | 112.2 | N176 Y182 F183 Q184 | N176-S180 PolarHBondContact ND2-O 2.87Å; N176-S180 PolarHBondContact O-N 2.98Å; S180-Y182 PolarHBondContact O-N 3.46Å; S180-Y182 WeakPolarHBondContact OG-CB 3.49Å; S180-Y182 PolarHBondContact OG-N 3.08Å; S180-F183 PolarHBondContact O-N 3.41Å; S180-Q184 PolarHBondContact O-N 2.96Å |
| 181 | P | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.7 | -13.4 | 175.1 | 23.9 | -34.3 | 0 | 0 | 0 | 113.8 | F4 F7 L67 E68 L250 | F4-P181 WeakPolarHBondContact CE2-O 3.13Å; F7-P181 HydrophobicContact CE2-CB 4.05Å; F7-P181 HydrophobicContact CE2-CG 4.35Å; F7-P181 WeakPolarHBondContact CE2-O 3.19Å; F7-P181 HydrophobicContact CZ-CB 4.4Å; F7-P181 HydrophobicContact CZ-CG 4.21Å; L67-P181 HydrophobicContact CB-CB 4.01Å; L67-P181 HydrophobicContact CB-CG 3.95Å; E68-P181 HydrophobicContact CG-CB 3.93Å; P181-L250 HydrophobicContact CG-CD2 4.25Å |
| 182 | Y | 98.4 | Very high | 98.3 | Very high | 20 Ų | 20 | 13.3 Ų | 13.3 | 8% | 0.078 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.1 | -41.4 | 179.7 | -172.7 | -114.6 | 0 | 0 | 0 | 112.5 | F4 F7 S180 H251 M254 R255 T296 | F4-Y182 WeakPolarHBondContact CD2-O 3.41Å; F4-Y182 WeakPolarHBondContact CE2-O 3.16Å; F7-Y182 AromaticContact CD1-CD2 3.48Å; F7-Y182 HydrophobicContact CD1-CD2 3.48Å; F7-Y182 VanDerWaalsContact CD1-CD2 3.48Å; F7-Y182 HydrophobicContact CD1-CE2 4.01Å; F7-Y182 HydrophobicContact CD2-CD2 4.25Å; F7-Y182 AromaticContact CE1-CD2 3.51Å; F7-Y182 HydrophobicContact CE1-CD2 3.51Å; F7-Y182 HydrophobicContact CE1-CE2 4.4Å; F7-Y182 HydrophobicContact CE1-CG 4.25Å; F7-Y182 HydrophobicContact CE2-CD2 4.28Å; F7-Y182 AromaticContact CG-CD2 3.88Å; F7-Y182 HydrophobicContact CG-CD2 3.88Å; F7-Y182 HydrophobicContact CG-CE2 4.38Å; F7-Y182 AromaticContact CZ-CD2 3.92Å; F7-Y182 HydrophobicContact CZ-CD2 3.92Å; F7-Y182 HydrophobicContact CZ-CG 4.35Å; S180-Y182 PolarHBondContact O-N 3.46Å; S180-Y182 WeakPolarHBondContact OG-CB 3.49Å; S180-Y182 PolarHBondContact OG-N 3.08Å; Y182-H251 HydrophobicContact CD2-CB 4.08Å; Y182-H251 HydrophobicContact CE2-CB 3.67Å; Y182-M254 HydrophobicContact CD1-CB 3.41Å; Y182-M254 VanDerWaalsContact CD1-CB 3.41Å; Y182-M254 HydrophobicContact CD1-CG 4.09Å; Y182-M254 HydrophobicContact CE1-CB 3.97Å; Y182-M254 HydrophobicContact CG-CB 4.11Å; Y182-M254 HydrophobicContact CG-CG 4.36Å; Y182-R255 HydrophobicContact CE1-CG 4.11Å; Y182-T296 PolarHBondContact O-OG1 3.49Å |
| 183 | F | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -101.8 | -22.1 | -174.7 | -67.9 | -48.3 | 0 | 0 | 0 | 114.6 | M179 S180 M254 E258 T295 T296 G297 T298 | M179-F183 HydrophobicContact CB-CB 4.32Å; M179-F183 HydrophobicContact CE-CB 3.37Å; M179-F183 HydrophobicContact CE-CD2 4.3Å; M179-F183 HydrophobicContact CE-CG 4.16Å; S180-F183 PolarHBondContact O-N 3.41Å; F183-M254 HydrophobicContact CD2-CB 4.45Å; F183-M254 HydrophobicContact CD2-CE 3.6Å; F183-M254 HydrophobicContact CE2-CB 3.73Å; F183-M254 HydrophobicContact CE2-CE 3.51Å; F183-M254 HydrophobicContact CE2-CG 4.45Å; F183-M254 HydrophobicContact CZ-CB 3.92Å; F183-M254 WeakPolarHBondContact CZ-O 3.32Å; F183-E258 HydrophobicContact CE2-CB 4.44Å; F183-E258 HydrophobicContact CZ-CB 3.88Å; F183-E258 HydrophobicContact CZ-CG 4.47Å; F183-T295 CarbonylContact O-C 3.58Å; F183-T295 WeakPolarHBondContact O-CA 3.39Å; F183-T295 VanDerWaalsContact O-CB 3.32Å; F183-T295 WeakPolarHBondContact O-CB 3.28Å; F183-T296 WeakPolarHBondContact CA-OG1 3.12Å; F183-T296 PolarHBondContact O-N 3.3Å; F183-G297 VanDerWaalsContact CD1-CA 3.47Å; F183-T298 WeakPolarHBondContact CE2-O 3.24Å |
| 184 | Q | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -148.1 | 134.9 | -177.2 | -170.6 | 174.1 | -69.5 | 0 | 0 | 110 | S146 I157 N176 M179 S180 L189 T295 | S146-Q184 PolarHBondContact O-NE2 2.97Å; I157-Q184 HydrophobicContact CD1-CG 4.45Å; N176-Q184 PolarHBondContact ND2-O 3.48Å; N176-Q184 WeakPolarHBondContact OD1-CB 3.36Å; N176-Q184 PolarHBondContact OD1-NE2 2.9Å; M179-Q184 HydrophobicContact CB-CB 3.63Å; M179-Q184 HydrophobicContact CG-CB 3.98Å; S180-Q184 PolarHBondContact O-N 2.96Å; Q184-L189 HydrophobicContact CG-CD1 4.49Å; Q184-T295 HydrophobicContact CB-CG2 4.31Å; Q184-T295 HydrophobicContact CG-CG2 4.36Å; Q184-T295 VanDerWaalsContact OE1-CG2 3.31Å | ||
| 185 | R | 98.2 | Very high | 98.4 | Very high | 32 Ų | 32 | 13.2 Ų | 13.2 | 12% | 0.121 | 8% | 0.084 | C | C | . | . | trans | -121.2 | 90.1 | 176.1 | -78.2 | 178 | 173.7 | 176.7 | -5.4 | 109.8 | F4 L67 L187 A188 L189 | F4-R185 HydrophobicContact CD2-CG 4.13Å; F4-R185 HydrophobicContact CE1-CB 4.48Å; F4-R185 HydrophobicContact CE1-CG 4.31Å; F4-R185 HydrophobicContact CE2-CB 4.33Å; F4-R185 HydrophobicContact CE2-CG 3.64Å; F4-R185 HydrophobicContact CZ-CB 3.97Å; F4-R185 HydrophobicContact CZ-CG 3.75Å; L67-R185 VanDerWaalsContact O-CZ 3.25Å; L67-R185 PolarHBondContact O-NE 3.08Å; L67-R185 PolarHBondContact O-NH2 3.09Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.01Å; R185-A188 HydrophobicContact CB-CB 4.13Å; R185-A188 WeakPolarHBondContact O-CB 3.47Å; R185-A188 PolarHBondContact O-N 2.93Å; R185-A188 VanDerWaalsContact O-N 3.15Å; R185-L189 PolarHBondContact O-N 2.88Å | ||
| 186 | P | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.1 | -173.4 | -25.3 | 34.9 | 0 | 0 | 0 | 114.7 | V174 N176 A188 L189 G190 A191 | V174-P186 HydrophobicContact CB-CB 3.56Å; V174-P186 HydrophobicContact CB-CG 3.84Å; V174-P186 HydrophobicContact CG1-CB 3.82Å; V174-P186 HydrophobicContact CG1-CG 3.63Å; V174-P186 HydrophobicContact CG2-CB 3.8Å; N176-P186 HydrophobicContact CB-CG 3.82Å; N176-P186 WeakPolarHBondContact ND2-CD 3.44Å; P186-A188 VanDerWaalsContact C-N 3.3Å; P186-A188 PolarHBondContact O-N 2.84Å; P186-L189 CarbonylContact O-C 3.4Å; P186-L189 WeakPolarHBondContact O-CA 3.26Å; P186-L189 WeakPolarHBondContact O-CB 3.42Å; P186-L189 PolarHBondContact O-N 2.84Å; P186-G190 PolarHBondContact O-N 2.73Å; P186-G190 VanDerWaalsContact O-N 3.15Å; P186-A191 HydrophobicContact CB-CB 4.05Å; P186-A191 WeakPolarHBondContact O-CB 3.38Å; P186-A191 PolarHBondContact O-N 3.48Å; P186-A191 VanDerWaalsContact O-N 3.11Å |
| 187 | L | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 14 Ų | 14 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.6 | 176.4 | -62.6 | 178.6 | 0 | 0 | 0 | 111.4 | A70 R185 L189 G190 A191 T194 C214 | A70-L187 HydrophobicContact CB-CD1 3.4Å; A70-L187 VanDerWaalsContact CB-CD1 3.4Å; R185-L187 VanDerWaalsContact C-N 3.28Å; R185-L187 PolarHBondContact O-N 3.01Å; L187-L189 PolarHBondContact O-N 3.49Å; L187-G190 WeakPolarHBondContact O-CA 3.36Å; L187-G190 PolarHBondContact O-N 3.41Å; L187-A191 VanDerWaalsContact CD2-O 3.28Å; L187-A191 WeakPolarHBondContact CD2-O 3.44Å; L187-T194 HydrophobicContact CD1-CG2 4.26Å; L187-T194 HydrophobicContact CG-CG2 4.03Å; L187-C214 HydrophobicContact CD1-CB 4.26Å |
| 188 | A | 97.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 13.3 Ų | 13.3 | 67% | 0.669 | 9% | 0.087 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -22.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | R185 P186 G190 | R185-A188 HydrophobicContact CB-CB 4.13Å; R185-A188 WeakPolarHBondContact O-CB 3.47Å; R185-A188 PolarHBondContact O-N 2.93Å; R185-A188 VanDerWaalsContact O-N 3.15Å; P186-A188 VanDerWaalsContact C-N 3.3Å; P186-A188 PolarHBondContact O-N 2.84Å; A188-G190 VanDerWaalsContact C-N 3.33Å |
| 189 | L | 98 | Very high | 98.3 | Very high | 29 Ų | 29 | 13.7 Ų | 13.7 | 15% | 0.152 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.6 | 173.1 | -58 | 174.2 | 0 | 0 | 0 | 112.5 | I157 K158 Q184 R185 P186 L187 Q294 | I157-L189 HydrophobicContact CB-CB 4.14Å; I157-L189 HydrophobicContact CB-CD1 3.92Å; I157-L189 HydrophobicContact CD1-CD1 3.91Å; I157-L189 HydrophobicContact CG2-CB 3.63Å; I157-L189 HydrophobicContact CG2-CD1 4.12Å; K158-L189 WeakPolarHBondContact CA-O 3.28Å; Q184-L189 HydrophobicContact CG-CD1 4.49Å; R185-L189 PolarHBondContact O-N 2.88Å; P186-L189 CarbonylContact O-C 3.4Å; P186-L189 WeakPolarHBondContact O-CA 3.26Å; P186-L189 WeakPolarHBondContact O-CB 3.42Å; P186-L189 PolarHBondContact O-N 2.84Å; L187-L189 PolarHBondContact O-N 3.49Å; L189-Q294 HydrophobicContact CD1-CB 4.05Å; L189-Q294 HydrophobicContact CD2-CB 4.47Å |
| 190 | G | 98.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.5 | 6.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K165 P186 L187 A188 | K165-G190 WeakPolarHBondContact CE-O 3.21Å; P186-G190 PolarHBondContact O-N 2.73Å; P186-G190 VanDerWaalsContact O-N 3.15Å; L187-G190 WeakPolarHBondContact O-CA 3.36Å; L187-G190 PolarHBondContact O-N 3.41Å; A188-G190 VanDerWaalsContact C-N 3.33Å |
| 191 | A | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 8% | 0.083 | 11% | 0.105 | C | C | . | . | trans | -64.1 | 148.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C161 T172 V174 P186 L187 | C161-A191 VanDerWaalsContact SG-CA 3.56Å; C161-A191 PolarHBondContact SG-N 3.35Å; T172-A191 WeakPolarHBondContact OG1-CA 3.46Å; V174-A191 HydrophobicContact CG2-CB 3.85Å; P186-A191 HydrophobicContact CB-CB 4.05Å; P186-A191 WeakPolarHBondContact O-CB 3.38Å; P186-A191 PolarHBondContact O-N 3.48Å; P186-A191 VanDerWaalsContact O-N 3.11Å; L187-A191 VanDerWaalsContact CD2-O 3.28Å; L187-A191 WeakPolarHBondContact CD2-O 3.44Å | ||
| 192 | S | 98.5 | Very high | 98.2 | Very high | 31 Ų | 31 | 17.2 Ų | 17.2 | 22% | 0.217 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -73.7 | -36.7 | 173.3 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | T172 T215 | T172-S192 PolarHBondContact N-OG 2.86Å; T172-S192 VanDerWaalsContact O-CB 3.32Å; T172-S192 WeakPolarHBondContact O-CB 3.31Å; T172-S192 PolarHBondContact O-N 3.47Å; T172-S192 PolarHBondContact OG1-N 3.06Å; T172-S192 PolarHBondContact OG1-OG 3.22Å; S192-T215 PolarHBondContact O-OG1 2.93Å |
| 193 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.1 | 179.8 | -70.4 | 168.6 | -84 | 0 | 0 | 110.4 | I86 M141 L171 T172 V173 V174 V213 C214 I220 | I86-M193 HydrophobicContact CB-SD 4.43Å; I86-M193 HydrophobicContact CD1-SD 4.42Å; I86-M193 HydrophobicContact CG1-SD 4.02Å; I86-M193 HydrophobicContact CG2-CE 3.9Å; I86-M193 HydrophobicContact CG2-SD 3.78Å; M141-M193 HydrophobicContact CE-CE 4.45Å; L171-M193 HydrophobicContact CB-CE 4.18Å; L171-M193 HydrophobicContact CD1-CE 4Å; L171-M193 HydrophobicContact CG-CE 4.48Å; T172-M193 PolarHBondContact O-N 3.22Å; V173-M193 WeakPolarHBondContact CA-O 3.37Å; V173-M193 HydrophobicContact CG1-CB 4.42Å; V173-M193 HydrophobicContact CG2-CB 4.32Å; V173-M193 HydrophobicContact CG2-CE 3.66Å; V173-M193 HydrophobicContact CG2-SD 4.45Å; V174-M193 PolarHBondContact N-O 2.84Å; M193-V213 HydrophobicContact CB-CG1 4.22Å; M193-V213 HydrophobicContact CG-CG1 4.22Å; M193-V213 HydrophobicContact SD-CG1 4.35Å; M193-C214 WeakPolarHBondContact CA-O 3.25Å; M193-I220 HydrophobicContact CE-CD1 4.04Å; M193-I220 HydrophobicContact CG-CD1 3.92Å; M193-I220 HydrophobicContact CG-CG2 3.72Å; M193-I220 HydrophobicContact SD-CD1 4.19Å; M193-I220 HydrophobicContact SD-CG2 3.52Å; M193-I220 VanDerWaalsContact SD-CG2 3.52Å |
| 194 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | 160.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | E68 V174 N176 L187 V213 C214 | E68-T194 HydrophobicContact CG-CG2 3.94Å; V174-T194 VanDerWaalsContact O-CA 3.29Å; V174-T194 WeakPolarHBondContact O-CA 3.33Å; V174-T194 PolarHBondContact O-OG1 3.46Å; V174-T194 VanDerWaalsContact O-OG1 3.09Å; N176-T194 WeakPolarHBondContact CB-OG1 3.33Å; L187-T194 HydrophobicContact CD1-CG2 4.26Å; L187-T194 HydrophobicContact CG-CG2 4.03Å; T194-V213 CarbonylContact O-C 3.49Å; T194-V213 WeakPolarHBondContact O-CA 3.37Å; T194-C214 HydrophobicContact CG2-CB 3.73Å; T194-C214 PolarHBondContact N-O 3.12Å; T194-C214 PolarHBondContact O-N 3.03Å |
| 195 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.1 | -178.7 | 63 | 0 | 0 | 0 | 0 | 110 | A82 I83 I86 W143 V173 V174 D175 N176 C212 V213 | A82-V195 HydrophobicContact CB-CG2 3.87Å; I83-V195 HydrophobicContact CG1-CG2 4.45Å; I86-V195 HydrophobicContact CD1-CB 3.86Å; I86-V195 HydrophobicContact CD1-CG1 4.43Å; I86-V195 HydrophobicContact CD1-CG2 4.04Å; W143-V195 HydrophobicContact CH2-CG1 4.02Å; W143-V195 HydrophobicContact CZ2-CG1 3.75Å; V173-V195 HydrophobicContact CG1-CB 4.48Å; V173-V195 HydrophobicContact CG1-CG1 3.89Å; V174-V195 PolarHBondContact O-N 3.25Å; D175-V195 WeakPolarHBondContact CA-O 3.48Å; D175-V195 HydrophobicContact CB-CG1 3.82Å; N176-V195 PolarHBondContact N-O 3.06Å; V195-C212 WeakPolarHBondContact CA-O 3.48Å; V195-C212 WeakPolarHBondContact CG2-O 3.33Å; V195-V213 HydrophobicContact CG2-CG2 4.26Å |
| 196 | H | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.5 | 173.4 | -64.8 | -98 | 0 | 0 | 0 | 111.3 | E68 N176 V198 I202 G211 C212 | E68-H196 IonicContact OE1-CD2 3.3Å; E68-H196 IonicContact OE1-CE1 2.66Å; E68-H196 PolarHBondContact OE1-CE1 3.03Å; E68-H196 VanDerWaalsContact OE1-CE1 3.3Å; E68-H196 IonicContact OE1-NE2 2.71Å; E68-H196 PolarHBondContact OE1-NE2 3.07Å; N176-H196 VanDerWaalsContact CB-CE1 3.45Å; N176-H196 WeakPolarHBondContact CB-CE1 3.38Å; N176-H196 PolarHBondContact ND2-CE1 3.41Å; N176-H196 PolarHBondContact O-CE1 3.26Å; N176-H196 PolarHBondContact O-ND1 2.81Å; H196-V198 HydrophobicContact CB-CG2 4.41Å; H196-V198 PolarHBondContact O-N 3.29Å; H196-I202 HydrophobicContact CB-CD1 3.74Å; H196-G211 CarbonylContact O-C 3.6Å; H196-G211 WeakPolarHBondContact O-CA 3.48Å; H196-C212 PolarHBondContact N-O 2.98Å; H196-C212 PolarHBondContact O-N 3.49Å |
| 197 | S | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -78.9 | 92.1 | 149.4 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | T177 T199 K200 M210 | T177-S197 PolarHBondContact OG1-N 3.46Å; S197-T199 PolarHBondContact O-N 3.06Å; S197-T199 WeakPolarHBondContact OG-CB 3.35Å; S197-T199 PolarHBondContact OG-OG1 3.05Å; S197-T199 VanDerWaalsContact OG-OG1 3.13Å; S197-K200 WeakPolarHBondContact O-CB 3.39Å; S197-K200 PolarHBondContact O-N 3.07Å; S197-M210 CarbonylContact C-O 3.51Å | ||
| 198 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.7 | 176 | 171.9 | 0 | 0 | 0 | 0 | 112 | I64 H196 K200 I202 N203 M210 C212 V243 | I64-V198 HydrophobicContact CD1-CG2 4.41Å; H196-V198 HydrophobicContact CB-CG2 4.41Å; H196-V198 PolarHBondContact O-N 3.29Å; V198-K200 PolarHBondContact O-N 3.19Å; V198-I202 HydrophobicContact CB-CB 4.47Å; V198-I202 HydrophobicContact CG1-CB 4.13Å; V198-I202 HydrophobicContact CG1-CG2 3.9Å; V198-I202 HydrophobicContact CG2-CD1 4.16Å; V198-I202 HydrophobicContact CG2-CG2 4.45Å; V198-N203 HydrophobicContact CG1-CB 4.49Å; V198-N203 WeakPolarHBondContact O-CB 3.33Å; V198-N203 PolarHBondContact O-N 3.42Å; V198-M210 HydrophobicContact CB-CB 3.81Å; V198-M210 HydrophobicContact CB-CG 3.98Å; V198-M210 WeakPolarHBondContact CB-O 3.43Å; V198-M210 HydrophobicContact CB-SD 4.5Å; V198-M210 HydrophobicContact CG1-CB 3.9Å; V198-M210 HydrophobicContact CG1-CG 4.07Å; V198-M210 HydrophobicContact CG1-SD 4.02Å; V198-M210 HydrophobicContact CG2-CG 4.34Å; V198-M210 PolarHBondContact N-O 2.82Å; V198-C212 HydrophobicContact CG2-CB 3.82Å; V198-C212 VanDerWaalsContact CG2-SG 3.54Å; V198-V243 HydrophobicContact CG1-CB 4.21Å; V198-V243 HydrophobicContact CG1-CG1 3.37Å; V198-V243 HydrophobicContact CG1-CG2 3.71Å |
| 199 | T | 96.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | -31.5 | 167.2 | -41.6 | 0 | 0 | 0 | 0 | 114 | S197 V208 I209 M210 | S197-T199 PolarHBondContact O-N 3.06Å; S197-T199 WeakPolarHBondContact OG-CB 3.35Å; S197-T199 PolarHBondContact OG-OG1 3.05Å; S197-T199 VanDerWaalsContact OG-OG1 3.13Å; T199-V208 WeakPolarHBondContact CA-O 3.43Å; T199-V208 WeakPolarHBondContact CG2-O 3.41Å; T199-I209 HydrophobicContact CG2-CG1 4.2Å; T199-M210 PolarHBondContact N-O 3.42Å; T199-M210 PolarHBondContact OG1-N 2.63Å; T199-M210 VanDerWaalsContact OG1-N 3.14Å; T199-M210 PolarHBondContact OG1-O 3.2Å; T199-M210 VanDerWaalsContact OG1-O 3.11Å |
| 200 | K | 96.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 28.4 Ų | 28.4 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -125.8 | -174.7 | -53.4 | -55.4 | -173 | 164.1 | 0 | 111.3 | T177 S197 V198 I202 G204 E328 | T177-K200 HydrophobicContact CG2-CB 3.77Å; T177-K200 HydrophobicContact CG2-CG 3.47Å; T177-K200 VanDerWaalsContact CG2-CG 3.47Å; S197-K200 WeakPolarHBondContact O-CB 3.39Å; S197-K200 PolarHBondContact O-N 3.07Å; V198-K200 PolarHBondContact O-N 3.19Å; K200-I202 VanDerWaalsContact C-N 3.33Å; K200-I202 PolarHBondContact O-N 3.06Å; K200-G204 WeakPolarHBondContact O-CA 3.45Å; K200-G204 PolarHBondContact O-N 3.26Å; K200-E328 IonicContact NZ-OE1 3.62Å; K200-E328 PolarHBondContact NZ-OE1 2.94Å; K200-E328 IonicContact NZ-OE2 3.37Å; K200-E328 PolarHBondContact NZ-OE2 2.96Å |
| 201 | Y | 97.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.7 | -170.2 | -74.4 | -62.1 | 0 | 0 | 0 | 114.7 | F178 G204 L250 R253 M254 H257 G300 M301 | F178-Y201 WeakPolarHBondContact O-CE2 3.25Å; Y201-G204 PolarHBondContact O-N 3.44Å; Y201-L250 VanDerWaalsContact O-CD1 3.26Å; Y201-L250 WeakPolarHBondContact O-CD1 3.48Å; Y201-R253 PolarHBondContact O-NH1 3.43Å; Y201-R253 PolarHBondContact O-NH2 2.96Å; Y201-R253 VanDerWaalsContact O-NH2 3.12Å; Y201-M254 HydrophobicContact CD1-CE 3.96Å; Y201-M254 HydrophobicContact CD1-SD 3.44Å; Y201-M254 WeakPolarHBondContact CD1-SD 3.42Å; Y201-M254 HydrophobicContact CD2-CE 4.14Å; Y201-M254 HydrophobicContact CD2-SD 4.45Å; Y201-M254 HydrophobicContact CE1-CE 4.25Å; Y201-M254 HydrophobicContact CE1-SD 4.14Å; Y201-M254 HydrophobicContact CE2-CE 4.41Å; Y201-M254 HydrophobicContact CG-CE 3.91Å; Y201-M254 HydrophobicContact CG-SD 3.63Å; Y201-H257 AromaticContact CD1-CD2 3.79Å; Y201-H257 AromaticContact CD1-NE2 3.79Å; Y201-H257 AromaticContact CE1-CD2 3.54Å; Y201-H257 AromaticContact CE1-CE1 3.94Å; Y201-H257 AromaticContact CE1-CG 3.88Å; Y201-H257 AromaticContact CE1-NE2 3.6Å; Y201-G300 PolarHBondContact OH-N 3.17Å; Y201-M301 HydrophobicContact CE2-CG 4.15Å; Y201-M301 HydrophobicContact CE2-SD 4.37Å |
| 202 | I | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -54.4 | -177.5 | -64.3 | 179.6 | 0 | 0 | 0 | 110.3 | I64 H196 V198 K200 V243 I247 R253 | I64-I202 HydrophobicContact CD1-CG2 4.44Å; H196-I202 HydrophobicContact CB-CD1 3.74Å; V198-I202 HydrophobicContact CB-CB 4.47Å; V198-I202 HydrophobicContact CG1-CB 4.13Å; V198-I202 HydrophobicContact CG1-CG2 3.9Å; V198-I202 HydrophobicContact CG2-CD1 4.16Å; V198-I202 HydrophobicContact CG2-CG2 4.45Å; K200-I202 VanDerWaalsContact C-N 3.33Å; K200-I202 PolarHBondContact O-N 3.06Å; I202-V243 HydrophobicContact CG2-CG1 4.08Å; I202-I247 HydrophobicContact CG2-CD1 3.78Å; I202-I247 HydrophobicContact CG2-CG1 3.65Å; I202-R253 PolarHBondContact O-NH2 3.32Å |
| 203 | N | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -57.1 | 169.8 | -178.7 | 47.3 | 0 | 0 | 0 | 110.7 | V198 H205 D207 V243 G246 | V198-N203 HydrophobicContact CG1-CB 4.49Å; V198-N203 WeakPolarHBondContact O-CB 3.33Å; V198-N203 PolarHBondContact O-N 3.42Å; N203-H205 VanDerWaalsContact C-N 3.29Å; N203-H205 PolarHBondContact O-N 3.12Å; N203-H205 PolarHBondContact O-ND1 3.4Å; N203-D207 PolarHBondContact ND2-OD1 2.82Å; N203-V243 HydrophobicContact CB-CG2 4.11Å; N203-G246 WeakPolarHBondContact O-CA 3.34Å |
| 204 | G | 94.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 25.8 Ų | 25.8 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | trans | 76.2 | 4.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K200 Y201 | K200-G204 WeakPolarHBondContact O-CA 3.45Å; K200-G204 PolarHBondContact O-N 3.26Å; Y201-G204 PolarHBondContact O-N 3.44Å | ||
| 205 | H | 95.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 25.9 Ų | 25.9 | 38% | 0.38 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -122.6 | 8.6 | -174.6 | -62.3 | 81.6 | 0 | 0 | 0 | 113.6 | N203 D207 | N203-H205 VanDerWaalsContact C-N 3.29Å; N203-H205 PolarHBondContact O-N 3.12Å; N203-H205 PolarHBondContact O-ND1 3.4Å; H205-D207 PolarHBondContact O-N 3.06Å |
| 206 | S | 93 | Very high | 97.5 | Very high | 98 Ų | 98 | 29 Ų | 29 | 69% | 0.685 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 54.3 | 27.5 | 173.1 | -58 | 0 | 0 | 0 | 0 | 115.7 | ||
| 207 | D | 96.1 | Very high | 97.5 | Very high | 91 Ų | 91 | 31 Ų | 31 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -125.6 | -0.5 | -174.4 | 59.4 | -6.4 | 0 | 0 | 0 | 113.8 | N203 H205 | N203-D207 PolarHBondContact ND2-OD1 2.82Å; H205-D207 PolarHBondContact O-N 3.06Å |
| 208 | V | 97.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | trans | -133 | 135.6 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | T199 M210 D239 L242 V243 | T199-V208 WeakPolarHBondContact CA-O 3.43Å; T199-V208 WeakPolarHBondContact CG2-O 3.41Å; V208-M210 HydrophobicContact CG1-CB 4Å; V208-M210 HydrophobicContact CG1-CE 4.14Å; V208-D239 HydrophobicContact CG1-CB 3.78Å; V208-D239 HydrophobicContact CG2-CB 4.49Å; V208-L242 HydrophobicContact CG2-CB 3.68Å; V208-L242 HydrophobicContact CG2-CD1 3.82Å; V208-L242 HydrophobicContact CG2-CG 4.42Å; V208-V243 HydrophobicContact CB-CG2 4.13Å; V208-V243 HydrophobicContact CG1-CG2 3.68Å; V208-V243 HydrophobicContact CG2-CG2 4.32Å | ||
| 209 | I | 98.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 43.2 Ų | 43.2 | 56% | 0.559 | 23% | 0.231 | S | C | * | . | trans | -102 | 120.8 | 165.2 | -60 | 174.9 | 0 | 0 | 0 | 107.9 | A77 T199 | A77-I209 VanDerWaalsContact O-O 3.12Å; T199-I209 HydrophobicContact CG2-CG1 4.2Å | ||
| 210 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -156.4 | 155.2 | -179.9 | -175.7 | 176.4 | -58.2 | 0 | 0 | 110.1 | L60 T75 F76 G79 S197 V198 T199 V208 P235 D239 V243 | L60-M210 HydrophobicContact CD2-CE 4.21Å; L60-M210 HydrophobicContact CD2-SD 3.6Å; T75-M210 HydrophobicContact CG2-SD 4.18Å; F76-M210 VanDerWaalsContact O-CG 3.32Å; F76-M210 WeakPolarHBondContact O-CG 3.5Å; G79-M210 PolarHBondContact N-O 3.3Å; S197-M210 CarbonylContact C-O 3.51Å; V198-M210 HydrophobicContact CB-CB 3.81Å; V198-M210 HydrophobicContact CB-CG 3.98Å; V198-M210 WeakPolarHBondContact CB-O 3.43Å; V198-M210 HydrophobicContact CB-SD 4.5Å; V198-M210 HydrophobicContact CG1-CB 3.9Å; V198-M210 HydrophobicContact CG1-CG 4.07Å; V198-M210 HydrophobicContact CG1-SD 4.02Å; V198-M210 HydrophobicContact CG2-CG 4.34Å; V198-M210 PolarHBondContact N-O 2.82Å; T199-M210 PolarHBondContact N-O 3.42Å; T199-M210 PolarHBondContact OG1-N 2.63Å; T199-M210 VanDerWaalsContact OG1-N 3.14Å; T199-M210 PolarHBondContact OG1-O 3.2Å; T199-M210 VanDerWaalsContact OG1-O 3.11Å; V208-M210 HydrophobicContact CG1-CB 4Å; V208-M210 HydrophobicContact CG1-CE 4.14Å; M210-P235 HydrophobicContact CE-CB 3.57Å; M210-P235 HydrophobicContact CE-CG 4.11Å; M210-P235 HydrophobicContact CG-CB 4.31Å; M210-P235 HydrophobicContact SD-CB 4.34Å; M210-P235 HydrophobicContact SD-CG 4.42Å; M210-D239 HydrophobicContact CE-CB 3.89Å; M210-V243 HydrophobicContact CE-CG2 3.79Å; M210-V243 HydrophobicContact SD-CB 4.45Å; M210-V243 HydrophobicContact SD-CG2 3.94Å | ||
| 211 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 161.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T75 F76 S78 H196 | T75-G211 CarbonylContact C-O 3.59Å; T75-G211 WeakPolarHBondContact CA-O 3.32Å; F76-G211 PolarHBondContact N-O 3.46Å; F76-G211 PolarHBondContact O-N 3.4Å; S78-G211 VanDerWaalsContact C-CA 3.5Å; S78-G211 WeakPolarHBondContact O-CA 3.35Å; S78-G211 PolarHBondContact O-N 3.43Å; H196-G211 CarbonylContact O-C 3.6Å; H196-G211 WeakPolarHBondContact O-CA 3.48Å |
| 212 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.8 | 169 | 70 | 0 | 0 | 0 | 0 | 111.5 | I64 K74 T75 V195 H196 V198 | I64-C212 HydrophobicContact CD1-CB 4.29Å; K74-C212 CarbonylContact O-C 3.58Å; K74-C212 WeakPolarHBondContact O-CA 3.49Å; T75-C212 HydrophobicContact CG2-CB 4Å; V195-C212 WeakPolarHBondContact CA-O 3.48Å; V195-C212 WeakPolarHBondContact CG2-O 3.33Å; H196-C212 PolarHBondContact N-O 2.98Å; H196-C212 PolarHBondContact O-N 3.49Å; V198-C212 HydrophobicContact CG2-CB 3.82Å; V198-C212 VanDerWaalsContact CG2-SG 3.54Å |
| 213 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.5 | 173.9 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | C73 K74 F76 A82 I86 M193 T194 V195 L224 | C73-V213 CarbonylContact C-O 3.57Å; C73-V213 VanDerWaalsContact CA-O 3.29Å; C73-V213 WeakPolarHBondContact CA-O 3.34Å; K74-V213 PolarHBondContact N-O 3.19Å; K74-V213 PolarHBondContact O-N 3.12Å; F76-V213 HydrophobicContact CD2-CG2 4.17Å; F76-V213 HydrophobicContact CE2-CB 4.38Å; F76-V213 HydrophobicContact CE2-CG2 3.74Å; A82-V213 HydrophobicContact CB-CG2 3.77Å; I86-V213 HydrophobicContact CD1-CB 4.4Å; I86-V213 HydrophobicContact CD1-CG1 3.76Å; I86-V213 HydrophobicContact CD1-CG2 3.7Å; I86-V213 HydrophobicContact CG1-CB 4.49Å; I86-V213 HydrophobicContact CG1-CG1 3.89Å; I86-V213 HydrophobicContact CG1-CG2 3.79Å; M193-V213 HydrophobicContact CB-CG1 4.22Å; M193-V213 HydrophobicContact CG-CG1 4.22Å; M193-V213 HydrophobicContact SD-CG1 4.35Å; T194-V213 CarbonylContact O-C 3.49Å; T194-V213 WeakPolarHBondContact O-CA 3.37Å; V195-V213 HydrophobicContact CG2-CG2 4.26Å; V213-L224 HydrophobicContact CB-CD1 3.85Å; V213-L224 HydrophobicContact CB-CD2 4.32Å; V213-L224 HydrophobicContact CG1-CD1 3.68Å; V213-L224 HydrophobicContact CG1-CD2 4.34Å; V213-L224 HydrophobicContact CG2-CD2 4.27Å |
| 214 | C | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.9 | 175 | -53 | 0 | 0 | 0 | 0 | 110.8 | E68 A70 Y72 L187 M193 T194 | E68-C214 HydrophobicContact CB-CB 4.13Å; E68-C214 HydrophobicContact CG-CB 4.13Å; A70-C214 HydrophobicContact CB-CB 3.8Å; Y72-C214 VanDerWaalsContact O-CA 3.24Å; Y72-C214 WeakPolarHBondContact O-CA 3.32Å; L187-C214 HydrophobicContact CD1-CB 4.26Å; M193-C214 WeakPolarHBondContact CA-O 3.25Å; T194-C214 HydrophobicContact CG2-CB 3.73Å; T194-C214 PolarHBondContact N-O 3.12Å; T194-C214 PolarHBondContact O-N 3.03Å |
| 215 | T | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 157.2 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | Y72 S192 S217 I220 F221 | Y72-T215 HydrophobicContact CD2-CG2 4.49Å; Y72-T215 PolarHBondContact N-O 2.89Å; Y72-T215 PolarHBondContact O-N 3.04Å; S192-T215 PolarHBondContact O-OG1 2.93Å; T215-S217 PolarHBondContact OG1-N 2.8Å; T215-S217 VanDerWaalsContact OG1-N 3.11Å; T215-I220 HydrophobicContact CG2-CB 4.03Å; T215-I220 HydrophobicContact CG2-CG2 3.83Å; T215-F221 HydrophobicContact CG2-CB 4.36Å |
| 216 | D | 98.6 | Very high | 98 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -97 | -9.8 | 168 | -70.3 | -33.6 | 0 | 0 | 0 | 113.3 | A70 K71 | A70-D216 WeakPolarHBondContact CA-OD1 3.11Å; K71-D216 HydrophobicContact CD-CB 4.38Å; K71-D216 WeakPolarHBondContact CG-OD1 3.43Å; K71-D216 PolarHBondContact N-OD1 3.31Å |
| 217 | S | 98.3 | Very high | 98.3 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | trans | -80.9 | 122 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | T215 E219 I220 F221 | T215-S217 PolarHBondContact OG1-N 2.8Å; T215-S217 VanDerWaalsContact OG1-N 3.11Å; S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 3.05Å; S217-E219 PolarHBondContact OG-N 3.09Å; S217-I220 PolarHBondContact O-N 3.01Å; S217-I220 PolarHBondContact OG-N 2.85Å; S217-F221 WeakPolarHBondContact O-CB 3.24Å; S217-F221 PolarHBondContact O-N 2.98Å | ||
| 218 | K | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 43.9 Ų | 43.9 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62 | -38.9 | 173.9 | -169.8 | -175.5 | -178 | -149.8 | 0 | 111.7 | Y72 F221 E222 | Y72-K218 HydrophobicContact CE2-CB 4.38Å; K218-F221 WeakPolarHBondContact O-CB 3.38Å; K218-F221 PolarHBondContact O-N 2.93Å; K218-E222 WeakPolarHBondContact CE-OE1 3.49Å; K218-E222 HydrophobicContact CG-CG 4.49Å; K218-E222 IonicContact NZ-OE1 3.61Å; K218-E222 PolarHBondContact NZ-OE1 3.09Å; K218-E222 WeakPolarHBondContact O-CB 3.3Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 2.56Å |
| 219 | E | 98.2 | Very high | 98.2 | Very high | 155 Ų | 155 | 47 Ų | 47 | 72% | 0.724 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.9 | -46.3 | 178.4 | -178.4 | -177 | 179.7 | 0 | 0 | 111.5 | S217 F221 E222 H223 | S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 3.05Å; S217-E219 PolarHBondContact OG-N 3.09Å; E219-F221 VanDerWaalsContact C-N 3.33Å; E219-F221 PolarHBondContact O-N 2.95Å; E219-E222 PolarHBondContact O-N 2.87Å; E219-H223 PolarHBondContact O-N 3.28Å |
| 220 | I | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.3 | -62.9 | 176 | 0 | 0 | 0 | 110 | I89 L171 M193 T215 S217 E222 H223 L224 | I89-I220 HydrophobicContact CD1-CG2 4.49Å; L171-I220 HydrophobicContact CD2-CD1 4.01Å; M193-I220 HydrophobicContact CE-CD1 4.04Å; M193-I220 HydrophobicContact CG-CD1 3.92Å; M193-I220 HydrophobicContact CG-CG2 3.72Å; M193-I220 HydrophobicContact SD-CD1 4.19Å; M193-I220 HydrophobicContact SD-CG2 3.52Å; M193-I220 VanDerWaalsContact SD-CG2 3.52Å; T215-I220 HydrophobicContact CG2-CB 4.03Å; T215-I220 HydrophobicContact CG2-CG2 3.83Å; S217-I220 PolarHBondContact O-N 3.01Å; S217-I220 PolarHBondContact OG-N 2.85Å; I220-E222 PolarHBondContact O-N 3.07Å; I220-H223 PolarHBondContact O-N 2.63Å; I220-L224 HydrophobicContact CG2-CD1 3.87Å; I220-L224 HydrophobicContact CG2-CG 4.22Å; I220-L224 VanDerWaalsContact O-CG 3.24Å; I220-L224 WeakPolarHBondContact O-CG 3.43Å; I220-L224 PolarHBondContact O-N 2.82Å |
| 221 | F | 98.5 | Very high | 98.1 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 176 | 169.9 | -107.4 | 0 | 0 | 0 | 112.6 | Y72 K74 T215 S217 K218 E219 H223 L224 N225 | Y72-F221 VanDerWaalsContact CB-CD2 3.44Å; Y72-F221 HydrophobicContact CD1-CB 4.39Å; Y72-F221 HydrophobicContact CD1-CD1 4.01Å; Y72-F221 AromaticContact CD1-CD2 3.88Å; Y72-F221 HydrophobicContact CD1-CD2 3.88Å; Y72-F221 HydrophobicContact CD1-CE1 4.2Å; Y72-F221 HydrophobicContact CD1-CE2 4.03Å; Y72-F221 AromaticContact CD1-CG 3.82Å; Y72-F221 HydrophobicContact CD1-CG 3.82Å; Y72-F221 HydrophobicContact CD1-CZ 4.2Å; Y72-F221 HydrophobicContact CD2-CB 3.69Å; Y72-F221 HydrophobicContact CD2-CD2 4.49Å; Y72-F221 HydrophobicContact CD2-CG 4.04Å; Y72-F221 HydrophobicContact CE1-CD1 4.2Å; Y72-F221 HydrophobicContact CE1-CE1 4.39Å; Y72-F221 HydrophobicContact CE1-CG 4.4Å; Y72-F221 HydrophobicContact CE2-CB 4.28Å; Y72-F221 HydrophobicContact CG-CB 3.76Å; Y72-F221 HydrophobicContact CG-CD1 4.24Å; Y72-F221 AromaticContact CG-CD2 3.69Å; Y72-F221 HydrophobicContact CG-CD2 3.69Å; Y72-F221 HydrophobicContact CG-CE2 4.27Å; Y72-F221 AromaticContact CG-CG 3.62Å; Y72-F221 HydrophobicContact CG-CG 3.62Å; K74-F221 HydrophobicContact CD-CE2 4.06Å; K74-F221 VanDerWaalsContact CE-CE2 3.46Å; K74-F221 HydrophobicContact CG-CD2 4.23Å; K74-F221 HydrophobicContact CG-CE2 4.26Å; T215-F221 HydrophobicContact CG2-CB 4.36Å; S217-F221 WeakPolarHBondContact O-CB 3.24Å; S217-F221 PolarHBondContact O-N 2.98Å; K218-F221 WeakPolarHBondContact O-CB 3.38Å; K218-F221 PolarHBondContact O-N 2.93Å; E219-F221 VanDerWaalsContact C-N 3.33Å; E219-F221 PolarHBondContact O-N 2.95Å; F221-H223 VanDerWaalsContact C-N 3.35Å; F221-L224 PolarHBondContact O-N 3.11Å; F221-N225 WeakPolarHBondContact O-CB 3.44Å; F221-N225 PolarHBondContact O-N 2.83Å |
| 222 | E | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.1 | -75.3 | 173.1 | -179.8 | 0 | 0 | 111.2 | K218 E219 I220 N225 F226 | K218-E222 WeakPolarHBondContact CE-OE1 3.49Å; K218-E222 HydrophobicContact CG-CG 4.49Å; K218-E222 IonicContact NZ-OE1 3.61Å; K218-E222 PolarHBondContact NZ-OE1 3.09Å; K218-E222 WeakPolarHBondContact O-CB 3.3Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 2.56Å; E219-E222 PolarHBondContact O-N 2.87Å; I220-E222 PolarHBondContact O-N 3.07Å; E222-N225 PolarHBondContact O-N 2.96Å; E222-F226 PolarHBondContact O-N 3.06Å |
| 223 | H | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 52 Ų | 52 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -51.7 | 172 | 172 | 81.4 | 0 | 0 | 0 | 112.1 | A85 A88 I89 E219 I220 F221 N225 F226 Q227 | A85-H223 PolarHBondContact O-NE2 2.94Å; A88-H223 VanDerWaalsContact C-CE1 3.49Å; I89-H223 HydrophobicContact CG1-CB 4.45Å; I89-H223 WeakPolarHBondContact CG1-CD2 3.3Å; I89-H223 WeakPolarHBondContact CG1-NE2 3.35Å; I89-H223 PolarHBondContact N-CE1 3.32Å; E219-H223 PolarHBondContact O-N 3.28Å; I220-H223 PolarHBondContact O-N 2.63Å; F221-H223 VanDerWaalsContact C-N 3.35Å; H223-N225 VanDerWaalsContact C-N 3.28Å; H223-N225 PolarHBondContact O-N 2.86Å; H223-F226 CarbonylContact O-C 3.57Å; H223-F226 WeakPolarHBondContact O-CA 3.36Å; H223-F226 WeakPolarHBondContact O-CB 3.31Å; H223-F226 PolarHBondContact O-N 3.16Å; H223-F226 VanDerWaalsContact O-N 3.09Å; H223-Q227 PolarHBondContact CE1-NE2 2.63Å; H223-Q227 WeakPolarHBondContact NE2-CG 3.49Å; H223-Q227 WeakPolarHBondContact O-CG 3.36Å; H223-Q227 PolarHBondContact O-N 2.95Å |
| 224 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | -179.7 | -67.8 | 169.5 | 0 | 0 | 0 | 111.9 | K74 F76 A85 I86 V213 I220 F221 Q227 Q228 | K74-L224 HydrophobicContact CB-CB 4.16Å; K74-L224 HydrophobicContact CG-CB 3.91Å; F76-L224 HydrophobicContact CE2-CD2 4.3Å; F76-L224 HydrophobicContact CZ-CB 4.4Å; F76-L224 HydrophobicContact CZ-CD2 3.97Å; A85-L224 HydrophobicContact CB-CD2 4.09Å; I86-L224 HydrophobicContact CG1-CD2 4.37Å; V213-L224 HydrophobicContact CB-CD1 3.85Å; V213-L224 HydrophobicContact CB-CD2 4.32Å; V213-L224 HydrophobicContact CG1-CD1 3.68Å; V213-L224 HydrophobicContact CG1-CD2 4.34Å; V213-L224 HydrophobicContact CG2-CD2 4.27Å; I220-L224 HydrophobicContact CG2-CD1 3.87Å; I220-L224 HydrophobicContact CG2-CG 4.22Å; I220-L224 VanDerWaalsContact O-CG 3.24Å; I220-L224 WeakPolarHBondContact O-CG 3.43Å; I220-L224 PolarHBondContact O-N 2.82Å; F221-L224 PolarHBondContact O-N 3.11Å; L224-Q227 PolarHBondContact O-N 3.28Å; L224-Q228 PolarHBondContact O-N 2.75Å |
| 225 | N | 97.2 | Very high | 98 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.9 | -169.5 | 68.4 | 0 | 0 | 0 | 111.4 | K74 F221 E222 H223 Q228 L229 | K74-N225 WeakPolarHBondContact CE-OD1 3.28Å; K74-N225 PolarHBondContact NZ-OD1 3.37Å; F221-N225 WeakPolarHBondContact O-CB 3.44Å; F221-N225 PolarHBondContact O-N 2.83Å; E222-N225 PolarHBondContact O-N 2.96Å; H223-N225 VanDerWaalsContact C-N 3.28Å; H223-N225 PolarHBondContact O-N 2.86Å; N225-Q228 PolarHBondContact O-N 3.23Å; N225-L229 PolarHBondContact O-N 3.33Å; N225-L229 VanDerWaalsContact O-N 3.13Å |
| 226 | F | 97.9 | Very high | 98 | Very high | 123 Ų | 123 | 56.2 Ų | 56.2 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 173.2 | -176.6 | -105.6 | 0 | 0 | 0 | 112 | E222 H223 L229 A230 | E222-F226 PolarHBondContact O-N 3.06Å; H223-F226 CarbonylContact O-C 3.57Å; H223-F226 WeakPolarHBondContact O-CA 3.36Å; H223-F226 WeakPolarHBondContact O-CB 3.31Å; H223-F226 PolarHBondContact O-N 3.16Å; H223-F226 VanDerWaalsContact O-N 3.09Å; F226-L229 PolarHBondContact O-N 3.32Å; F226-A230 HydrophobicContact CD1-CB 4.26Å; F226-A230 HydrophobicContact CD2-CB 4.47Å; F226-A230 HydrophobicContact CE1-CB 3.86Å; F226-A230 HydrophobicContact CE2-CB 4.09Å; F226-A230 HydrophobicContact CZ-CB 3.76Å; F226-A230 VanDerWaalsContact O-CB 3.29Å; F226-A230 WeakPolarHBondContact O-CB 3.46Å; F226-A230 PolarHBondContact O-N 3.1Å |
| 227 | Q | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.5 | -66.2 | -60.2 | -48.4 | 0 | 0 | 112.3 | F76 A85 A88 H223 L224 L229 V231 G232 | F76-Q227 HydrophobicContact CE1-CB 4.49Å; A85-Q227 HydrophobicContact CB-CB 3.89Å; A85-Q227 HydrophobicContact CB-CG 4.07Å; A88-Q227 HydrophobicContact CB-CG 4.49Å; H223-Q227 PolarHBondContact CE1-NE2 2.63Å; H223-Q227 WeakPolarHBondContact NE2-CG 3.49Å; H223-Q227 WeakPolarHBondContact O-CG 3.36Å; H223-Q227 PolarHBondContact O-N 2.95Å; L224-Q227 PolarHBondContact O-N 3.28Å; Q227-L229 VanDerWaalsContact C-N 3.25Å; Q227-L229 PolarHBondContact O-N 3.38Å; Q227-V231 WeakPolarHBondContact O-CB 3.32Å; Q227-V231 PolarHBondContact O-N 2.7Å; Q227-G232 PolarHBondContact O-N 3.1Å |
| 228 | Q | 96.9 | Very high | 98 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.7 | -41.9 | 173.7 | -76.5 | -172 | -23.2 | 0 | 0 | 111.4 | E61 K74 T75 F76 L224 N225 G232 V234 | E61-Q228 PolarHBondContact OE1-NE2 3.05Å; K74-Q228 VanDerWaalsContact NZ-OE1 3.07Å; T75-Q228 PolarHBondContact O-NE2 3.39Å; F76-Q228 HydrophobicContact CD1-CG 4.47Å; F76-Q228 HydrophobicContact CE1-CG 3.89Å; F76-Q228 HydrophobicContact CZ-CG 4.21Å; L224-Q228 PolarHBondContact O-N 2.75Å; N225-Q228 PolarHBondContact O-N 3.23Å; Q228-G232 VanDerWaalsContact O-CA 3.3Å; Q228-G232 WeakPolarHBondContact O-CA 3.35Å; Q228-G232 PolarHBondContact O-N 3.1Å; Q228-V234 HydrophobicContact CB-CG1 3.78Å; Q228-V234 HydrophobicContact CG-CG1 3.98Å |
| 229 | L | 95.3 | Very high | 98 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.6 | -55.2 | -179.7 | -174.8 | 68.5 | 0 | 0 | 0 | 112.2 | R51 N225 F226 Q227 | R51-L229 PolarHBondContact NH1-O 3.03Å; N225-L229 PolarHBondContact O-N 3.33Å; N225-L229 VanDerWaalsContact O-N 3.13Å; F226-L229 PolarHBondContact O-N 3.32Å; Q227-L229 VanDerWaalsContact C-N 3.25Å; Q227-L229 PolarHBondContact O-N 3.38Å |
| 230 | A | 97.2 | Very high | 98 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 51% | 0.512 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -81.1 | -39.9 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | F226 | F226-A230 HydrophobicContact CD1-CB 4.26Å; F226-A230 HydrophobicContact CD2-CB 4.47Å; F226-A230 HydrophobicContact CE1-CB 3.86Å; F226-A230 HydrophobicContact CE2-CB 4.09Å; F226-A230 HydrophobicContact CZ-CB 3.76Å; F226-A230 VanDerWaalsContact O-CB 3.29Å; F226-A230 WeakPolarHBondContact O-CB 3.46Å; F226-A230 PolarHBondContact O-N 3.1Å |
| 231 | V | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 48 Ų | 48 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -33.8 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | Q227 A233 | Q227-V231 WeakPolarHBondContact O-CB 3.32Å; Q227-V231 PolarHBondContact O-N 2.7Å; V231-A233 VanDerWaalsContact C-N 3.33Å; V231-A233 HydrophobicContact CG1-CB 4.34Å; V231-A233 PolarHBondContact O-N 2.91Å |
| 232 | G | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | trans | 76.4 | 15 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q227 Q228 V234 | Q227-G232 PolarHBondContact O-N 3.1Å; Q228-G232 VanDerWaalsContact O-CA 3.3Å; Q228-G232 WeakPolarHBondContact O-CA 3.35Å; Q228-G232 PolarHBondContact O-N 3.1Å; G232-V234 PolarHBondContact O-N 3Å | ||
| 233 | A | 98.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | trans | -77.2 | 51.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F76 A77 A81 V231 | F76-A233 CarbonylContact C-O 3.3Å; F76-A233 WeakPolarHBondContact CA-O 3.44Å; A77-A233 PolarHBondContact N-O 3.49Å; A81-A233 HydrophobicContact CB-CB 3.95Å; V231-A233 VanDerWaalsContact C-N 3.33Å; V231-A233 HydrophobicContact CG1-CB 4.34Å; V231-A233 PolarHBondContact O-N 2.91Å | ||
| 234 | V | 98.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 149.2 | -174.4 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | R51 Q228 G232 | R51-V234 HydrophobicContact CG-CG2 4.32Å; Q228-V234 HydrophobicContact CB-CG1 3.78Å; Q228-V234 HydrophobicContact CG-CG1 3.98Å; G232-V234 PolarHBondContact O-N 3Å |
| 235 | P | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 157.5 | 176.3 | 31.7 | -34 | 0 | 0 | 0 | 112.1 | R57 T75 M210 | R57-P235 HydrophobicContact CG-CG 4.49Å; T75-P235 WeakPolarHBondContact O-CD 3.47Å; M210-P235 HydrophobicContact CE-CB 3.57Å; M210-P235 HydrophobicContact CE-CG 4.11Å; M210-P235 HydrophobicContact CG-CB 4.31Å; M210-P235 HydrophobicContact SD-CB 4.34Å; M210-P235 HydrophobicContact SD-CG 4.42Å |
| 236 | S | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 140 | 169.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | F238 D239 C240 | S236-F238 PolarHBondContact O-N 3.43Å; S236-F238 PolarHBondContact OG-N 3.14Å; S236-D239 PolarHBondContact O-N 2.82Å; S236-C240 PolarHBondContact O-N 2.84Å; S236-C240 PolarHBondContact O-SG 3.21Å |
| 237 | P | 98.4 | Very high | 98.1 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.143 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -30.7 | 172.1 | -22.5 | 32.8 | 0 | 0 | 0 | 112.9 | C31 L32 T56 C240 Y241 | C31-P237 WeakPolarHBondContact O-CB 3.43Å; L32-P237 HydrophobicContact CD2-CB 4.31Å; T56-P237 VanDerWaalsContact CG2-O 3.28Å; T56-P237 WeakPolarHBondContact CG2-O 3.45Å; P237-C240 WeakPolarHBondContact O-CB 3.18Å; P237-C240 PolarHBondContact O-N 2.93Å; P237-Y241 PolarHBondContact O-N 2.83Å |
| 238 | F | 98.7 | Very high | 98.1 | Very high | 96 Ų | 96 | 40.3 Ų | 40.3 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 174.9 | -176 | -96.9 | 0 | 0 | 0 | 111.6 | I30 L32 S236 C240 Y241 L242 | I30-F238 HydrophobicContact CD1-CD2 4Å; I30-F238 HydrophobicContact CD1-CE2 4.21Å; I30-F238 HydrophobicContact CG2-CD2 4.45Å; L32-F238 HydrophobicContact CD2-CB 4.33Å; S236-F238 PolarHBondContact O-N 3.43Å; S236-F238 PolarHBondContact OG-N 3.14Å; F238-C240 VanDerWaalsContact C-N 3.28Å; F238-C240 PolarHBondContact O-N 3.19Å; F238-Y241 WeakPolarHBondContact O-CB 3.29Å; F238-Y241 PolarHBondContact O-N 2.93Å; F238-Y241 VanDerWaalsContact O-N 3.16Å; F238-L242 HydrophobicContact CD1-CD1 4.03Å; F238-L242 HydrophobicContact CD1-CG 4.35Å; F238-L242 HydrophobicContact CE1-CD1 3.59Å; F238-L242 HydrophobicContact CE1-CD2 4.49Å; F238-L242 HydrophobicContact CE1-CG 4.04Å; F238-L242 HydrophobicContact CZ-CD1 4.36Å; F238-L242 HydrophobicContact CZ-CG 4.49Å; F238-L242 PolarHBondContact O-N 3.2Å |
| 239 | D | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.3 | -67.6 | 7.8 | 0 | 0 | 0 | 110.9 | V208 M210 S236 Y241 L242 V243 | V208-D239 HydrophobicContact CG1-CB 3.78Å; V208-D239 HydrophobicContact CG2-CB 4.49Å; M210-D239 HydrophobicContact CE-CB 3.89Å; S236-D239 PolarHBondContact O-N 2.82Å; D239-Y241 VanDerWaalsContact C-N 3.29Å; D239-Y241 PolarHBondContact O-N 3.33Å; D239-L242 PolarHBondContact O-N 3.49Å; D239-V243 WeakPolarHBondContact O-CG2 3.46Å; D239-V243 PolarHBondContact O-N 3.29Å |
| 240 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 174.8 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | T56 R57 L60 S236 P237 F238 N244 | T56-C240 HydrophobicContact CG2-CB 4.25Å; R57-C240 HydrophobicContact CB-CB 4.45Å; L60-C240 HydrophobicContact CB-CB 4.48Å; L60-C240 HydrophobicContact CD2-CB 3.91Å; S236-C240 PolarHBondContact O-N 2.84Å; S236-C240 PolarHBondContact O-SG 3.21Å; P237-C240 WeakPolarHBondContact O-CB 3.18Å; P237-C240 PolarHBondContact O-N 2.93Å; F238-C240 VanDerWaalsContact C-N 3.28Å; F238-C240 PolarHBondContact O-N 3.19Å; C240-N244 VanDerWaalsContact O-CB 3.24Å; C240-N244 WeakPolarHBondContact O-CB 3.46Å; C240-N244 PolarHBondContact O-N 2.89Å |
| 241 | Y | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 26% | 0.255 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.5 | 170.8 | -92.5 | 0 | 0 | 0 | 112.1 | V27 I30 P237 F238 D239 V243 N244 R245 | V27-Y241 HydrophobicContact CG1-CE2 3.8Å; I30-Y241 HydrophobicContact CD1-CD1 3.58Å; I30-Y241 HydrophobicContact CD1-CD2 4.05Å; I30-Y241 HydrophobicContact CD1-CE1 3.97Å; I30-Y241 HydrophobicContact CD1-CE2 4.39Å; I30-Y241 HydrophobicContact CD1-CG 3.64Å; I30-Y241 HydrophobicContact CG1-CD1 4.09Å; I30-Y241 HydrophobicContact CG1-CD2 3.63Å; I30-Y241 HydrophobicContact CG1-CE2 4.15Å; I30-Y241 HydrophobicContact CG1-CG 3.59Å; P237-Y241 PolarHBondContact O-N 2.83Å; F238-Y241 WeakPolarHBondContact O-CB 3.29Å; F238-Y241 PolarHBondContact O-N 2.93Å; F238-Y241 VanDerWaalsContact O-N 3.16Å; D239-Y241 VanDerWaalsContact C-N 3.29Å; D239-Y241 PolarHBondContact O-N 3.33Å; Y241-V243 PolarHBondContact O-N 2.99Å; Y241-N244 PolarHBondContact O-N 3.32Å; Y241-R245 PolarHBondContact O-N 2.79Å |
| 242 | L | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.8 | -70 | -177.7 | 0 | 0 | 0 | 112.1 | V208 F238 D239 R245 G246 | V208-L242 HydrophobicContact CG2-CB 3.68Å; V208-L242 HydrophobicContact CG2-CD1 3.82Å; V208-L242 HydrophobicContact CG2-CG 4.42Å; F238-L242 HydrophobicContact CD1-CD1 4.03Å; F238-L242 HydrophobicContact CD1-CG 4.35Å; F238-L242 HydrophobicContact CE1-CD1 3.59Å; F238-L242 HydrophobicContact CE1-CD2 4.49Å; F238-L242 HydrophobicContact CE1-CG 4.04Å; F238-L242 HydrophobicContact CZ-CD1 4.36Å; F238-L242 HydrophobicContact CZ-CG 4.49Å; F238-L242 PolarHBondContact O-N 3.2Å; D239-L242 PolarHBondContact O-N 3.49Å; L242-R245 WeakPolarHBondContact O-CB 3.38Å; L242-R245 PolarHBondContact O-N 2.94Å; L242-G246 PolarHBondContact O-N 3.43Å |
| 243 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175 | 175 | 0 | 0 | 0 | 0 | 110.9 | L60 V198 I202 N203 V208 M210 D239 Y241 R245 G246 I247 | L60-V243 HydrophobicContact CD1-CB 4.23Å; L60-V243 HydrophobicContact CD1-CG1 3.68Å; L60-V243 HydrophobicContact CD2-CB 4.05Å; L60-V243 HydrophobicContact CD2-CG1 4.05Å; V198-V243 HydrophobicContact CG1-CB 4.21Å; V198-V243 HydrophobicContact CG1-CG1 3.37Å; V198-V243 HydrophobicContact CG1-CG2 3.71Å; I202-V243 HydrophobicContact CG2-CG1 4.08Å; N203-V243 HydrophobicContact CB-CG2 4.11Å; V208-V243 HydrophobicContact CB-CG2 4.13Å; V208-V243 HydrophobicContact CG1-CG2 3.68Å; V208-V243 HydrophobicContact CG2-CG2 4.32Å; M210-V243 HydrophobicContact CE-CG2 3.79Å; M210-V243 HydrophobicContact SD-CB 4.45Å; M210-V243 HydrophobicContact SD-CG2 3.94Å; D239-V243 WeakPolarHBondContact O-CG2 3.46Å; D239-V243 PolarHBondContact O-N 3.29Å; Y241-V243 PolarHBondContact O-N 2.99Å; V243-R245 PolarHBondContact O-N 3.32Å; V243-G246 CarbonylContact O-C 3.57Å; V243-G246 WeakPolarHBondContact O-CA 3.36Å; V243-G246 PolarHBondContact O-N 2.96Å; V243-I247 HydrophobicContact CG1-CD1 4.03Å; V243-I247 HydrophobicContact CG1-CG1 4.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 3.02Å |
| 244 | N | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -33.7 | 179.4 | -166.8 | 20.5 | 0 | 0 | 0 | 111.3 | Q16 L60 C240 Y241 K248 | Q16-N244 VanDerWaalsContact NE2-CG 3.34Å; Q16-N244 PolarHBondContact NE2-ND2 3.16Å; Q16-N244 PolarHBondContact NE2-OD1 3.33Å; Q16-N244 PolarHBondContact OE1-ND2 2.98Å; L60-N244 HydrophobicContact CB-CB 4.47Å; L60-N244 HydrophobicContact CD1-CB 4.09Å; C240-N244 VanDerWaalsContact O-CB 3.24Å; C240-N244 WeakPolarHBondContact O-CB 3.46Å; C240-N244 PolarHBondContact O-N 2.89Å; Y241-N244 PolarHBondContact O-N 3.32Å; N244-K248 WeakPolarHBondContact O-CG 3.13Å |
| 245 | R | 98.6 | Very high | 98.4 | Very high | 157 Ų | 157 | 38.9 Ų | 38.9 | 59% | 0.592 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.2 | -44.6 | 169.1 | -178.7 | -177.1 | -176.1 | -107 | 0.1 | 111.9 | Y241 L242 V243 K248 | Y241-R245 PolarHBondContact O-N 2.79Å; L242-R245 WeakPolarHBondContact O-CB 3.38Å; L242-R245 PolarHBondContact O-N 2.94Å; V243-R245 PolarHBondContact O-N 3.32Å; R245-K248 WeakPolarHBondContact O-CB 3.35Å; R245-K248 WeakPolarHBondContact O-CG 2.89Å; R245-K248 PolarHBondContact O-N 3.45Å |
| 246 | G | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -33.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N203 L242 V243 K248 T249 R253 | N203-G246 WeakPolarHBondContact O-CA 3.34Å; L242-G246 PolarHBondContact O-N 3.43Å; V243-G246 CarbonylContact O-C 3.57Å; V243-G246 WeakPolarHBondContact O-CA 3.36Å; V243-G246 PolarHBondContact O-N 2.96Å; G246-K248 PolarHBondContact O-N 3Å; G246-T249 PolarHBondContact O-N 3.05Å; G246-T249 PolarHBondContact O-OG1 3.04Å; G246-R253 PolarHBondContact O-NH2 3.1Å |
| 247 | I | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 177.6 | -75.9 | 172.9 | 0 | 0 | 0 | 111.9 | A11 L60 I64 L67 I202 V243 T249 L250 | A11-I247 HydrophobicContact CB-CG2 3.98Å; L60-I247 HydrophobicContact CD1-CD1 3.48Å; L60-I247 VanDerWaalsContact CD1-CD1 3.48Å; I64-I247 HydrophobicContact CD1-CD1 4.2Å; I64-I247 HydrophobicContact CG1-CD1 3.63Å; L67-I247 HydrophobicContact CD1-CG2 3.59Å; I202-I247 HydrophobicContact CG2-CD1 3.78Å; I202-I247 HydrophobicContact CG2-CG1 3.65Å; V243-I247 HydrophobicContact CG1-CD1 4.03Å; V243-I247 HydrophobicContact CG1-CG1 4.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 3.02Å; I247-T249 PolarHBondContact O-N 3.32Å; I247-L250 WeakPolarHBondContact O-CB 3.29Å; I247-L250 PolarHBondContact O-N 3.2Å |
| 248 | K | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 19% | 0.191 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -29.2 | 179.9 | -56.4 | -65.1 | 158.9 | 87.8 | 0 | 113 | A11 L12 N244 R245 G246 H251 | A11-K248 VanDerWaalsContact O-CD 3.23Å; A11-K248 WeakPolarHBondContact O-CD 3.32Å; A11-K248 VanDerWaalsContact O-CE 3.25Å; A11-K248 WeakPolarHBondContact O-CE 2.95Å; L12-K248 HydrophobicContact CD2-CB 3.83Å; L12-K248 HydrophobicContact CD2-CD 3.73Å; L12-K248 HydrophobicContact CD2-CG 4.33Å; L12-K248 PolarHBondContact O-NZ 3.37Å; N244-K248 WeakPolarHBondContact O-CG 3.13Å; R245-K248 WeakPolarHBondContact O-CB 3.35Å; R245-K248 WeakPolarHBondContact O-CG 2.89Å; R245-K248 PolarHBondContact O-N 3.45Å; G246-K248 PolarHBondContact O-N 3Å; K248-H251 PolarHBondContact O-CE1 3.18Å; K248-H251 PolarHBondContact O-ND1 2.84Å |
| 249 | T | 98.4 | Very high | 98.2 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 31% | 0.313 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 3 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | G246 I247 H251 L252 R253 | G246-T249 PolarHBondContact O-N 3.05Å; G246-T249 PolarHBondContact O-OG1 3.04Å; I247-T249 PolarHBondContact O-N 3.32Å; T249-H251 VanDerWaalsContact C-N 3.35Å; T249-H251 PolarHBondContact O-N 2.92Å; T249-L252 PolarHBondContact O-N 3.12Å; T249-R253 WeakPolarHBondContact O-CG 3.33Å; T249-R253 PolarHBondContact O-N 2.95Å; T249-R253 WeakPolarHBondContact OG1-CD 3.34Å; T249-R253 PolarHBondContact OG1-NE 3.03Å |
| 250 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.2 | -49.5 | -174.9 | -179.4 | 62.4 | 0 | 0 | 0 | 112.3 | F7 L67 P181 Y201 I247 L252 R253 M254 | F7-L250 HydrophobicContact CE1-CD2 4.1Å; F7-L250 HydrophobicContact CE1-CG 4.42Å; F7-L250 HydrophobicContact CZ-CD2 3.85Å; L67-L250 HydrophobicContact CD1-CD2 4.34Å; P181-L250 HydrophobicContact CG-CD2 4.25Å; Y201-L250 VanDerWaalsContact O-CD1 3.26Å; Y201-L250 WeakPolarHBondContact O-CD1 3.48Å; I247-L250 WeakPolarHBondContact O-CB 3.29Å; I247-L250 PolarHBondContact O-N 3.2Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.28Å; L250-R253 PolarHBondContact O-N 3.13Å; L250-M254 HydrophobicContact CD1-CG 3.63Å; L250-M254 HydrophobicContact CD1-SD 4.03Å; L250-M254 HydrophobicContact CG-CG 4.15Å; L250-M254 WeakPolarHBondContact O-CB 3.49Å; L250-M254 VanDerWaalsContact O-CG 3.24Å; L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 3.18Å |
| 251 | H | 98.1 | Very high | 98 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 12% | 0.12 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -25.4 | 179.5 | 66.2 | -77.5 | 0 | 0 | 0 | 114.1 | F7 A8 Y182 K248 T249 R255 | F7-H251 HydrophobicContact CD1-CB 4.12Å; F7-H251 HydrophobicContact CE1-CB 4.35Å; A8-H251 HydrophobicContact CB-CB 4.29Å; Y182-H251 HydrophobicContact CD2-CB 4.08Å; Y182-H251 HydrophobicContact CE2-CB 3.67Å; K248-H251 PolarHBondContact O-CE1 3.18Å; K248-H251 PolarHBondContact O-ND1 2.84Å; T249-H251 VanDerWaalsContact C-N 3.35Å; T249-H251 PolarHBondContact O-N 2.92Å; H251-R255 WeakPolarHBondContact O-CG 3.49Å; H251-R255 PolarHBondContact O-NE 3.13Å |
| 252 | L | 98.2 | Very high | 98 | Very high | 85 Ų | 85 | 37.7 Ų | 37.7 | 45% | 0.445 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -79.3 | -50 | 173.6 | -57.5 | -177.3 | 0 | 0 | 0 | 110.2 | T249 L250 M254 R255 A256 | T249-L252 PolarHBondContact O-N 3.12Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.28Å; L252-M254 PolarHBondContact O-N 2.81Å; L252-R255 PolarHBondContact O-N 2.71Å; L252-A256 PolarHBondContact O-N 3.41Å |
| 253 | R | 98.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | -179.2 | -66.7 | -174.8 | -70.8 | 100.1 | -8.8 | 111.6 | Y201 I202 G246 T249 L250 R255 A256 H257 L385 | Y201-R253 PolarHBondContact O-NH1 3.43Å; Y201-R253 PolarHBondContact O-NH2 2.96Å; Y201-R253 VanDerWaalsContact O-NH2 3.12Å; I202-R253 PolarHBondContact O-NH2 3.32Å; G246-R253 PolarHBondContact O-NH2 3.1Å; T249-R253 WeakPolarHBondContact O-CG 3.33Å; T249-R253 PolarHBondContact O-N 2.95Å; T249-R253 WeakPolarHBondContact OG1-CD 3.34Å; T249-R253 PolarHBondContact OG1-NE 3.03Å; L250-R253 PolarHBondContact O-N 3.13Å; R253-R255 VanDerWaalsContact C-N 3.32Å; R253-R255 PolarHBondContact O-N 3.45Å; R253-A256 PolarHBondContact O-N 3.12Å; R253-H257 WeakPolarHBondContact O-CB 3.45Å; R253-H257 PolarHBondContact O-CD2 3.29Å; R253-H257 PolarHBondContact O-N 3.14Å; R253-L385 HydrophobicContact CB-CD1 4.13Å; R253-L385 HydrophobicContact CB-CD2 4.24Å; R253-L385 HydrophobicContact CG-CD1 3.7Å; R253-L385 WeakPolarHBondContact O-CD2 3.35Å |
| 254 | M | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -33.8 | -179.3 | -66.9 | -48.5 | -65.1 | 0 | 0 | 112.8 | Y182 F183 Y201 L250 L252 H257 E258 | Y182-M254 HydrophobicContact CD1-CB 3.41Å; Y182-M254 VanDerWaalsContact CD1-CB 3.41Å; Y182-M254 HydrophobicContact CD1-CG 4.09Å; Y182-M254 HydrophobicContact CE1-CB 3.97Å; Y182-M254 HydrophobicContact CG-CB 4.11Å; Y182-M254 HydrophobicContact CG-CG 4.36Å; F183-M254 HydrophobicContact CD2-CB 4.45Å; F183-M254 HydrophobicContact CD2-CE 3.6Å; F183-M254 HydrophobicContact CE2-CB 3.73Å; F183-M254 HydrophobicContact CE2-CE 3.51Å; F183-M254 HydrophobicContact CE2-CG 4.45Å; F183-M254 HydrophobicContact CZ-CB 3.92Å; F183-M254 WeakPolarHBondContact CZ-O 3.32Å; Y201-M254 HydrophobicContact CD1-CE 3.96Å; Y201-M254 HydrophobicContact CD1-SD 3.44Å; Y201-M254 WeakPolarHBondContact CD1-SD 3.42Å; Y201-M254 HydrophobicContact CD2-CE 4.14Å; Y201-M254 HydrophobicContact CD2-SD 4.45Å; Y201-M254 HydrophobicContact CE1-CE 4.25Å; Y201-M254 HydrophobicContact CE1-SD 4.14Å; Y201-M254 HydrophobicContact CE2-CE 4.41Å; Y201-M254 HydrophobicContact CG-CE 3.91Å; Y201-M254 HydrophobicContact CG-SD 3.63Å; L250-M254 HydrophobicContact CD1-CG 3.63Å; L250-M254 HydrophobicContact CD1-SD 4.03Å; L250-M254 HydrophobicContact CG-CG 4.15Å; L250-M254 WeakPolarHBondContact O-CB 3.49Å; L250-M254 VanDerWaalsContact O-CG 3.24Å; L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 3.18Å; L252-M254 PolarHBondContact O-N 2.81Å; M254-H257 PolarHBondContact O-N 3.35Å; M254-E258 WeakPolarHBondContact O-CB 3.41Å; M254-E258 PolarHBondContact O-N 3.48Å |
| 255 | R | 97.7 | Very high | 97.8 | Very high | 113 Ų | 113 | 38.8 Ų | 38.8 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65 | -45 | 173 | -73.8 | -171.7 | -63.7 | 161.6 | 0.1 | 112.2 | Y182 H251 L252 R253 E258 E259 | Y182-R255 HydrophobicContact CE1-CG 4.11Å; H251-R255 WeakPolarHBondContact O-CG 3.49Å; H251-R255 PolarHBondContact O-NE 3.13Å; L252-R255 PolarHBondContact O-N 2.71Å; R253-R255 VanDerWaalsContact C-N 3.32Å; R253-R255 PolarHBondContact O-N 3.45Å; R255-E258 WeakPolarHBondContact O-CB 3.48Å; R255-E258 PolarHBondContact O-N 3.35Å; R255-E259 PolarHBondContact O-N 2.97Å |
| 256 | A | 97 | Very high | 97.8 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 26% | 0.256 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L252 R253 E258 E259 N260 L385 | L252-A256 PolarHBondContact O-N 3.41Å; R253-A256 PolarHBondContact O-N 3.12Å; A256-E258 VanDerWaalsContact C-N 3.33Å; A256-E258 PolarHBondContact O-N 2.65Å; A256-E259 PolarHBondContact O-N 2.76Å; A256-N260 WeakPolarHBondContact O-CB 2.96Å; A256-N260 PolarHBondContact O-N 3.37Å; A256-L385 HydrophobicContact CB-CD2 3.66Å |
| 257 | H | 97.2 | Very high | 97.8 | Very high | 17 Ų | 17 | 39 Ų | 39 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 171.4 | -75.4 | -55.8 | 0 | 0 | 0 | 112.7 | Y201 R253 M254 G261 G300 V383 G384 | Y201-H257 AromaticContact CD1-CD2 3.79Å; Y201-H257 AromaticContact CD1-NE2 3.79Å; Y201-H257 AromaticContact CE1-CD2 3.54Å; Y201-H257 AromaticContact CE1-CE1 3.94Å; Y201-H257 AromaticContact CE1-CG 3.88Å; Y201-H257 AromaticContact CE1-NE2 3.6Å; R253-H257 WeakPolarHBondContact O-CB 3.45Å; R253-H257 PolarHBondContact O-CD2 3.29Å; R253-H257 PolarHBondContact O-N 3.14Å; M254-H257 PolarHBondContact O-N 3.35Å; H257-G261 WeakPolarHBondContact O-CA 3.46Å; H257-G261 PolarHBondContact O-N 2.94Å; H257-G300 WeakPolarHBondContact O-CA 3.29Å; H257-V383 PolarHBondContact CE1-O 3.07Å; H257-V383 PolarHBondContact ND1-O 3.07Å; H257-G384 PolarHBondContact ND1-O 2.87Å |
| 258 | E | 98 | Very high | 97.8 | Very high | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -51.3 | 175.8 | 177 | 169.3 | -133.4 | 0 | 0 | 111.2 | F183 M254 R255 A256 G261 F262 G297 T298 | F183-E258 HydrophobicContact CE2-CB 4.44Å; F183-E258 HydrophobicContact CZ-CB 3.88Å; F183-E258 HydrophobicContact CZ-CG 4.47Å; M254-E258 WeakPolarHBondContact O-CB 3.41Å; M254-E258 PolarHBondContact O-N 3.48Å; R255-E258 WeakPolarHBondContact O-CB 3.48Å; R255-E258 PolarHBondContact O-N 3.35Å; A256-E258 VanDerWaalsContact C-N 3.33Å; A256-E258 PolarHBondContact O-N 2.65Å; E258-G261 PolarHBondContact O-N 2.96Å; E258-F262 HydrophobicContact CG-CD2 3.99Å; E258-F262 HydrophobicContact CG-CE2 3.93Å; E258-F262 VanDerWaalsContact O-CD2 3.3Å; E258-F262 WeakPolarHBondContact O-CD2 3.4Å; E258-F262 PolarHBondContact O-N 2.9Å; E258-G297 WeakPolarHBondContact OE1-CA 3.08Å; E258-T298 WeakPolarHBondContact CA-O 3.41Å; E258-T298 VanDerWaalsContact CB-O 3.25Å; E258-T298 WeakPolarHBondContact CB-O 3.37Å; E258-T298 HydrophobicContact CG-CG2 4.05Å; E258-T298 PolarHBondContact OE1-N 2.8Å |
| 259 | E | 97.9 | Very high | 97.7 | Very high | 127 Ų | 127 | 41 Ų | 41 | 59% | 0.593 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.9 | -53.8 | 178.2 | -177.8 | 173.1 | -176 | 0 | 0 | 111.6 | R255 A256 G261 F262 E263 | R255-E259 PolarHBondContact O-N 2.97Å; A256-E259 PolarHBondContact O-N 2.76Å; E259-G261 VanDerWaalsContact C-N 3.31Å; E259-G261 PolarHBondContact O-N 3.43Å; E259-F262 PolarHBondContact O-N 3.45Å; E259-E263 PolarHBondContact O-N 3.12Å |
| 260 | N | 96.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 178.4 | -71.5 | -3.3 | 0 | 0 | 0 | 111.9 | A256 F262 E263 V264 V383 G384 E386 P388 L391 | A256-N260 WeakPolarHBondContact O-CB 2.96Å; A256-N260 PolarHBondContact O-N 3.37Å; N260-F262 VanDerWaalsContact C-N 3.34Å; N260-F262 PolarHBondContact O-N 3.07Å; N260-E263 PolarHBondContact O-N 2.71Å; N260-V264 WeakPolarHBondContact O-CB 3.46Å; N260-V264 WeakPolarHBondContact O-CG2 3.27Å; N260-V264 PolarHBondContact O-N 2.86Å; N260-V383 HydrophobicContact CB-CG1 3.52Å; N260-G384 PolarHBondContact ND2-O 3.41Å; N260-E386 PolarHBondContact ND2-O 2.97Å; N260-P388 WeakPolarHBondContact OD1-CG 3.41Å; N260-L391 HydrophobicContact CB-CD1 4.14Å |
| 261 | G | 96.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | H257 E258 E259 A265 | H257-G261 WeakPolarHBondContact O-CA 3.46Å; H257-G261 PolarHBondContact O-N 2.94Å; E258-G261 PolarHBondContact O-N 2.96Å; E259-G261 VanDerWaalsContact C-N 3.31Å; E259-G261 PolarHBondContact O-N 3.43Å; G261-A265 WeakPolarHBondContact O-CB 3.32Å; G261-A265 PolarHBondContact O-N 3Å |
| 262 | F | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174.2 | -87.7 | -70.1 | 0 | 0 | 0 | 112.9 | E258 E259 N260 A265 R266 F279 G281 L282 T298 | E258-F262 HydrophobicContact CG-CD2 3.99Å; E258-F262 HydrophobicContact CG-CE2 3.93Å; E258-F262 VanDerWaalsContact O-CD2 3.3Å; E258-F262 WeakPolarHBondContact O-CD2 3.4Å; E258-F262 PolarHBondContact O-N 2.9Å; E259-F262 PolarHBondContact O-N 3.45Å; N260-F262 VanDerWaalsContact C-N 3.34Å; N260-F262 PolarHBondContact O-N 3.07Å; F262-A265 PolarHBondContact O-N 3.27Å; F262-R266 WeakPolarHBondContact O-CB 3.12Å; F262-R266 WeakPolarHBondContact O-CD 3.34Å; F262-R266 WeakPolarHBondContact O-CG 3.47Å; F262-R266 PolarHBondContact O-N 3.07Å; F262-F279 HydrophobicContact CD1-CD1 4.47Å; F262-F279 AromaticContact CD1-CE1 3.83Å; F262-F279 HydrophobicContact CD1-CE1 3.83Å; F262-F279 HydrophobicContact CD2-CE1 4.28Å; F262-F279 HydrophobicContact CE1-CD1 4.49Å; F262-F279 AromaticContact CE1-CE1 3.93Å; F262-F279 HydrophobicContact CE1-CE1 3.93Å; F262-F279 HydrophobicContact CE2-CE1 4.37Å; F262-F279 HydrophobicContact CG-CE1 4.01Å; F262-F279 HydrophobicContact CZ-CE1 4.2Å; F262-G281 VanDerWaalsContact CE1-O 3.31Å; F262-G281 WeakPolarHBondContact CE1-O 3.45Å; F262-L282 HydrophobicContact CD1-CD2 4.33Å; F262-T298 HydrophobicContact CD2-CG2 4.2Å; F262-T298 HydrophobicContact CE2-CG2 3.56Å; F262-T298 HydrophobicContact CZ-CG2 3.97Å |
| 263 | E | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 178.3 | -76.1 | -59.9 | 115.8 | 0 | 0 | 111.6 | E259 N260 R266 F267 P388 K392 | E259-E263 PolarHBondContact O-N 3.12Å; N260-E263 PolarHBondContact O-N 2.71Å; E263-R266 IonicContact OE1-NH1 2.75Å; E263-F267 VanDerWaalsContact O-CB 3.26Å; E263-F267 WeakPolarHBondContact O-CB 3.46Å; E263-F267 PolarHBondContact O-N 2.66Å; E263-P388 HydrophobicContact CB-CB 4.3Å; E263-P388 HydrophobicContact CG-CB 4.16Å; E263-K392 IonicContact OE2-NZ 2.74Å; E263-K392 PolarHBondContact OE2-NZ 2.89Å |
| 264 | V | 96.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | N260 R266 F267 L268 V302 L381 V383 L391 L395 | N260-V264 WeakPolarHBondContact O-CB 3.46Å; N260-V264 WeakPolarHBondContact O-CG2 3.27Å; N260-V264 PolarHBondContact O-N 2.86Å; V264-R266 PolarHBondContact O-N 3.03Å; V264-F267 PolarHBondContact O-N 3.26Å; V264-L268 HydrophobicContact CG1-CD1 3.67Å; V264-L268 HydrophobicContact CG1-CG 4.28Å; V264-L268 WeakPolarHBondContact O-CB 3.19Å; V264-L268 VanDerWaalsContact O-CG 3.27Å; V264-L268 WeakPolarHBondContact O-CG 3.26Å; V264-L268 PolarHBondContact O-N 3.45Å; V264-V302 HydrophobicContact CG1-CG2 4.46Å; V264-L381 HydrophobicContact CG1-CD1 3.88Å; V264-V383 HydrophobicContact CB-CG2 4.03Å; V264-V383 HydrophobicContact CG1-CG2 3.93Å; V264-V383 HydrophobicContact CG2-CG1 3.88Å; V264-V383 HydrophobicContact CG2-CG2 4.1Å; V264-L391 HydrophobicContact CG2-CB 4.28Å; V264-L395 HydrophobicContact CB-CD1 4.32Å; V264-L395 HydrophobicContact CG1-CD1 3.61Å; V264-L395 HydrophobicContact CG2-CD1 3.96Å |
| 265 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G261 F262 L268 E269 V277 F279 L282 V302 | G261-A265 WeakPolarHBondContact O-CB 3.32Å; G261-A265 PolarHBondContact O-N 3Å; F262-A265 PolarHBondContact O-N 3.27Å; A265-L268 PolarHBondContact O-N 2.95Å; A265-E269 WeakPolarHBondContact O-CB 3.48Å; A265-E269 PolarHBondContact O-N 3.44Å; A265-V277 HydrophobicContact CB-CG1 4.16Å; A265-F279 HydrophobicContact CB-CB 3.86Å; A265-F279 HydrophobicContact CB-CD1 3.77Å; A265-F279 HydrophobicContact CB-CD2 4.41Å; A265-F279 HydrophobicContact CB-CE1 4.34Å; A265-F279 HydrophobicContact CB-CG 3.77Å; A265-L282 HydrophobicContact CB-CD1 3.98Å; A265-L282 HydrophobicContact CB-CD2 4.49Å; A265-L282 HydrophobicContact CB-CG 4.25Å; A265-V302 HydrophobicContact CB-CG1 4.2Å; A265-V302 HydrophobicContact CB-CG2 4.35Å |
| 266 | R | 98.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.1 | -37.4 | 177.1 | -70 | 170.7 | -176.1 | 153.1 | 2.9 | 112.6 | F262 E263 V264 K270 L282 | F262-R266 WeakPolarHBondContact O-CB 3.12Å; F262-R266 WeakPolarHBondContact O-CD 3.34Å; F262-R266 WeakPolarHBondContact O-CG 3.47Å; F262-R266 PolarHBondContact O-N 3.07Å; E263-R266 IonicContact OE1-NH1 2.75Å; V264-R266 PolarHBondContact O-N 3.03Å; R266-K270 WeakPolarHBondContact O-CG 3.38Å; R266-K270 PolarHBondContact O-N 3.13Å; R266-L282 HydrophobicContact CG-CD2 3.92Å |
| 267 | F | 98.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 21% | 0.211 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -50.6 | 173.7 | 169.1 | -97.8 | 0 | 0 | 0 | 110.5 | E263 V264 E269 K270 H271 K392 L395 D396 L399 | E263-F267 VanDerWaalsContact O-CB 3.26Å; E263-F267 WeakPolarHBondContact O-CB 3.46Å; E263-F267 PolarHBondContact O-N 2.66Å; V264-F267 PolarHBondContact O-N 3.26Å; F267-E269 PolarHBondContact O-N 3.47Å; F267-K270 PolarHBondContact O-N 2.97Å; F267-H271 AromaticContact CZ-CD2 3.68Å; F267-H271 PolarHBondContact O-N 3.42Å; F267-K392 HydrophobicContact CB-CD 4Å; F267-K392 HydrophobicContact CB-CG 3.97Å; F267-K392 HydrophobicContact CD1-CG 4.46Å; F267-K392 HydrophobicContact CD2-CB 4.32Å; F267-K392 HydrophobicContact CD2-CD 4.32Å; F267-K392 HydrophobicContact CD2-CG 4.24Å; F267-K392 HydrophobicContact CG-CB 4.36Å; F267-K392 HydrophobicContact CG-CD 4.27Å; F267-K392 HydrophobicContact CG-CG 3.95Å; F267-L395 HydrophobicContact CD1-CB 4.36Å; F267-L395 HydrophobicContact CD1-CD1 4.4Å; F267-L395 HydrophobicContact CE1-CB 3.85Å; F267-D396 HydrophobicContact CE1-CB 4.5Å; F267-D396 HydrophobicContact CE2-CB 4.37Å; F267-D396 HydrophobicContact CZ-CB 3.66Å; F267-L399 HydrophobicContact CE1-CD1 4.23Å |
| 268 | L | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 179.7 | -69.1 | 171.5 | 0 | 0 | 0 | 112.1 | V264 A265 K270 H271 V274 V277 V302 F304 L381 L399 | V264-L268 HydrophobicContact CG1-CD1 3.67Å; V264-L268 HydrophobicContact CG1-CG 4.28Å; V264-L268 WeakPolarHBondContact O-CB 3.19Å; V264-L268 VanDerWaalsContact O-CG 3.27Å; V264-L268 WeakPolarHBondContact O-CG 3.26Å; V264-L268 PolarHBondContact O-N 3.45Å; A265-L268 PolarHBondContact O-N 2.95Å; L268-K270 PolarHBondContact O-N 3.37Å; L268-H271 PolarHBondContact O-N 3.34Å; L268-V274 HydrophobicContact CB-CG2 4.31Å; L268-V274 HydrophobicContact CD2-CG2 3.91Å; L268-V274 VanDerWaalsContact O-CB 3.25Å; L268-V274 WeakPolarHBondContact O-CB 3.38Å; L268-V274 WeakPolarHBondContact O-CG1 3.47Å; L268-V277 HydrophobicContact CB-CG2 3.6Å; L268-V302 HydrophobicContact CD1-CG1 4.16Å; L268-F304 HydrophobicContact CD1-CD1 3.8Å; L268-F304 HydrophobicContact CD1-CE1 4.11Å; L268-F304 HydrophobicContact CD1-CG 4.2Å; L268-F304 HydrophobicContact CD2-CE2 4.5Å; L268-F304 HydrophobicContact CD2-CZ 4.44Å; L268-L381 HydrophobicContact CD1-CD1 3.9Å; L268-L399 HydrophobicContact CD2-CD1 3.92Å |
| 269 | E | 97.5 | Very high | 97.4 | Very high | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -29 | -178.7 | -173.9 | 176 | -121.5 | 0 | 0 | 112.4 | A265 F267 V277 L282 S284 | A265-E269 WeakPolarHBondContact O-CB 3.48Å; A265-E269 PolarHBondContact O-N 3.44Å; F267-E269 PolarHBondContact O-N 3.47Å; E269-V277 HydrophobicContact CB-CB 4.41Å; E269-V277 HydrophobicContact CB-CG2 4.05Å; E269-L282 HydrophobicContact CB-CD1 4.36Å; E269-S284 WeakPolarHBondContact OE1-CB 3.32Å; E269-S284 PolarHBondContact OE1-OG 3.22Å |
| 270 | K | 97.5 | Very high | 97.4 | Very high | 176 Ų | 176 | 42 Ų | 42 | 77% | 0.765 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -91.8 | -10.2 | 177.5 | -65.4 | 175.7 | -176.2 | 176.3 | 0 | 113.5 | R266 F267 L268 | R266-K270 WeakPolarHBondContact O-CG 3.38Å; R266-K270 PolarHBondContact O-N 3.13Å; F267-K270 PolarHBondContact O-N 2.97Å; L268-K270 PolarHBondContact O-N 3.37Å |
| 271 | H | 97.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | trans | -79.7 | 128.9 | -171.2 | -167.7 | -78.9 | 0 | 0 | 0 | 111.3 | F267 L268 L273 V274 D396 L399 | F267-H271 AromaticContact CZ-CD2 3.68Å; F267-H271 PolarHBondContact O-N 3.42Å; L268-H271 PolarHBondContact O-N 3.34Å; H271-L273 PolarHBondContact ND1-N 3.29Å; H271-L273 VanDerWaalsContact ND1-N 3.15Å; H271-L273 PolarHBondContact O-N 2.87Å; H271-L273 VanDerWaalsContact O-N 3.1Å; H271-V274 HydrophobicContact CB-CB 4.47Å; H271-V274 HydrophobicContact CB-CG2 4.03Å; H271-V274 PolarHBondContact O-N 3.5Å; H271-D396 IonicContact CD2-OD1 3.25Å; H271-D396 IonicContact NE2-OD1 2.85Å; H271-D396 PolarHBondContact NE2-OD1 2.99Å; H271-L399 HydrophobicContact CB-CD1 4.44Å | ||
| 272 | P | 96.9 | Very high | 97.5 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 61% | 0.61 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.9 | -172.8 | 24.1 | -34.9 | 0 | 0 | 0 | 114.3 | V274 R307 | P272-V274 VanDerWaalsContact C-N 3.34Å; P272-R307 WeakPolarHBondContact O-CD 3.46Å; P272-R307 PolarHBondContact O-NE 3.47Å |
| 273 | L | 96.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.3 | 176.9 | -59.6 | 177 | 0 | 0 | 0 | 114.4 | H271 R307 L399 Q403 | H271-L273 PolarHBondContact ND1-N 3.29Å; H271-L273 VanDerWaalsContact ND1-N 3.15Å; H271-L273 PolarHBondContact O-N 2.87Å; H271-L273 VanDerWaalsContact O-N 3.1Å; L273-R307 WeakPolarHBondContact O-CB 3.17Å; L273-R307 PolarHBondContact O-N 3.5Å; L273-L399 HydrophobicContact CB-CD2 4.26Å; L273-L399 HydrophobicContact CD1-CB 4.16Å; L273-L399 WeakPolarHBondContact CD1-O 3.41Å; L273-Q403 HydrophobicContact CD1-CG 3.57Å; L273-Q403 HydrophobicContact CD2-CG 3.81Å; L273-Q403 HydrophobicContact CG-CG 4.28Å |
| 274 | V | 96.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.1 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | L268 H271 P272 V277 F304 R307 L399 | L268-V274 HydrophobicContact CB-CG2 4.31Å; L268-V274 HydrophobicContact CD2-CG2 3.91Å; L268-V274 VanDerWaalsContact O-CB 3.25Å; L268-V274 WeakPolarHBondContact O-CB 3.38Å; L268-V274 WeakPolarHBondContact O-CG1 3.47Å; H271-V274 HydrophobicContact CB-CB 4.47Å; H271-V274 HydrophobicContact CB-CG2 4.03Å; H271-V274 PolarHBondContact O-N 3.5Å; P272-V274 VanDerWaalsContact C-N 3.34Å; V274-V277 HydrophobicContact CG1-CG2 3.85Å; V274-F304 HydrophobicContact CG1-CB 4.22Å; V274-F304 HydrophobicContact CG1-CD2 4.02Å; V274-F304 HydrophobicContact CG2-CD2 4.03Å; V274-F304 HydrophobicContact CG2-CE2 4.24Å; V274-R307 PolarHBondContact O-NE 3.33Å; V274-R307 PolarHBondContact O-NH2 2.88Å; V274-L399 HydrophobicContact CG2-CD1 4.25Å; V274-L399 HydrophobicContact CG2-CD2 4.2Å |
| 275 | E | 96.3 | Very high | 97.5 | Very high | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.7 | 178.6 | -178.8 | 177.6 | 176.2 | 0 | 0 | 110.9 | Y305 R307 N377 | E275-Y305 WeakPolarHBondContact CB-O 3.43Å; E275-Y305 PolarHBondContact N-O 3.15Å; E275-R307 HydrophobicContact CB-CG 4.06Å; E275-N377 PolarHBondContact OE2-ND2 3.22Å |
| 276 | S | 96.8 | Very high | 97.4 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 155.2 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | F304 Y305 | S276-F304 CarbonylContact O-C 3.53Å; S276-F304 VanDerWaalsContact O-CA 3.26Å; S276-F304 WeakPolarHBondContact O-CA 3.43Å; S276-F304 WeakPolarHBondContact O-CB 3.35Å; S276-Y305 PolarHBondContact O-N 3.21Å; S276-Y305 VanDerWaalsContact OG-CD2 3.29Å; S276-Y305 WeakPolarHBondContact OG-CD2 3.26Å |
| 277 | V | 97.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.9 | 176 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | A265 L268 E269 V274 F279 L282 V302 F304 | A265-V277 HydrophobicContact CB-CG1 4.16Å; L268-V277 HydrophobicContact CB-CG2 3.6Å; E269-V277 HydrophobicContact CB-CB 4.41Å; E269-V277 HydrophobicContact CB-CG2 4.05Å; V274-V277 HydrophobicContact CG1-CG2 3.85Å; V277-F279 HydrophobicContact CG1-CB 4.22Å; V277-L282 HydrophobicContact CG1-CD1 4.17Å; V277-V302 HydrophobicContact CG1-CG1 4.09Å; V277-F304 HydrophobicContact CG2-CB 4.12Å |
| 278 | I | 97.7 | Very high | 97.4 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 107.7 | 171.5 | -44 | 175.5 | 0 | 0 | 0 | 106.8 | L151 L152 S303 Y305 L378 | L151-I278 HydrophobicContact CD2-CD1 4.22Å; L151-I278 VanDerWaalsContact O-CG2 3.27Å; L151-I278 WeakPolarHBondContact O-CG2 3.36Å; L152-I278 HydrophobicContact CB-CG2 3.99Å; L152-I278 HydrophobicContact CD1-CG2 4.49Å; L152-I278 WeakPolarHBondContact CD1-O 3.39Å; I278-S303 PolarHBondContact N-O 2.81Å; I278-S303 PolarHBondContact O-N 3.48Å; I278-S303 VanDerWaalsContact O-O 3.11Å; I278-Y305 HydrophobicContact CD1-CE2 3.81Å; I278-Y305 HydrophobicContact CG1-CE2 4.31Å; I278-L378 HydrophobicContact CD1-CD1 4.34Å |
| 279 | F | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -148.8 | 114.7 | 174.4 | -173.9 | -116.1 | 0 | 0 | 0 | 109.4 | F262 A265 V277 G281 L282 H285 T298 S299 M301 V302 | F262-F279 HydrophobicContact CD1-CD1 4.47Å; F262-F279 AromaticContact CD1-CE1 3.83Å; F262-F279 HydrophobicContact CD1-CE1 3.83Å; F262-F279 HydrophobicContact CD2-CE1 4.28Å; F262-F279 HydrophobicContact CE1-CD1 4.49Å; F262-F279 AromaticContact CE1-CE1 3.93Å; F262-F279 HydrophobicContact CE1-CE1 3.93Å; F262-F279 HydrophobicContact CE2-CE1 4.37Å; F262-F279 HydrophobicContact CG-CE1 4.01Å; F262-F279 HydrophobicContact CZ-CE1 4.2Å; A265-F279 HydrophobicContact CB-CB 3.86Å; A265-F279 HydrophobicContact CB-CD1 3.77Å; A265-F279 HydrophobicContact CB-CD2 4.41Å; A265-F279 HydrophobicContact CB-CE1 4.34Å; A265-F279 HydrophobicContact CB-CG 3.77Å; V277-F279 HydrophobicContact CG1-CB 4.22Å; F279-G281 PolarHBondContact O-N 3.4Å; F279-L282 HydrophobicContact CB-CD1 4.34Å; F279-L282 HydrophobicContact CB-CG 4.12Å; F279-L282 HydrophobicContact CD1-CD2 4.43Å; F279-L282 HydrophobicContact CD1-CG 3.94Å; F279-L282 PolarHBondContact O-N 3.27Å; F279-H285 WeakPolarHBondContact O-CB 3.1Å; F279-T298 HydrophobicContact CE1-CG2 3.66Å; F279-T298 HydrophobicContact CE2-CG2 4.21Å; F279-T298 HydrophobicContact CZ-CG2 3.33Å; F279-S299 VanDerWaalsContact CE2-O 3.28Å; F279-S299 WeakPolarHBondContact CE2-O 3.32Å; F279-M301 VanDerWaalsContact CD2-O 3.28Å; F279-M301 WeakPolarHBondContact CD2-O 3.33Å; F279-V302 HydrophobicContact CD2-CB 4.43Å; F279-V302 HydrophobicContact CD2-CG2 3.69Å; F279-V302 HydrophobicContact CE2-CG2 3.83Å; F279-V302 HydrophobicContact CG-CG2 4.5Å | ||
| 280 | P | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.3 | -175 | -29.5 | 36.8 | 0 | 0 | 0 | 114.9 | P147 L152 I154 H288 H291 | P147-P280 HydrophobicContact CB-CG 4.38Å; P147-P280 HydrophobicContact CG-CG 4.21Å; L152-P280 HydrophobicContact CB-CG 3.92Å; I154-P280 HydrophobicContact CD1-CB 3.94Å; I154-P280 HydrophobicContact CD1-CG 3.81Å; I154-P280 HydrophobicContact CG1-CB 4.37Å; I154-P280 HydrophobicContact CG1-CG 4.47Å; P280-H288 PolarHBondContact O-ND1 2.74Å; P280-H291 HydrophobicContact CB-CB 4.08Å; P280-H291 WeakPolarHBondContact CB-ND1 3.47Å |
| 281 | G | 97.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F262 F279 H288 | F262-G281 VanDerWaalsContact CE1-O 3.31Å; F262-G281 WeakPolarHBondContact CE1-O 3.45Å; F279-G281 PolarHBondContact O-N 3.4Å; G281-H288 PolarHBondContact O-CE1 3.49Å; G281-H288 PolarHBondContact O-ND1 3Å |
| 282 | L | 97.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -83.3 | 143.5 | 176.5 | -65 | -174.9 | 0 | 0 | 0 | 111.2 | F262 A265 R266 E269 V277 F279 S284 H285 H288 | F262-L282 HydrophobicContact CD1-CD2 4.33Å; A265-L282 HydrophobicContact CB-CD1 3.98Å; A265-L282 HydrophobicContact CB-CD2 4.49Å; A265-L282 HydrophobicContact CB-CG 4.25Å; R266-L282 HydrophobicContact CG-CD2 3.92Å; E269-L282 HydrophobicContact CB-CD1 4.36Å; V277-L282 HydrophobicContact CG1-CD1 4.17Å; F279-L282 HydrophobicContact CB-CD1 4.34Å; F279-L282 HydrophobicContact CB-CG 4.12Å; F279-L282 HydrophobicContact CD1-CD2 4.43Å; F279-L282 HydrophobicContact CD1-CG 3.94Å; F279-L282 PolarHBondContact O-N 3.27Å; L282-S284 WeakPolarHBondContact CB-OG 3.44Å; L282-S284 PolarHBondContact O-N 3.12Å; L282-H285 VanDerWaalsContact O-CB 3.29Å; L282-H285 WeakPolarHBondContact O-CB 3.08Å; L282-H285 PolarHBondContact O-N 3.03Å; L282-H288 WeakPolarHBondContact O-CB 3.29Å; L282-H288 PolarHBondContact O-ND1 2.85Å |
| 283 | S | 97.2 | Very high | 97.4 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 73% | 0.734 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17 | 174.7 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | H285 | S283-H285 VanDerWaalsContact C-N 3.26Š|
| 284 | S | 97.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.3 | 173.5 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | E269 L282 | E269-S284 WeakPolarHBondContact OE1-CB 3.32Å; E269-S284 PolarHBondContact OE1-OG 3.22Å; L282-S284 WeakPolarHBondContact CB-OG 3.44Å; L282-S284 PolarHBondContact O-N 3.12Å |
| 285 | H | 98 | Very high | 97.5 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.1 | 130.1 | 178.4 | -167.9 | -86.4 | 0 | 0 | 0 | 111.1 | L152 F279 L282 S283 Q287 H288 | L152-H285 PolarHBondContact O-CE1 3.35Å; L152-H285 PolarHBondContact O-NE2 2.9Å; F279-H285 WeakPolarHBondContact O-CB 3.1Å; L282-H285 VanDerWaalsContact O-CB 3.29Å; L282-H285 WeakPolarHBondContact O-CB 3.08Å; L282-H285 PolarHBondContact O-N 3.03Å; S283-H285 VanDerWaalsContact C-N 3.26Å; H285-Q287 PolarHBondContact CE1-OE1 3.18Å; H285-Q287 PolarHBondContact ND1-N 3.4Å; H285-Q287 PolarHBondContact ND1-OE1 3.12Å; H285-Q287 PolarHBondContact O-N 3.11Å; H285-H288 HydrophobicContact CB-CB 4.31Å; H285-H288 VanDerWaalsContact O-CB 3.31Å; H285-H288 WeakPolarHBondContact O-CB 3.24Å; H285-H288 PolarHBondContact O-N 3.4Å |
| 286 | P | 96.5 | Very high | 97.6 | Very high | 117 Ų | 117 | 43.1 Ų | 43.1 | 76% | 0.76 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31 | -173.9 | -25.9 | 34 | 0 | 0 | 0 | 114.4 | ||
| 287 | Q | 97.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 26 | 177.4 | -54.4 | 89.2 | -8.2 | 0 | 0 | 113.8 | I154 H285 E289 L290 H291 | I154-Q287 HydrophobicContact CB-CB 3.66Å; I154-Q287 HydrophobicContact CB-CG 4.25Å; I154-Q287 HydrophobicContact CG1-CB 3.91Å; H285-Q287 PolarHBondContact CE1-OE1 3.18Å; H285-Q287 PolarHBondContact ND1-N 3.4Å; H285-Q287 PolarHBondContact ND1-OE1 3.12Å; H285-Q287 PolarHBondContact O-N 3.11Å; Q287-E289 PolarHBondContact O-N 3.23Å; Q287-L290 HydrophobicContact CB-CB 4.4Å; Q287-L290 PolarHBondContact O-N 3.19Å; Q287-H291 PolarHBondContact O-N 3.05Å |
| 288 | H | 97.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.9 | -52.1 | -179.3 | 177.1 | 64 | 0 | 0 | 0 | 113 | P280 G281 L282 H285 L290 H291 V292 | P280-H288 PolarHBondContact O-ND1 2.74Å; G281-H288 PolarHBondContact O-CE1 3.49Å; G281-H288 PolarHBondContact O-ND1 3Å; L282-H288 WeakPolarHBondContact O-CB 3.29Å; L282-H288 PolarHBondContact O-ND1 2.85Å; H285-H288 HydrophobicContact CB-CB 4.31Å; H285-H288 VanDerWaalsContact O-CB 3.31Å; H285-H288 WeakPolarHBondContact O-CB 3.24Å; H285-H288 PolarHBondContact O-N 3.4Å; H288-L290 VanDerWaalsContact C-N 3.28Å; H288-L290 PolarHBondContact O-N 2.94Å; H288-H291 WeakPolarHBondContact O-CB 3.44Å; H288-H291 PolarHBondContact O-N 3.43Å; H288-H291 VanDerWaalsContact O-N 3.08Å; H288-V292 WeakPolarHBondContact O-CG2 3.24Å; H288-V292 PolarHBondContact O-N 3.25Å |
| 289 | E | 97.7 | Very high | 97.5 | Very high | 145 Ų | 145 | 39.6 Ų | 39.6 | 68% | 0.678 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.4 | -39.7 | -178.8 | -64.6 | -57.2 | 147.2 | 0 | 0 | 112.3 | Q287 K293 | Q287-E289 PolarHBondContact O-N 3.23Å; E289-K293 VanDerWaalsContact O-CB 3.28Å; E289-K293 WeakPolarHBondContact O-CB 3.41Å; E289-K293 PolarHBondContact O-N 3.08Å |
| 290 | L | 97.9 | Very high | 97.4 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.5 | 176.3 | 60.2 | 0 | 0 | 0 | 111.4 | I154 D156 Q287 H288 K293 Q294 | I154-L290 HydrophobicContact CB-CD2 4.38Å; I154-L290 HydrophobicContact CG2-CB 4.46Å; I154-L290 HydrophobicContact CG2-CD2 3.83Å; I154-L290 HydrophobicContact CG2-CG 3.85Å; D156-L290 HydrophobicContact CB-CD1 3.74Å; D156-L290 HydrophobicContact CB-CD2 3.92Å; D156-L290 HydrophobicContact CB-CG 4.46Å; D156-L290 WeakPolarHBondContact OD2-CD1 3.23Å; Q287-L290 HydrophobicContact CB-CB 4.4Å; Q287-L290 PolarHBondContact O-N 3.19Å; H288-L290 VanDerWaalsContact C-N 3.28Å; H288-L290 PolarHBondContact O-N 2.94Å; L290-K293 PolarHBondContact O-N 3.46Å; L290-Q294 WeakPolarHBondContact O-CG 3.16Å; L290-Q294 PolarHBondContact O-N 3.01Å |
| 291 | H | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.4 | -55.4 | 175.3 | -180 | 77.4 | 0 | 0 | 0 | 110.9 | I154 P280 Q287 H288 K293 Q294 T295 G297 T298 | I154-H291 HydrophobicContact CD1-CB 4.42Å; I154-H291 HydrophobicContact CG1-CB 4.2Å; P280-H291 HydrophobicContact CB-CB 4.08Å; P280-H291 WeakPolarHBondContact CB-ND1 3.47Å; Q287-H291 PolarHBondContact O-N 3.05Å; H288-H291 WeakPolarHBondContact O-CB 3.44Å; H288-H291 PolarHBondContact O-N 3.43Å; H288-H291 VanDerWaalsContact O-N 3.08Å; H291-K293 PolarHBondContact O-N 3.41Å; H291-K293 VanDerWaalsContact O-N 3.16Å; H291-Q294 PolarHBondContact O-N 2.99Å; H291-Q294 VanDerWaalsContact O-N 3.08Å; H291-T295 PolarHBondContact NE2-OG1 3.3Å; H291-T295 PolarHBondContact O-N 2.87Å; H291-T295 PolarHBondContact O-OG1 3.08Å; H291-G297 PolarHBondContact NE2-O 3.32Å; H291-T298 WeakPolarHBondContact NE2-CB 3.49Å |
| 292 | V | 97.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -34.1 | 179.7 | 174 | 0 | 0 | 0 | 0 | 112.5 | M1 H288 | M1-V292 PolarHBondContact N-O 3.04Å; H288-V292 WeakPolarHBondContact O-CG2 3.24Å; H288-V292 PolarHBondContact O-N 3.25Å |
| 293 | K | 96.9 | Very high | 97.1 | Very high | 145 Ų | 145 | 38.7 Ų | 38.7 | 63% | 0.63 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -69 | -37.3 | 178.5 | -177.1 | -176.8 | 174.2 | -166.4 | 0 | 113.2 | E289 L290 H291 | E289-K293 VanDerWaalsContact O-CB 3.28Å; E289-K293 WeakPolarHBondContact O-CB 3.41Å; E289-K293 PolarHBondContact O-N 3.08Å; L290-K293 PolarHBondContact O-N 3.46Å; H291-K293 PolarHBondContact O-N 3.41Å; H291-K293 VanDerWaalsContact O-N 3.16Å |
| 294 | Q | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -107.1 | -4.6 | -173.4 | 77.5 | -178.8 | -11 | 0 | 0 | 115.2 | V155 L189 L290 H291 | V155-Q294 PolarHBondContact O-NE2 3.12Å; V155-Q294 PolarHBondContact O-OE1 3.17Å; L189-Q294 HydrophobicContact CD1-CB 4.05Å; L189-Q294 HydrophobicContact CD2-CB 4.47Å; L290-Q294 WeakPolarHBondContact O-CG 3.16Å; L290-Q294 PolarHBondContact O-N 3.01Å; H291-Q294 PolarHBondContact O-N 2.99Å; H291-Q294 VanDerWaalsContact O-N 3.08Å |
| 295 | T | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | trans | -121 | 160 | 178.3 | 73 | 0 | 0 | 0 | 0 | 112.7 | M1 M179 F183 Q184 H291 G297 | M1-T295 WeakPolarHBondContact CB-O 3.28Å; M1-T295 PolarHBondContact N-O 3.43Å; M1-T295 VanDerWaalsContact N-O 3.14Å; M179-T295 HydrophobicContact CE-CG2 3.85Å; F183-T295 CarbonylContact O-C 3.58Å; F183-T295 WeakPolarHBondContact O-CA 3.39Å; F183-T295 VanDerWaalsContact O-CB 3.32Å; F183-T295 WeakPolarHBondContact O-CB 3.28Å; Q184-T295 HydrophobicContact CB-CG2 4.31Å; Q184-T295 HydrophobicContact CG-CG2 4.36Å; Q184-T295 VanDerWaalsContact OE1-CG2 3.31Å; H291-T295 PolarHBondContact NE2-OG1 3.3Å; H291-T295 PolarHBondContact O-N 2.87Å; H291-T295 PolarHBondContact O-OG1 3.08Å; T295-G297 WeakPolarHBondContact CB-O 3.14Å; T295-G297 PolarHBondContact OG1-O 3.01Å | ||
| 296 | T | 97.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 10% | 0.104 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -94.6 | -3.5 | 173.6 | 69.5 | 0 | 0 | 0 | 0 | 112.9 | M1 E2 F4 Y182 F183 | M1-T296 HydrophobicContact CB-CG2 4.06Å; M1-T296 HydrophobicContact CG-CG2 4.13Å; M1-T296 HydrophobicContact SD-CG2 3.96Å; E2-T296 WeakPolarHBondContact O-CG2 3.37Å; F4-T296 HydrophobicContact CD1-CG2 4.11Å; F4-T296 HydrophobicContact CD2-CG2 4.14Å; F4-T296 HydrophobicContact CE1-CG2 3.74Å; F4-T296 HydrophobicContact CE2-CG2 3.77Å; F4-T296 HydrophobicContact CG-CG2 4.3Å; F4-T296 HydrophobicContact CZ-CG2 3.55Å; Y182-T296 PolarHBondContact O-OG1 3.49Å; F183-T296 WeakPolarHBondContact CA-OG1 3.12Å; F183-T296 PolarHBondContact O-N 3.3Å |
| 297 | G | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 174 | -168.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M179 F183 E258 H291 T295 | M179-G297 WeakPolarHBondContact CE-O 3.35Å; F183-G297 VanDerWaalsContact CD1-CA 3.47Å; E258-G297 WeakPolarHBondContact OE1-CA 3.08Å; H291-G297 PolarHBondContact NE2-O 3.32Å; T295-G297 WeakPolarHBondContact CB-O 3.14Å; T295-G297 PolarHBondContact OG1-O 3.01Å |
| 298 | T | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | trans | -128.1 | 147 | 179 | -173 | 0 | 0 | 0 | 0 | 111.7 | F183 E258 F262 F279 H291 | F183-T298 WeakPolarHBondContact CE2-O 3.24Å; E258-T298 WeakPolarHBondContact CA-O 3.41Å; E258-T298 VanDerWaalsContact CB-O 3.25Å; E258-T298 WeakPolarHBondContact CB-O 3.37Å; E258-T298 HydrophobicContact CG-CG2 4.05Å; E258-T298 PolarHBondContact OE1-N 2.8Å; F262-T298 HydrophobicContact CD2-CG2 4.2Å; F262-T298 HydrophobicContact CE2-CG2 3.56Å; F262-T298 HydrophobicContact CZ-CG2 3.97Å; F279-T298 HydrophobicContact CE1-CG2 3.66Å; F279-T298 HydrophobicContact CE2-CG2 4.21Å; F279-T298 HydrophobicContact CZ-CG2 3.33Å; H291-T298 WeakPolarHBondContact NE2-CB 3.49Å | ||
| 299 | S | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -79.3 | 176.1 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | F178 F279 M301 | F178-S299 WeakPolarHBondContact O-CB 3.45Å; F178-S299 PolarHBondContact O-OG 3.39Å; F279-S299 VanDerWaalsContact CE2-O 3.28Å; F279-S299 WeakPolarHBondContact CE2-O 3.32Å; S299-M301 PolarHBondContact O-N 2.88Å | ||
| 300 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -78.2 | 13.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y201 H257 V302 V383 | Y201-G300 PolarHBondContact OH-N 3.17Å; H257-G300 WeakPolarHBondContact O-CA 3.29Å; G300-V302 PolarHBondContact O-N 2.74Å; G300-V383 VanDerWaalsContact O-CB 3.31Å; G300-V383 WeakPolarHBondContact O-CB 3.24Å; G300-V383 WeakPolarHBondContact O-CG2 3.43Å; G300-V383 PolarHBondContact O-N 3.27Å |
| 301 | M | 96.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 114.2 | 177.7 | -63.4 | -53.7 | -50.8 | 0 | 0 | 110.1 | L152 F178 Y201 F279 S299 R380 L381 | L152-M301 VanDerWaalsContact CD1-O 3.27Å; L152-M301 WeakPolarHBondContact CD1-O 3.09Å; L152-M301 HydrophobicContact CD2-CB 3.99Å; F178-M301 HydrophobicContact CD1-CG 4.21Å; F178-M301 HydrophobicContact CD2-CB 4.25Å; F178-M301 HydrophobicContact CD2-CG 3.93Å; F178-M301 HydrophobicContact CE1-CE 4.18Å; F178-M301 HydrophobicContact CE1-CG 4.35Å; F178-M301 HydrophobicContact CE1-SD 4.37Å; F178-M301 HydrophobicContact CE2-CB 4.34Å; F178-M301 HydrophobicContact CE2-CE 4.14Å; F178-M301 HydrophobicContact CE2-CG 4.09Å; F178-M301 HydrophobicContact CG-CG 3.99Å; F178-M301 HydrophobicContact CZ-CE 3.74Å; F178-M301 HydrophobicContact CZ-CG 4.29Å; F178-M301 HydrophobicContact CZ-SD 4.42Å; Y201-M301 HydrophobicContact CE2-CG 4.15Å; Y201-M301 HydrophobicContact CE2-SD 4.37Å; F279-M301 VanDerWaalsContact CD2-O 3.28Å; F279-M301 WeakPolarHBondContact CD2-O 3.33Å; S299-M301 PolarHBondContact O-N 2.88Å; M301-R380 HydrophobicContact CE-CG 3.81Å; M301-L381 WeakPolarHBondContact CE-O 3.47Å |
| 302 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.8 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | V264 A265 L268 V277 F279 G300 L381 V383 | V264-V302 HydrophobicContact CG1-CG2 4.46Å; A265-V302 HydrophobicContact CB-CG1 4.2Å; A265-V302 HydrophobicContact CB-CG2 4.35Å; L268-V302 HydrophobicContact CD1-CG1 4.16Å; V277-V302 HydrophobicContact CG1-CG1 4.09Å; F279-V302 HydrophobicContact CD2-CB 4.43Å; F279-V302 HydrophobicContact CD2-CG2 3.69Å; F279-V302 HydrophobicContact CE2-CG2 3.83Å; F279-V302 HydrophobicContact CG-CG2 4.5Å; G300-V302 PolarHBondContact O-N 2.74Å; V302-L381 HydrophobicContact CB-CB 4.39Å; V302-L381 PolarHBondContact N-O 3.16Å; V302-L381 PolarHBondContact O-N 3.39Å; V302-V383 HydrophobicContact CB-CG2 4.4Å; V302-V383 HydrophobicContact CG2-CG2 3.81Å |
| 303 | S | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.8 | 170.7 | -76.3 | 0 | 0 | 0 | 0 | 109.8 | P150 I278 I379 R380 | P150-S303 WeakPolarHBondContact O-CB 3.4Å; P150-S303 PolarHBondContact O-OG 3.22Å; I278-S303 PolarHBondContact N-O 2.81Å; I278-S303 PolarHBondContact O-N 3.48Å; I278-S303 VanDerWaalsContact O-O 3.11Å; S303-I379 CarbonylContact C-O 3.55Å; S303-I379 VanDerWaalsContact CA-O 3.26Å; S303-I379 WeakPolarHBondContact CA-O 3.06Å; S303-R380 WeakPolarHBondContact OG-CG 3.22Å |
| 304 | F | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156.6 | 174.9 | 71.8 | -81.5 | 0 | 0 | 0 | 111.3 | L268 V274 S276 V277 I306 F316 I379 L381 | L268-F304 HydrophobicContact CD1-CD1 3.8Å; L268-F304 HydrophobicContact CD1-CE1 4.11Å; L268-F304 HydrophobicContact CD1-CG 4.2Å; L268-F304 HydrophobicContact CD2-CE2 4.5Å; L268-F304 HydrophobicContact CD2-CZ 4.44Å; V274-F304 HydrophobicContact CG1-CB 4.22Å; V274-F304 HydrophobicContact CG1-CD2 4.02Å; V274-F304 HydrophobicContact CG2-CD2 4.03Å; V274-F304 HydrophobicContact CG2-CE2 4.24Å; S276-F304 CarbonylContact O-C 3.53Å; S276-F304 VanDerWaalsContact O-CA 3.26Å; S276-F304 WeakPolarHBondContact O-CA 3.43Å; S276-F304 WeakPolarHBondContact O-CB 3.35Å; V277-F304 HydrophobicContact CG2-CB 4.12Å; F304-I306 HydrophobicContact CE2-CB 4.01Å; F304-F316 HydrophobicContact CE1-CE1 4.41Å; F304-F316 HydrophobicContact CE1-CZ 4.38Å; F304-F316 HydrophobicContact CZ-CD1 4.44Å; F304-F316 AromaticContact CZ-CE1 3.8Å; F304-F316 HydrophobicContact CZ-CE1 3.8Å; F304-F316 HydrophobicContact CZ-CE2 4.33Å; F304-F316 AromaticContact CZ-CZ 3.73Å; F304-F316 HydrophobicContact CZ-CZ 3.73Å; F304-I379 HydrophobicContact CD1-CB 4.03Å; F304-I379 HydrophobicContact CD1-CG2 4.15Å; F304-I379 HydrophobicContact CE1-CB 3.58Å; F304-I379 HydrophobicContact CE1-CD1 4.21Å; F304-I379 HydrophobicContact CE1-CG2 3.38Å; F304-I379 HydrophobicContact CE2-CB 4.33Å; F304-I379 HydrophobicContact CE2-CD1 3.69Å; F304-I379 HydrophobicContact CZ-CB 3.76Å; F304-I379 HydrophobicContact CZ-CD1 3.46Å; F304-I379 VanDerWaalsContact CZ-CD1 3.46Å; F304-I379 HydrophobicContact CZ-CG1 4.22Å; F304-I379 HydrophobicContact CZ-CG2 3.76Å; F304-I379 PolarHBondContact N-O 3.35Å; F304-I379 PolarHBondContact O-N 3.42Å; F304-L381 HydrophobicContact CD1-CD1 4.33Å; F304-L381 HydrophobicContact CD1-CG 4.37Å; F304-L381 HydrophobicContact CE1-CD1 3.88Å; F304-L381 HydrophobicContact CE1-CD2 4.16Å; F304-L381 HydrophobicContact CE1-CG 3.93Å |
| 305 | Y | 95 | Very high | 93.2 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.7 | 170.2 | -65.7 | -87.4 | 0 | 0 | 0 | 108.6 | E275 S276 I278 G373 T375 N377 L378 | E275-Y305 WeakPolarHBondContact CB-O 3.43Å; E275-Y305 PolarHBondContact N-O 3.15Å; S276-Y305 PolarHBondContact O-N 3.21Å; S276-Y305 VanDerWaalsContact OG-CD2 3.29Å; S276-Y305 WeakPolarHBondContact OG-CD2 3.26Å; I278-Y305 HydrophobicContact CD1-CE2 3.81Å; I278-Y305 HydrophobicContact CG1-CE2 4.31Å; Y305-G373 WeakPolarHBondContact CE1-O 3.42Å; Y305-G373 PolarHBondContact OH-O 3.2Å; Y305-T375 WeakPolarHBondContact CE1-OG1 3.3Å; Y305-N377 WeakPolarHBondContact CA-O 3.27Å; Y305-L378 HydrophobicContact CD1-CB 4.06Å; Y305-L378 HydrophobicContact CD1-CD1 4.24Å; Y305-L378 HydrophobicContact CD2-CD1 4.38Å; Y305-L378 HydrophobicContact CE1-CB 3.77Å; Y305-L378 HydrophobicContact CE1-CD1 3.89Å; Y305-L378 HydrophobicContact CE1-CG 4.29Å; Y305-L378 HydrophobicContact CE2-CD1 4.08Å; Y305-L378 HydrophobicContact CG-CD1 4.48Å |
| 306 | I | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.7 | 171.6 | -167 | 171.2 | 0 | 0 | 0 | 109.6 | F304 E312 A313 F316 N377 I379 L399 T402 | F304-I306 HydrophobicContact CE2-CB 4.01Å; I306-E312 HydrophobicContact CD1-CB 4.45Å; I306-A313 HydrophobicContact CG2-CB 3.79Å; I306-F316 HydrophobicContact CD1-CB 3.69Å; I306-F316 HydrophobicContact CD1-CD2 4.33Å; I306-F316 HydrophobicContact CD1-CG 4.06Å; I306-N377 HydrophobicContact CG2-CB 3.96Å; I306-N377 PolarHBondContact N-O 3.03Å; I306-N377 WeakPolarHBondContact O-CB 3.16Å; I306-N377 PolarHBondContact O-ND2 3.31Å; I306-I379 HydrophobicContact CB-CD1 3.93Å; I306-I379 HydrophobicContact CD1-CD1 4.42Å; I306-I379 HydrophobicContact CG2-CD1 3.87Å; I306-L399 HydrophobicContact CD1-CD2 3.8Å; I306-L399 HydrophobicContact CG1-CD2 4.07Å; I306-T402 HydrophobicContact CD1-CG2 3.85Å |
| 307 | R | 94.6 | Very high | 92.5 | Very high | 125 Ų | 125 | 28.8 Ų | 28.8 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -66.3 | 143.6 | 171.7 | -69 | -169.2 | -169.9 | -77.7 | -11.1 | 110.4 | P272 L273 V274 E275 | P272-R307 WeakPolarHBondContact O-CD 3.46Å; P272-R307 PolarHBondContact O-NE 3.47Å; L273-R307 WeakPolarHBondContact O-CB 3.17Å; L273-R307 PolarHBondContact O-N 3.5Å; V274-R307 PolarHBondContact O-NE 3.33Å; V274-R307 PolarHBondContact O-NH2 2.88Å; E275-R307 HydrophobicContact CB-CG 4.06Å |
| 308 | G | 89.3 | Confident | 92 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 57% | 0.567 | 19% | 0.193 | S | C | * | . | S | Bend | trans | 100.8 | -152.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 309 | S | 86.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | trans | -110 | -172.9 | -172.8 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | T311 E312 A313 | S309-T311 PolarHBondContact O-N 3.39Å; S309-T311 VanDerWaalsContact O-N 3.1Å; S309-T311 WeakPolarHBondContact OG-CB 3.49Å; S309-T311 PolarHBondContact OG-N 3.34Å; S309-T311 VanDerWaalsContact OG-N 3.1Å; S309-T311 PolarHBondContact OG-OG1 2.75Å; S309-E312 WeakPolarHBondContact CA-OE2 3.47Å; S309-E312 WeakPolarHBondContact CB-OE2 3.38Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.29Å; S309-E312 PolarHBondContact OG-OE2 2.93Å; S309-A313 PolarHBondContact O-N 3.46Å | ||
| 310 | K | 84.8 | Confident | 91.3 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -43.6 | -37.7 | 163.9 | 175.9 | 177.2 | 162.6 | -165.6 | 0 | 113.8 | A313 V314 V333 K334 D376 | K310-A313 PolarHBondContact O-N 3.21Å; K310-V314 HydrophobicContact CG-CG2 4.22Å; K310-V314 WeakPolarHBondContact O-CB 3.49Å; K310-V314 VanDerWaalsContact O-CG2 3.29Å; K310-V314 WeakPolarHBondContact O-CG2 3.25Å; K310-V314 PolarHBondContact O-N 2.89Å; K310-V333 HydrophobicContact CD-CG1 3.5Å; K310-V333 HydrophobicContact CG-CB 4.43Å; K310-V333 HydrophobicContact CG-CG1 3.52Å; K310-V333 HydrophobicContact CG-CG2 4Å; K310-K334 WeakPolarHBondContact CD-O 3.17Å; K310-K334 WeakPolarHBondContact CE-O 3.32Å; K310-K334 PolarHBondContact NZ-O 2.97Å; K310-D376 HydrophobicContact CB-CB 3.95Å |
| 311 | T | 89.1 | Confident | 90.6 | Very high | 86 Ų | 86 | 45.7 Ų | 45.7 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -49.7 | -176.1 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | S309 V314 T315 | S309-T311 PolarHBondContact O-N 3.39Å; S309-T311 VanDerWaalsContact O-N 3.1Å; S309-T311 WeakPolarHBondContact OG-CB 3.49Å; S309-T311 PolarHBondContact OG-N 3.34Å; S309-T311 VanDerWaalsContact OG-N 3.1Å; S309-T311 PolarHBondContact OG-OG1 2.75Å; T311-V314 PolarHBondContact O-N 3.19Å; T311-T315 WeakPolarHBondContact O-CB 3.23Å; T311-T315 PolarHBondContact O-N 2.91Å; T311-T315 PolarHBondContact O-OG1 3.48Å; T311-T315 VanDerWaalsContact O-OG1 3.06Å |
| 312 | E | 91.7 | Very high | 89 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.3 | -69.2 | 67.4 | -151.4 | 0 | 0 | 110.6 | I306 S309 V314 T315 F316 T402 | I306-E312 HydrophobicContact CD1-CB 4.45Å; S309-E312 WeakPolarHBondContact CA-OE2 3.47Å; S309-E312 WeakPolarHBondContact CB-OE2 3.38Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.29Å; S309-E312 PolarHBondContact OG-OE2 2.93Å; E312-V314 PolarHBondContact O-N 2.93Å; E312-T315 PolarHBondContact O-N 3.27Å; E312-F316 WeakPolarHBondContact O-CB 3.46Å; E312-F316 PolarHBondContact O-N 3.11Å; E312-T402 HydrophobicContact CB-CG2 4.38Å; E312-T402 VanDerWaalsContact O-CG2 3.27Å; E312-T402 WeakPolarHBondContact O-CG2 3.03Å |
| 313 | A | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I306 S309 K310 F316 L317 I331 I379 | I306-A313 HydrophobicContact CG2-CB 3.79Å; S309-A313 PolarHBondContact O-N 3.46Å; K310-A313 PolarHBondContact O-N 3.21Å; A313-F316 PolarHBondContact O-N 3.46Å; A313-L317 PolarHBondContact O-N 3.04Å; A313-I331 HydrophobicContact CB-CD1 3.65Å; A313-I331 WeakPolarHBondContact O-CD1 3.16Å; A313-I379 HydrophobicContact CB-CD1 4.44Å |
| 314 | V | 88.5 | Confident | 84.7 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | K310 T311 E312 K318 V333 | K310-V314 HydrophobicContact CG-CG2 4.22Å; K310-V314 WeakPolarHBondContact O-CB 3.49Å; K310-V314 VanDerWaalsContact O-CG2 3.29Å; K310-V314 WeakPolarHBondContact O-CG2 3.25Å; K310-V314 PolarHBondContact O-N 2.89Å; T311-V314 PolarHBondContact O-N 3.19Å; E312-V314 PolarHBondContact O-N 2.93Å; V314-K318 HydrophobicContact CG1-CD 4.23Å; V314-K318 WeakPolarHBondContact O-CG 3.47Å; V314-K318 PolarHBondContact O-N 3.36Å; V314-K318 VanDerWaalsContact O-N 3.12Å; V314-V333 HydrophobicContact CG2-CG1 4.18Å; V314-V333 HydrophobicContact CG2-CG2 4.32Å |
| 315 | T | 90.8 | Very high | 82 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 176.4 | -63.9 | 0 | 0 | 0 | 0 | 111 | T311 E312 L317 K318 S319 A401 T402 | T311-T315 WeakPolarHBondContact O-CB 3.23Å; T311-T315 PolarHBondContact O-N 2.91Å; T311-T315 PolarHBondContact O-OG1 3.48Å; T311-T315 VanDerWaalsContact O-OG1 3.06Å; E312-T315 PolarHBondContact O-N 3.27Å; T315-L317 PolarHBondContact O-N 3.11Å; T315-K318 PolarHBondContact O-N 2.77Å; T315-S319 WeakPolarHBondContact O-CB 3.39Å; T315-S319 PolarHBondContact O-N 2.93Å; T315-S319 PolarHBondContact O-OG 3.29Å; T315-A401 WeakPolarHBondContact CG2-O 3.44Å; T315-T402 HydrophobicContact CG2-CG2 4.32Å |
| 316 | F | 91.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53 | -53.2 | 175.3 | 167.1 | -95.1 | 0 | 0 | 0 | 110.8 | F304 I306 E312 A313 K318 S319 L320 I379 L395 A398 L399 T402 | F304-F316 HydrophobicContact CE1-CE1 4.41Å; F304-F316 HydrophobicContact CE1-CZ 4.38Å; F304-F316 HydrophobicContact CZ-CD1 4.44Å; F304-F316 AromaticContact CZ-CE1 3.8Å; F304-F316 HydrophobicContact CZ-CE1 3.8Å; F304-F316 HydrophobicContact CZ-CE2 4.33Å; F304-F316 AromaticContact CZ-CZ 3.73Å; F304-F316 HydrophobicContact CZ-CZ 3.73Å; I306-F316 HydrophobicContact CD1-CB 3.69Å; I306-F316 HydrophobicContact CD1-CD2 4.33Å; I306-F316 HydrophobicContact CD1-CG 4.06Å; E312-F316 WeakPolarHBondContact O-CB 3.46Å; E312-F316 PolarHBondContact O-N 3.11Å; A313-F316 PolarHBondContact O-N 3.46Å; F316-K318 VanDerWaalsContact C-N 3.3Å; F316-K318 PolarHBondContact O-N 3.14Å; F316-S319 PolarHBondContact O-N 3.04Å; F316-L320 HydrophobicContact CD1-CD1 4.37Å; F316-L320 HydrophobicContact CE1-CD1 3.75Å; F316-L320 HydrophobicContact CE1-CG 4.41Å; F316-L320 HydrophobicContact CE2-CD2 4.19Å; F316-L320 HydrophobicContact CZ-CD1 3.93Å; F316-L320 HydrophobicContact CZ-CD2 4.01Å; F316-L320 HydrophobicContact CZ-CG 4.27Å; F316-L320 PolarHBondContact O-N 2.85Å; F316-I379 HydrophobicContact CD1-CD1 3.48Å; F316-I379 VanDerWaalsContact CD1-CD1 3.48Å; F316-I379 HydrophobicContact CD1-CG1 4.49Å; F316-I379 HydrophobicContact CE1-CD1 3.84Å; F316-I379 HydrophobicContact CE1-CG2 4.03Å; F316-I379 HydrophobicContact CG-CD1 4.2Å; F316-L395 HydrophobicContact CE2-CD2 4.17Å; F316-L395 HydrophobicContact CZ-CD2 3.7Å; F316-A398 HydrophobicContact CD2-CB 3.59Å; F316-A398 HydrophobicContact CE2-CB 3.68Å; F316-A398 HydrophobicContact CG-CB 4.41Å; F316-L399 HydrophobicContact CD2-CD2 3.86Å; F316-L399 HydrophobicContact CD2-CG 3.87Å; F316-L399 HydrophobicContact CE2-CD2 4.04Å; F316-L399 HydrophobicContact CE2-CG 3.79Å; F316-T402 HydrophobicContact CB-CG2 3.7Å |
| 317 | L | 87.6 | Confident | 76.8 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -37.1 | -179.5 | -81.4 | -156.8 | 0 | 0 | 0 | 113.8 | A313 T315 S319 L320 L329 I331 I379 | A313-L317 PolarHBondContact O-N 3.04Å; T315-L317 PolarHBondContact O-N 3.11Å; L317-S319 PolarHBondContact O-N 3.44Å; L317-L320 HydrophobicContact CD2-CD1 4.02Å; L317-L329 HydrophobicContact CD2-CB 4.41Å; L317-L329 HydrophobicContact CD2-CD2 3.67Å; L317-I331 HydrophobicContact CB-CD1 4.19Å; L317-I331 HydrophobicContact CD1-CB 3.42Å; L317-I331 VanDerWaalsContact CD1-CB 3.42Å; L317-I331 HydrophobicContact CD1-CD1 3.33Å; L317-I331 HydrophobicContact CD1-CG1 3.26Å; L317-I331 HydrophobicContact CD1-CG2 4.46Å; L317-I331 HydrophobicContact CD2-CD1 4.48Å; L317-I331 HydrophobicContact CD2-CG1 4.36Å; L317-I331 HydrophobicContact CG-CB 4.35Å; L317-I331 HydrophobicContact CG-CD1 3.36Å; L317-I331 HydrophobicContact CG-CG1 3.64Å; L317-I379 HydrophobicContact CD2-CG2 4.47Å |
| 318 | K | 88.4 | Confident | 74.6 | Confident | 168 Ų | 168 | 63.7 Ų | 63.7 | 73% | 0.73 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70 | -24.7 | 177.9 | -75.5 | 178.4 | 175.3 | -176.1 | 0 | 112.9 | V314 T315 F316 | V314-K318 HydrophobicContact CG1-CD 4.23Å; V314-K318 WeakPolarHBondContact O-CG 3.47Å; V314-K318 PolarHBondContact O-N 3.36Å; V314-K318 VanDerWaalsContact O-N 3.12Å; T315-K318 PolarHBondContact O-N 2.77Å; F316-K318 VanDerWaalsContact C-N 3.3Å; F316-K318 PolarHBondContact O-N 3.14Å |
| 319 | S | 90.6 | Very high | 72.3 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -87.3 | -15.2 | -175.4 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | T315 F316 L317 A401 | T315-S319 WeakPolarHBondContact O-CB 3.39Å; T315-S319 PolarHBondContact O-N 2.93Å; T315-S319 PolarHBondContact O-OG 3.29Å; F316-S319 PolarHBondContact O-N 3.04Å; L317-S319 PolarHBondContact O-N 3.44Å; S319-A401 VanDerWaalsContact OG-CB 3.3Å; S319-A401 WeakPolarHBondContact OG-CB 3.48Å |
| 320 | L | 86.8 | Confident | 70.5 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | trans | -66 | 143.8 | 175.5 | -67.2 | 168.4 | 0 | 0 | 0 | 110.8 | F316 L317 N324 L329 L395 A398 | F316-L320 HydrophobicContact CD1-CD1 4.37Å; F316-L320 HydrophobicContact CE1-CD1 3.75Å; F316-L320 HydrophobicContact CE1-CG 4.41Å; F316-L320 HydrophobicContact CE2-CD2 4.19Å; F316-L320 HydrophobicContact CZ-CD1 3.93Å; F316-L320 HydrophobicContact CZ-CD2 4.01Å; F316-L320 HydrophobicContact CZ-CG 4.27Å; F316-L320 PolarHBondContact O-N 2.85Å; L317-L320 HydrophobicContact CD2-CD1 4.02Å; L320-N324 VanDerWaalsContact O-CG 3.31Å; L320-N324 PolarHBondContact O-ND2 3.09Å; L320-N324 PolarHBondContact O-OD1 2.93Å; L320-L329 HydrophobicContact CD1-CD2 3.02Å; L320-L329 HydrophobicContact CG-CD2 4.48Å; L320-L395 HydrophobicContact CD2-CD2 4.09Å; L320-A398 HydrophobicContact CD2-CB 3.48Å; L320-A398 VanDerWaalsContact CD2-CB 3.48Å; L320-A398 HydrophobicContact CG-CB 3.79Å | ||
| 321 | K | 81 | Confident | 68.4 | Low | 165 Ų | 165 | 58.5 Ų | 58.5 | 72% | 0.717 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -125.4 | -49.9 | -177.4 | -65 | -179.5 | -177.6 | 174.5 | 0 | 112.2 | N324 D394 | K321-N324 WeakPolarHBondContact O-CB 3.49Å; K321-N324 PolarHBondContact O-N 3.24Å; K321-D394 PolarHBondContact N-OD1 2.9Å; K321-D394 PolarHBondContact N-OD2 3Å |
| 322 | V | 61.8 | Low | 66.2 | Low | 49 Ų | 49 | 54.7 Ų | 54.7 | 30% | 0.297 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -70 | -42.7 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109 | N324 N325 E386 L391 D394 | V322-N324 PolarHBondContact O-N 3.41Å; V322-N324 VanDerWaalsContact O-N 3.1Å; V322-N325 PolarHBondContact O-N 2.87Å; V322-E386 HydrophobicContact CG1-CG 4.32Å; V322-L391 HydrophobicContact CG1-CD2 4.44Å; V322-D394 HydrophobicContact CB-CB 3.93Å; V322-D394 WeakPolarHBondContact CB-OD2 3.44Å; V322-D394 HydrophobicContact CG2-CB 3.91Å; V322-D394 VanDerWaalsContact N-CG 3.31Å; V322-D394 PolarHBondContact N-OD1 3.36Å; V322-D394 PolarHBondContact N-OD2 3.35Å |
| 323 | S | 54.9 | Low | 63.5 | Low | 7 Ų | 7 | 52.3 Ų | 52.3 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.5 | -8.5 | 178.2 | -48.3 | 0 | 0 | 0 | 0 | 113.8 | N325 I326 D394 | S323-N325 VanDerWaalsContact C-N 3.28Å; S323-N325 PolarHBondContact O-N 3.3Å; S323-I326 CarbonylContact O-C 3.59Å; S323-I326 WeakPolarHBondContact O-CA 3.49Å; S323-I326 VanDerWaalsContact O-CB 3.32Å; S323-I326 WeakPolarHBondContact O-CB 3.1Å; S323-I326 PolarHBondContact O-N 3Å; S323-D394 PolarHBondContact N-OD2 2.99Å; S323-D394 PolarHBondContact OG-OD2 2.91Å; S323-D394 VanDerWaalsContact OG-OD2 3.13Å |
| 324 | N | 46.5 | Very low | 60.7 | Low | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -72.3 | -20.4 | 176.4 | -75.1 | -23.4 | 0 | 0 | 0 | 113.3 | L320 K321 V322 I326 | L320-N324 VanDerWaalsContact O-CG 3.31Å; L320-N324 PolarHBondContact O-ND2 3.09Å; L320-N324 PolarHBondContact O-OD1 2.93Å; K321-N324 WeakPolarHBondContact O-CB 3.49Å; K321-N324 PolarHBondContact O-N 3.24Å; V322-N324 PolarHBondContact O-N 3.41Å; V322-N324 VanDerWaalsContact O-N 3.1Å; N324-I326 VanDerWaalsContact C-N 3.29Å |
| 325 | N | 39.8 | Very low | 58 | Low | 146 Ų | 146 | 58.9 Ų | 58.9 | 78% | 0.781 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -77.8 | -19.9 | 168 | -73.5 | -28.4 | 0 | 0 | 0 | 111.8 | V322 S323 K327 | V322-N325 PolarHBondContact O-N 2.87Å; S323-N325 VanDerWaalsContact C-N 3.28Å; S323-N325 PolarHBondContact O-N 3.3Å; N325-K327 PolarHBondContact O-N 3.33Å; N325-K327 VanDerWaalsContact O-N 3.16Å |
| 326 | I | 40.2 | Very low | 55 | Low | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | trans | -83.3 | 86 | 169.5 | -52.3 | 176.3 | 0 | 0 | 0 | 107.6 | S323 N324 E328 L329 S382 E386 | S323-I326 CarbonylContact O-C 3.59Å; S323-I326 WeakPolarHBondContact O-CA 3.49Å; S323-I326 VanDerWaalsContact O-CB 3.32Å; S323-I326 WeakPolarHBondContact O-CB 3.1Å; S323-I326 PolarHBondContact O-N 3Å; N324-I326 VanDerWaalsContact C-N 3.29Å; I326-E328 HydrophobicContact CG2-CB 4.41Å; I326-E328 PolarHBondContact O-N 2.98Å; I326-L329 HydrophobicContact CB-CD1 4.32Å; I326-L329 HydrophobicContact CG2-CD1 4.07Å; I326-L329 PolarHBondContact O-N 3.06Å; I326-S382 WeakPolarHBondContact CG2-O 3.26Å; I326-E386 WeakPolarHBondContact CG1-OE1 3.38Å | ||
| 327 | K | 40.4 | Very low | 52 | Low | 188 Ų | 188 | 72.5 Ų | 72.5 | 82% | 0.817 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 11.7 | 176.4 | -68.6 | -177.5 | 179.9 | 174.2 | 0 | 114.8 | N325 | N325-K327 PolarHBondContact O-N 3.33Å; N325-K327 VanDerWaalsContact O-N 3.16Å |
| 328 | E | 48 | Very low | 49.1 | Very low | 32 Ų | 32 | 78.8 Ų | 78.8 | 15% | 0.15 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 29.9 | -176.3 | -66.3 | -143.2 | -178 | 0 | 0 | 113 | K200 I326 Y330 | K200-E328 IonicContact NZ-OE1 3.62Å; K200-E328 PolarHBondContact NZ-OE1 2.94Å; K200-E328 IonicContact NZ-OE2 3.37Å; K200-E328 PolarHBondContact NZ-OE2 2.96Å; I326-E328 HydrophobicContact CG2-CB 4.41Å; I326-E328 PolarHBondContact O-N 2.98Å; E328-Y330 HydrophobicContact CB-CE2 3.65Å; E328-Y330 HydrophobicContact CG-CE2 4.21Å; E328-Y330 WeakPolarHBondContact CG-OH 3.43Å; E328-Y330 WeakPolarHBondContact O-CD2 3.44Å; E328-Y330 WeakPolarHBondContact O-CE2 3.46Å |
| 329 | L | 40.6 | Very low | 46.2 | Very low | 24 Ų | 24 | 78.8 Ų | 78.8 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | trans | -83.5 | 128.5 | 159.5 | -103.6 | 77.2 | 0 | 0 | 0 | 110.8 | L317 L320 I326 L381 | L317-L329 HydrophobicContact CD2-CB 4.41Å; L317-L329 HydrophobicContact CD2-CD2 3.67Å; L320-L329 HydrophobicContact CD1-CD2 3.02Å; L320-L329 HydrophobicContact CG-CD2 4.48Å; I326-L329 HydrophobicContact CB-CD1 4.32Å; I326-L329 HydrophobicContact CG2-CD1 4.07Å; I326-L329 PolarHBondContact O-N 3.06Å; L329-L381 HydrophobicContact CD1-CD2 4.04Å; L329-L381 HydrophobicContact CD2-CD2 3.59Å; L329-L381 HydrophobicContact CG-CD2 3.64Å | ||
| 330 | Y | 48.9 | Very low | 43.2 | Very low | 31 Ų | 31 | 87.2 Ų | 87.2 | 12% | 0.122 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.8 | -176.1 | -58 | -82.8 | 0 | 0 | 0 | 111.1 | E328 M359 T360 R380 | E328-Y330 HydrophobicContact CB-CE2 3.65Å; E328-Y330 HydrophobicContact CG-CE2 4.21Å; E328-Y330 WeakPolarHBondContact CG-OH 3.43Å; E328-Y330 WeakPolarHBondContact O-CD2 3.44Å; E328-Y330 WeakPolarHBondContact O-CE2 3.46Å; Y330-M359 HydrophobicContact CD1-CB 4.17Å; Y330-M359 HydrophobicContact CD1-CE 3.81Å; Y330-M359 HydrophobicContact CD1-SD 3.94Å; Y330-M359 HydrophobicContact CE1-CE 4.1Å; Y330-T360 HydrophobicContact CD1-CG2 3.52Å; Y330-T360 HydrophobicContact CE1-CG2 3.62Å; Y330-T360 HydrophobicContact CG-CG2 4.09Å; Y330-R380 VanDerWaalsContact CD2-CZ 3.42Å; Y330-R380 PolarHBondContact N-O 3.08Å; Y330-R380 VanDerWaalsContact N-O 3.12Å; Y330-R380 PolarHBondContact O-N 3.4Å |
| 331 | I | 41.2 | Very low | 40.3 | Very low | 2 Ų | 2 | 94.2 Ų | 94.2 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.4 | 164.6 | -105.3 | -171.2 | 0 | 0 | 0 | 108.7 | A313 L317 V333 L358 I379 | A313-I331 HydrophobicContact CB-CD1 3.65Å; A313-I331 WeakPolarHBondContact O-CD1 3.16Å; L317-I331 HydrophobicContact CB-CD1 4.19Å; L317-I331 HydrophobicContact CD1-CB 3.42Å; L317-I331 VanDerWaalsContact CD1-CB 3.42Å; L317-I331 HydrophobicContact CD1-CD1 3.33Å; L317-I331 HydrophobicContact CD1-CG1 3.26Å; L317-I331 HydrophobicContact CD1-CG2 4.46Å; L317-I331 HydrophobicContact CD2-CD1 4.48Å; L317-I331 HydrophobicContact CD2-CG1 4.36Å; L317-I331 HydrophobicContact CG-CB 4.35Å; L317-I331 HydrophobicContact CG-CD1 3.36Å; L317-I331 HydrophobicContact CG-CG1 3.64Å; I331-V333 HydrophobicContact CB-CG2 4.36Å; I331-V333 HydrophobicContact CD1-CG2 4.07Å; I331-V333 HydrophobicContact CG1-CG2 4.42Å; I331-V333 HydrophobicContact CG2-CB 3.19Å; I331-V333 HydrophobicContact CG2-CG1 4.41Å; I331-V333 HydrophobicContact CG2-CG2 3.14Å; I331-V333 VanDerWaalsContact CG2-N 3.34Å; I331-L358 HydrophobicContact CG2-CB 4.49Å; I331-L358 HydrophobicContact CG2-CD1 4.01Å; I331-I379 HydrophobicContact CD1-CG1 4.41Å; I331-I379 HydrophobicContact CG1-CG1 3.96Å |
| 332 | I | 43 | Very low | 37.9 | Very low | 5 Ų | 5 | 94.2 Ų | 94.2 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | trans | -102.7 | 74.5 | 166.9 | -54.7 | 171.2 | 0 | 0 | 0 | 108.3 | P150 A357 H361 I374 L378 | P150-I332 HydrophobicContact CB-CD1 4.08Å; P150-I332 HydrophobicContact CG-CD1 3.55Å; I332-A357 HydrophobicContact CG2-CB 3.47Å; I332-A357 VanDerWaalsContact CG2-CB 3.47Å; I332-H361 HydrophobicContact CD1-CB 4.2Å; I332-H361 VanDerWaalsContact CD1-ND1 3.32Å; I332-H361 WeakPolarHBondContact CD1-ND1 3.47Å; I332-H361 HydrophobicContact CG2-CB 4.31Å; I332-I374 HydrophobicContact CB-CG2 3.8Å; I332-I374 HydrophobicContact CD1-CG2 3.39Å; I332-I374 HydrophobicContact CG1-CG2 4.16Å; I332-I374 HydrophobicContact CG2-CG2 3.35Å; I332-L378 HydrophobicContact CD1-CD2 4.28Å | ||
| 333 | V | 34.5 | Very low | 36.3 | Very low | 0 Ų | 0 | 96.6 Ų | 96.6 | 0% | 0 | 47% | 0.467 | C | S | . | . | trans | -106.7 | 138.3 | -177.9 | 154.2 | 0 | 0 | 0 | 0 | 111.2 | K310 V314 I331 A357 L358 D376 | K310-V333 HydrophobicContact CD-CG1 3.5Å; K310-V333 HydrophobicContact CG-CB 4.43Å; K310-V333 HydrophobicContact CG-CG1 3.52Å; K310-V333 HydrophobicContact CG-CG2 4Å; V314-V333 HydrophobicContact CG2-CG1 4.18Å; V314-V333 HydrophobicContact CG2-CG2 4.32Å; I331-V333 HydrophobicContact CB-CG2 4.36Å; I331-V333 HydrophobicContact CD1-CG2 4.07Å; I331-V333 HydrophobicContact CG1-CG2 4.42Å; I331-V333 HydrophobicContact CG2-CB 3.19Å; I331-V333 HydrophobicContact CG2-CG1 4.41Å; I331-V333 HydrophobicContact CG2-CG2 3.14Å; I331-V333 VanDerWaalsContact CG2-N 3.34Å; V333-A357 CarbonylContact O-C 3.54Å; V333-A357 VanDerWaalsContact O-C 3.3Å; V333-A357 VanDerWaalsContact O-CA 3.25Å; V333-A357 WeakPolarHBondContact O-CA 3.43Å; V333-L358 HydrophobicContact CB-CD1 3.66Å; V333-L358 HydrophobicContact CB-CG 3.97Å; V333-L358 HydrophobicContact CG1-CD1 3.59Å; V333-L358 HydrophobicContact CG1-CG 3.96Å; V333-L358 VanDerWaalsContact O-CG 3.23Å; V333-L358 WeakPolarHBondContact O-CG 3.26Å; V333-L358 PolarHBondContact O-N 3.18Å; V333-D376 HydrophobicContact CG2-CB 4.48Å; V333-D376 WeakPolarHBondContact CG2-O 3.38Å | ||
| 334 | K | 30.4 | Very low | 35 | Very low | 77 Ų | 77 | 108.4 Ų | 108.4 | 34% | 0.335 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 124.9 | 165 | -179.5 | 174.1 | -175.4 | 154.7 | 0 | 111.1 | K310 E366 D376 | K310-K334 WeakPolarHBondContact CD-O 3.17Å; K310-K334 WeakPolarHBondContact CE-O 3.32Å; K310-K334 PolarHBondContact NZ-O 2.97Å; K334-E366 WeakPolarHBondContact CE-OE1 3.47Å; K334-E366 IonicContact NZ-OE1 3.78Å; K334-E366 PolarHBondContact NZ-OE1 3.14Å; K334-D376 WeakPolarHBondContact CB-OD1 3.42Å; K334-D376 WeakPolarHBondContact CB-OD2 3.47Å; K334-D376 PolarHBondContact N-OD1 2.76Å |
| 335 | Q | 31.4 | Very low | 34.5 | Very low | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | trans | -94.9 | 123.1 | 163.7 | -142.4 | -165.2 | 39.1 | 0 | 0 | 110.8 | L358 | Q335-L358 HydrophobicContact CB-CD2 3.85Å; Q335-L358 HydrophobicContact CG-CD2 4.1Å | ||
| 336 | S | 28.2 | Very low | 34.2 | Very low | 84 Ų | 84 | 110.4 Ų | 110.4 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | trans | -116.7 | 111.2 | 159.5 | 57.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 337 | R | 27 | Very low | 34 | Very low | 244 Ų | 244 | 116.4 Ų | 116.4 | 92% | 0.921 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 64.6 | 98.5 | 170.7 | -62.7 | 175.4 | 125 | 154.7 | -1.4 | 117.5 | ||
| 338 | F | 27.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 74% | 0.741 | 54% | 0.541 | S | S | * | . | trans | -169.1 | 88.8 | 132.3 | -150.1 | -101 | 0 | 0 | 0 | 111 | ||||
| 339 | L | 28.6 | Very low | 33.1 | Very low | 168 Ų | 168 | 119.3 Ų | 119.3 | 88% | 0.88 | 57% | 0.574 | S | S | * | * | trans | -138.2 | 89.3 | 160.1 | -92.2 | 167.9 | 0 | 0 | 0 | 106.9 | ||||
| 340 | R | 25.6 | Very low | 32.8 | Very low | 215 Ų | 215 | 124.3 Ų | 124.3 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | trans | -109.3 | 131.3 | 161.3 | -153.4 | 178.9 | -166 | -164.1 | 3.3 | 105.2 | ||||
| 341 | L | 26.3 | Very low | 32.1 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 78% | 0.775 | 64% | 0.636 | S | S | * | * | trans | 78.8 | 97.6 | -173.7 | -66 | 98.4 | 0 | 0 | 0 | 115.3 | ||||
| 342 | L | 30.6 | Very low | 31.6 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | -174.2 | 116.6 | 114.8 | -90.5 | 165.9 | 0 | 0 | 0 | 110 | |||||
| 343 | S | 28.1 | Very low | 31 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | 51.4 | 98.1 | 147.1 | 55.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 344 | R | 28.3 | Very low | 30.9 | Very low | 254 Ų | 254 | 152.2 Ų | 152.2 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | 31.7 | 90.1 | 119.4 | -58.2 | 173.9 | 91.3 | 125 | -0.2 | 117.9 | |||||
| 345 | S | 37 | Very low | 30.9 | Very low | 92 Ų | 92 | 158.3 Ų | 158.3 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | -166.5 | 141 | 135.7 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | D347 | S345-D347 VanDerWaalsContact C-N 3.3Å; S345-D347 PolarHBondContact O-N 3.26Å | ||
| 346 | E | 32.1 | Very low | 31 | Very low | 195 Ų | 195 | 157.6 Ų | 157.6 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -78.2 | 67.8 | -172.4 | -67 | 175.7 | 148.3 | 0 | 0 | 111.6 | ||
| 347 | D | 35.6 | Very low | 31.5 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -149.6 | 22.6 | 172.9 | -92.3 | -38.1 | 0 | 0 | 0 | 114.2 | S345 | S345-D347 VanDerWaalsContact C-N 3.3Å; S345-D347 PolarHBondContact O-N 3.26Å | ||
| 348 | T | 36.6 | Very low | 32.5 | Very low | 88 Ų | 88 | 145.8 Ų | 145.8 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | 34.2 | -171 | 46.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 349 | K | 33 | Very low | 33.9 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -24.8 | 173.2 | -88.5 | -178.3 | 178.6 | 174.1 | 0 | 114.2 | ||
| 350 | V | 35 | Very low | 35 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -83 | -24.3 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 351 | W | 33.5 | Very low | 36.7 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -83.4 | -19.1 | -178 | -86.3 | 94.9 | 0 | 0 | 0 | 115.1 | N353 T354 | W351-N353 VanDerWaalsContact C-N 3.33Å; W351-N353 PolarHBondContact O-N 2.89Å; W351-T354 PolarHBondContact O-OG1 2.97Å; W351-T354 VanDerWaalsContact O-OG1 3.08Å |
| 352 | R | 32 | Very low | 38.2 | Very low | 214 Ų | 214 | 119.2 Ų | 119.2 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -13.3 | -168.3 | -110.7 | 176.5 | 151.2 | 129.5 | -5.6 | 116 | ||
| 353 | N | 30.3 | Very low | 39.7 | Very low | 150 Ų | 150 | 112.7 Ų | 112.7 | 80% | 0.802 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 15.8 | -175.2 | -77.8 | -17.2 | 0 | 0 | 0 | 115 | W351 | W351-N353 VanDerWaalsContact C-N 3.33Å; W351-N353 PolarHBondContact O-N 2.89Å |
| 354 | T | 32.6 | Very low | 41.5 | Very low | 60 Ų | 60 | 108.2 Ų | 108.2 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | trans | -105.2 | 81.9 | -176.4 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | W351 K356 | W351-T354 PolarHBondContact O-OG1 2.97Å; W351-T354 VanDerWaalsContact O-OG1 3.08Å; T354-K356 VanDerWaalsContact CB-CE 3.43Å; T354-K356 HydrophobicContact CG2-CD 4.08Å; T354-K356 VanDerWaalsContact CG2-NZ 3.31Å; T354-K356 PolarHBondContact O-N 2.95Å | ||
| 355 | R | 29.4 | Very low | 43.5 | Very low | 205 Ų | 205 | 99.6 Ų | 99.6 | 77% | 0.774 | 49% | 0.493 | S | S | * | . | trans | -69.5 | 66.3 | 171.5 | -62.3 | -179.6 | -167.8 | 174.8 | 3.1 | 111.2 | ||||
| 356 | K | 33.6 | Very low | 45.1 | Very low | 86 Ų | 86 | 98 Ų | 98 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | trans | -99.7 | 150.9 | -165.8 | -69.4 | 178.3 | 172.4 | 165.2 | 0 | 112.5 | T354 A362 | T354-K356 VanDerWaalsContact CB-CE 3.43Å; T354-K356 HydrophobicContact CG2-CD 4.08Å; T354-K356 VanDerWaalsContact CG2-NZ 3.31Å; T354-K356 PolarHBondContact O-N 2.95Å; K356-A362 HydrophobicContact CB-CB 3.96Å; K356-A362 WeakPolarHBondContact CB-O 3.34Å; K356-A362 HydrophobicContact CD-CB 4.36Å; K356-A362 WeakPolarHBondContact CD-O 3.49Å; K356-A362 WeakPolarHBondContact CG-O 3.38Å | ||
| 357 | A | 38.2 | Very low | 47.2 | Very low | 4 Ų | 4 | 95.8 Ų | 95.8 | 3% | 0.033 | 46% | 0.463 | C | S | . | . | B | Isolated β-bridge | trans | -47.5 | 150.3 | 161 | 0 | 0 | 0 | 0 | 0 | 111.4 | I332 V333 M359 A362 | I332-A357 HydrophobicContact CG2-CB 3.47Å; I332-A357 VanDerWaalsContact CG2-CB 3.47Å; V333-A357 CarbonylContact O-C 3.54Å; V333-A357 VanDerWaalsContact O-C 3.3Å; V333-A357 VanDerWaalsContact O-CA 3.25Å; V333-A357 WeakPolarHBondContact O-CA 3.43Å; A357-M359 VanDerWaalsContact C-N 3.29Å; A357-M359 PolarHBondContact O-N 3.24Å; A357-A362 WeakPolarHBondContact O-CB 3.49Å |
| 358 | L | 48.3 | Very low | 49 | Very low | 77 Ų | 77 | 90.5 Ų | 90.5 | 40% | 0.403 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -67.2 | -26 | -169 | -83.1 | -178 | 0 | 0 | 0 | 113.6 | I331 V333 Q335 | I331-L358 HydrophobicContact CG2-CB 4.49Å; I331-L358 HydrophobicContact CG2-CD1 4.01Å; V333-L358 HydrophobicContact CB-CD1 3.66Å; V333-L358 HydrophobicContact CB-CG 3.97Å; V333-L358 HydrophobicContact CG1-CD1 3.59Å; V333-L358 HydrophobicContact CG1-CG 3.96Å; V333-L358 VanDerWaalsContact O-CG 3.23Å; V333-L358 WeakPolarHBondContact O-CG 3.26Å; V333-L358 PolarHBondContact O-N 3.18Å; Q335-L358 HydrophobicContact CB-CD2 3.85Å; Q335-L358 HydrophobicContact CG-CD2 4.1Å |
| 359 | M | 57.1 | Low | 50.8 | Low | 89 Ų | 89 | 86.7 Ų | 86.7 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -141.4 | -113.5 | -168.5 | -54.4 | -175.3 | 84.9 | 0 | 0 | 113.8 | Y330 A357 H361 A362 | Y330-M359 HydrophobicContact CD1-CB 4.17Å; Y330-M359 HydrophobicContact CD1-CE 3.81Å; Y330-M359 HydrophobicContact CD1-SD 3.94Å; Y330-M359 HydrophobicContact CE1-CE 4.1Å; A357-M359 VanDerWaalsContact C-N 3.29Å; A357-M359 PolarHBondContact O-N 3.24Å; M359-H361 PolarHBondContact O-N 3.27Å; M359-A362 WeakPolarHBondContact O-CB 3.35Å; M359-A362 PolarHBondContact O-N 3.06Å; M359-A362 VanDerWaalsContact O-N 3.16Å |
| 360 | T | 51 | Low | 53 | Low | 27 Ų | 27 | 83.3 Ų | 83.3 | 17% | 0.166 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -29.5 | -161.4 | 47.3 | 0 | 0 | 0 | 0 | 114.9 | Y330 | Y330-T360 HydrophobicContact CD1-CG2 3.52Å; Y330-T360 HydrophobicContact CE1-CG2 3.62Å; Y330-T360 HydrophobicContact CG-CG2 4.09Å |
| 361 | H | 62.2 | Low | 55.1 | Low | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.009 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 16 | 178.9 | -61.6 | 84.9 | 0 | 0 | 0 | 112.7 | M102 N149 P150 I332 M359 S363 V364 | M102-H361 PolarHBondContact O-NE2 3Å; N149-H361 PolarHBondContact O-NE2 3.1Å; N149-H361 PolarHBondContact OD1-CE1 2.96Å; P150-H361 VanDerWaalsContact CD-CE1 3.49Å; P150-H361 WeakPolarHBondContact CD-CE1 3.45Å; I332-H361 HydrophobicContact CD1-CB 4.2Å; I332-H361 VanDerWaalsContact CD1-ND1 3.32Å; I332-H361 WeakPolarHBondContact CD1-ND1 3.47Å; I332-H361 HydrophobicContact CG2-CB 4.31Å; M359-H361 PolarHBondContact O-N 3.27Å; H361-S363 PolarHBondContact O-N 2.88Å; H361-S363 VanDerWaalsContact O-N 3.1Å; H361-V364 HydrophobicContact CB-CG2 4.23Å; H361-V364 PolarHBondContact O-N 3.46Å |
| 362 | A | 57 | Low | 57.3 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -30.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K356 A357 M359 V364 | K356-A362 HydrophobicContact CB-CB 3.96Å; K356-A362 WeakPolarHBondContact CB-O 3.34Å; K356-A362 HydrophobicContact CD-CB 4.36Å; K356-A362 WeakPolarHBondContact CD-O 3.49Å; K356-A362 WeakPolarHBondContact CG-O 3.38Å; A357-A362 WeakPolarHBondContact O-CB 3.49Å; M359-A362 WeakPolarHBondContact O-CB 3.35Å; M359-A362 PolarHBondContact O-N 3.06Å; M359-A362 VanDerWaalsContact O-N 3.16Å; A362-V364 VanDerWaalsContact C-N 3.32Å; A362-V364 PolarHBondContact O-N 3.37Å |
| 363 | S | 62.1 | Low | 59.7 | Low | 28 Ų | 28 | 66.3 Ų | 66.3 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.3 | 178.3 | 35.8 | 0 | 0 | 0 | 0 | 114.8 | G104 R108 H361 | G104-S363 PolarHBondContact O-OG 3.36Å; R108-S363 PolarHBondContact NH1-OG 3.27Å; H361-S363 PolarHBondContact O-N 2.88Å; H361-S363 VanDerWaalsContact O-N 3.1Å |
| 364 | V | 65.8 | Low | 62.3 | Low | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.8 | 126.8 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | M107 H361 A362 I368 R369 | M107-V364 HydrophobicContact CE-CG1 4.06Å; M107-V364 HydrophobicContact CE-CG2 4Å; M107-V364 HydrophobicContact SD-CG2 3.54Å; M107-V364 VanDerWaalsContact SD-CG2 3.54Å; H361-V364 HydrophobicContact CB-CG2 4.23Å; H361-V364 PolarHBondContact O-N 3.46Å; A362-V364 VanDerWaalsContact C-N 3.32Å; A362-V364 PolarHBondContact O-N 3.37Å; V364-I368 HydrophobicContact CG1-CB 3.89Å; V364-I368 HydrophobicContact CG1-CG2 3.67Å; V364-R369 HydrophobicContact CB-CG 3.78Å; V364-R369 HydrophobicContact CG1-CG 3.74Å; V364-R369 PolarHBondContact O-NE 3.33Å |
| 365 | P | 71.7 | Confident | 64.8 | Low | 73 Ų | 73 | 59 Ų | 59 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | trans | -51.7 | 141.8 | 175.6 | -27.8 | 34.7 | 0 | 0 | 0 | 113 | K367 I368 R369 | P365-K367 PolarHBondContact O-N 3.02Å; P365-I368 HydrophobicContact CB-CB 4.48Å; P365-I368 HydrophobicContact CB-CD1 4.19Å; P365-I368 HydrophobicContact CB-CG1 4.21Å; P365-I368 HydrophobicContact CG-CD1 3.95Å; P365-I368 WeakPolarHBondContact O-CB 3.33Å; P365-I368 PolarHBondContact O-N 2.97Å; P365-R369 PolarHBondContact O-N 3.41Å | ||
| 366 | E | 69.1 | Low | 67.4 | Low | 58 Ų | 58 | 51.2 Ų | 51.2 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.1 | -47.8 | -176.3 | -175.1 | 171.7 | -160 | 0 | 0 | 112.8 | K334 I368 R369 E370 | K334-E366 WeakPolarHBondContact CE-OE1 3.47Å; K334-E366 IonicContact NZ-OE1 3.78Å; K334-E366 PolarHBondContact NZ-OE1 3.14Å; E366-I368 PolarHBondContact O-N 3.18Å; E366-R369 WeakPolarHBondContact O-CA 3.2Å; E366-R369 WeakPolarHBondContact O-CB 3.49Å; E366-R369 PolarHBondContact O-N 2.99Å; E366-E370 PolarHBondContact O-N 2.91Å |
| 367 | K | 76.2 | Confident | 70.1 | Confident | 148 Ų | 148 | 48 Ų | 48 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.7 | -38.8 | 176.9 | -172.5 | 179.9 | -179.6 | -177.2 | 0 | 112.7 | P365 Q371 | P365-K367 PolarHBondContact O-N 3.02Å; K367-Q371 WeakPolarHBondContact O-CB 3.32Å; K367-Q371 WeakPolarHBondContact O-CG 3.21Å; K367-Q371 PolarHBondContact O-N 3Å |
| 368 | I | 73.8 | Confident | 72.7 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 177.1 | -61.2 | -179.8 | 0 | 0 | 0 | 109.5 | M123 V364 P365 E366 E370 Q371 L372 | M123-I368 HydrophobicContact CE-CD1 4.17Å; M123-I368 HydrophobicContact SD-CD1 4.32Å; M123-I368 HydrophobicContact SD-CG2 4.05Å; V364-I368 HydrophobicContact CG1-CB 3.89Å; V364-I368 HydrophobicContact CG1-CG2 3.67Å; P365-I368 HydrophobicContact CB-CB 4.48Å; P365-I368 HydrophobicContact CB-CD1 4.19Å; P365-I368 HydrophobicContact CB-CG1 4.21Å; P365-I368 HydrophobicContact CG-CD1 3.95Å; P365-I368 WeakPolarHBondContact O-CB 3.33Å; P365-I368 PolarHBondContact O-N 2.97Å; E366-I368 PolarHBondContact O-N 3.18Å; I368-E370 PolarHBondContact O-N 2.96Å; I368-Q371 PolarHBondContact O-N 2.83Å; I368-L372 HydrophobicContact CG2-CD1 3.88Å; I368-L372 HydrophobicContact CG2-CG 4.33Å; I368-L372 WeakPolarHBondContact O-CB 3.47Å; I368-L372 WeakPolarHBondContact O-CG 3.37Å; I368-L372 PolarHBondContact O-N 3.16Å |
| 369 | R | 75.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 176.2 | -69.4 | -170.2 | -68.9 | 123.7 | 0.2 | 112.3 | V364 P365 E366 L372 G373 I374 | V364-R369 HydrophobicContact CB-CG 3.78Å; V364-R369 HydrophobicContact CG1-CG 3.74Å; V364-R369 PolarHBondContact O-NE 3.33Å; P365-R369 PolarHBondContact O-N 3.41Å; E366-R369 WeakPolarHBondContact O-CA 3.2Å; E366-R369 WeakPolarHBondContact O-CB 3.49Å; E366-R369 PolarHBondContact O-N 2.99Å; R369-L372 PolarHBondContact O-N 2.87Å; R369-L372 VanDerWaalsContact O-N 3.16Å; R369-G373 PolarHBondContact O-N 2.86Å; R369-I374 HydrophobicContact CB-CB 4.06Å; R369-I374 HydrophobicContact CB-CG2 4.39Å; R369-I374 HydrophobicContact CG-CG2 4.49Å; R369-I374 WeakPolarHBondContact O-CB 3.47Å; R369-I374 PolarHBondContact O-N 3.34Å |
| 370 | E | 78.2 | Confident | 76.4 | Confident | 122 Ų | 122 | 40.4 Ų | 40.4 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.5 | -43.9 | 177.1 | -71.8 | 175.7 | 172.3 | 0 | 0 | 111.5 | E366 I368 L372 G373 | E366-E370 PolarHBondContact O-N 2.91Å; I368-E370 PolarHBondContact O-N 2.96Å; E370-L372 PolarHBondContact O-N 2.75Å; E370-G373 PolarHBondContact O-N 2.88Å |
| 371 | Q | 79.3 | Confident | 78.4 | Confident | 137 Ų | 137 | 39.4 Ų | 39.4 | 64% | 0.64 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.8 | -31.4 | 175.3 | -76.6 | 173 | -22.2 | 0 | 0 | 113.1 | K367 I368 G373 | K367-Q371 WeakPolarHBondContact O-CB 3.32Å; K367-Q371 WeakPolarHBondContact O-CG 3.21Å; K367-Q371 PolarHBondContact O-N 3Å; I368-Q371 PolarHBondContact O-N 2.83Å; Q371-G373 VanDerWaalsContact C-N 3.32Å |
| 372 | L | 79.1 | Confident | 79.9 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9 | 176.1 | -66.7 | 173.1 | 0 | 0 | 0 | 113.1 | S100 D101 L151 I368 R369 E370 I374 | S100-L372 VanDerWaalsContact O-CD1 3.26Å; S100-L372 WeakPolarHBondContact O-CD1 3.32Å; S100-L372 VanDerWaalsContact OG-CD2 3.29Å; S100-L372 WeakPolarHBondContact OG-CD2 3.48Å; D101-L372 HydrophobicContact CB-CD1 4.1Å; D101-L372 HydrophobicContact CB-CD2 4.03Å; L151-L372 HydrophobicContact CD1-CB 4.13Å; L151-L372 WeakPolarHBondContact CD1-O 3.42Å; I368-L372 HydrophobicContact CG2-CD1 3.88Å; I368-L372 HydrophobicContact CG2-CG 4.33Å; I368-L372 WeakPolarHBondContact O-CB 3.47Å; I368-L372 WeakPolarHBondContact O-CG 3.37Å; I368-L372 PolarHBondContact O-N 3.16Å; R369-L372 PolarHBondContact O-N 2.87Å; R369-L372 VanDerWaalsContact O-N 3.16Å; E370-L372 PolarHBondContact O-N 2.75Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 HydrophobicContact CB-CD1 4.06Å; L372-I374 HydrophobicContact CB-CG1 3.95Å; L372-I374 HydrophobicContact CD1-CD1 4.04Å |
| 373 | G | 83.9 | Confident | 81.6 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 15.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y305 R369 E370 Q371 T375 | Y305-G373 WeakPolarHBondContact CE1-O 3.42Å; Y305-G373 PolarHBondContact OH-O 3.2Å; R369-G373 PolarHBondContact O-N 2.86Å; E370-G373 PolarHBondContact O-N 2.88Å; Q371-G373 VanDerWaalsContact C-N 3.32Å; G373-T375 VanDerWaalsContact C-N 3.32Å; G373-T375 PolarHBondContact O-N 3.13Å |
| 374 | I | 83.7 | Confident | 83 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | trans | -82.7 | 81 | 174.8 | -58.7 | 177.4 | 0 | 0 | 0 | 108.8 | P150 L151 I332 R369 L372 L378 | P150-I374 HydrophobicContact CG-CD1 4.15Å; P150-I374 HydrophobicContact CG-CG1 4.26Å; L151-I374 HydrophobicContact CD1-CD1 4.44Å; L151-I374 HydrophobicContact CD1-CG1 3.98Å; L151-I374 HydrophobicContact CD2-CG1 4.2Å; L151-I374 HydrophobicContact CG-CG1 4.15Å; I332-I374 HydrophobicContact CB-CG2 3.8Å; I332-I374 HydrophobicContact CD1-CG2 3.39Å; I332-I374 HydrophobicContact CG1-CG2 4.16Å; I332-I374 HydrophobicContact CG2-CG2 3.35Å; R369-I374 HydrophobicContact CB-CB 4.06Å; R369-I374 HydrophobicContact CB-CG2 4.39Å; R369-I374 HydrophobicContact CG-CG2 4.49Å; R369-I374 WeakPolarHBondContact O-CB 3.47Å; R369-I374 PolarHBondContact O-N 3.34Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 HydrophobicContact CB-CD1 4.06Å; L372-I374 HydrophobicContact CB-CG1 3.95Å; L372-I374 HydrophobicContact CD1-CD1 4.04Å; I374-L378 HydrophobicContact CB-CD2 4.49Å; I374-L378 HydrophobicContact CG1-CD2 4.42Å; I374-L378 HydrophobicContact CG2-CD2 4.26Å | ||
| 375 | T | 85.1 | Confident | 84.4 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | trans | -94.5 | 167.8 | -177.1 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | Y305 G373 N377 L378 | Y305-T375 WeakPolarHBondContact CE1-OG1 3.3Å; G373-T375 VanDerWaalsContact C-N 3.32Å; G373-T375 PolarHBondContact O-N 3.13Å; T375-N377 WeakPolarHBondContact CB-OD1 3.37Å; T375-N377 PolarHBondContact O-N 3.37Å; T375-N377 VanDerWaalsContact O-N 3.14Å; T375-N377 PolarHBondContact OG1-OD1 3.37Å; T375-L378 WeakPolarHBondContact O-CB 3.44Å; T375-L378 PolarHBondContact O-N 2.96Å; T375-L378 VanDerWaalsContact O-N 3.11Å | ||
| 376 | D | 84.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 41.7 Ų | 41.7 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.6 | -176.8 | -76.5 | -20.4 | 0 | 0 | 0 | 114.3 | K310 V333 K334 | K310-D376 HydrophobicContact CB-CB 3.95Å; V333-D376 HydrophobicContact CG2-CB 4.48Å; V333-D376 WeakPolarHBondContact CG2-O 3.38Å; K334-D376 WeakPolarHBondContact CB-OD1 3.42Å; K334-D376 WeakPolarHBondContact CB-OD2 3.47Å; K334-D376 PolarHBondContact N-OD1 2.76Å |
| 377 | N | 89.7 | Confident | 86.5 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.7 | 175.8 | 69.7 | -38.7 | 0 | 0 | 0 | 113.6 | E275 Y305 I306 T375 | E275-N377 PolarHBondContact OE2-ND2 3.22Å; Y305-N377 WeakPolarHBondContact CA-O 3.27Å; I306-N377 HydrophobicContact CG2-CB 3.96Å; I306-N377 PolarHBondContact N-O 3.03Å; I306-N377 WeakPolarHBondContact O-CB 3.16Å; I306-N377 PolarHBondContact O-ND2 3.31Å; T375-N377 WeakPolarHBondContact CB-OD1 3.37Å; T375-N377 PolarHBondContact O-N 3.37Å; T375-N377 VanDerWaalsContact O-N 3.14Å; T375-N377 PolarHBondContact OG1-OD1 3.37Å |
| 378 | L | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126 | 173.6 | -179.6 | 63.8 | 0 | 0 | 0 | 110.9 | P150 L151 I278 Y305 I332 I374 T375 | P150-L378 HydrophobicContact CG-CD2 3.88Å; L151-L378 HydrophobicContact CD2-CD2 3.79Å; I278-L378 HydrophobicContact CD1-CD1 4.34Å; Y305-L378 HydrophobicContact CD1-CB 4.06Å; Y305-L378 HydrophobicContact CD1-CD1 4.24Å; Y305-L378 HydrophobicContact CD2-CD1 4.38Å; Y305-L378 HydrophobicContact CE1-CB 3.77Å; Y305-L378 HydrophobicContact CE1-CD1 3.89Å; Y305-L378 HydrophobicContact CE1-CG 4.29Å; Y305-L378 HydrophobicContact CE2-CD1 4.08Å; Y305-L378 HydrophobicContact CG-CD1 4.48Å; I332-L378 HydrophobicContact CD1-CD2 4.28Å; I374-L378 HydrophobicContact CB-CD2 4.49Å; I374-L378 HydrophobicContact CG1-CD2 4.42Å; I374-L378 HydrophobicContact CG2-CD2 4.26Å; T375-L378 WeakPolarHBondContact O-CB 3.44Å; T375-L378 PolarHBondContact O-N 2.96Å; T375-L378 VanDerWaalsContact O-N 3.11Å |
| 379 | I | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.2 | 175.7 | -64.5 | 160.2 | 0 | 0 | 0 | 108.6 | S303 F304 I306 A313 F316 L317 I331 L381 | S303-I379 CarbonylContact C-O 3.55Å; S303-I379 VanDerWaalsContact CA-O 3.26Å; S303-I379 WeakPolarHBondContact CA-O 3.06Å; F304-I379 HydrophobicContact CD1-CB 4.03Å; F304-I379 HydrophobicContact CD1-CG2 4.15Å; F304-I379 HydrophobicContact CE1-CB 3.58Å; F304-I379 HydrophobicContact CE1-CD1 4.21Å; F304-I379 HydrophobicContact CE1-CG2 3.38Å; F304-I379 HydrophobicContact CE2-CB 4.33Å; F304-I379 HydrophobicContact CE2-CD1 3.69Å; F304-I379 HydrophobicContact CZ-CB 3.76Å; F304-I379 HydrophobicContact CZ-CD1 3.46Å; F304-I379 VanDerWaalsContact CZ-CD1 3.46Å; F304-I379 HydrophobicContact CZ-CG1 4.22Å; F304-I379 HydrophobicContact CZ-CG2 3.76Å; F304-I379 PolarHBondContact N-O 3.35Å; F304-I379 PolarHBondContact O-N 3.42Å; I306-I379 HydrophobicContact CB-CD1 3.93Å; I306-I379 HydrophobicContact CD1-CD1 4.42Å; I306-I379 HydrophobicContact CG2-CD1 3.87Å; A313-I379 HydrophobicContact CB-CD1 4.44Å; F316-I379 HydrophobicContact CD1-CD1 3.48Å; F316-I379 VanDerWaalsContact CD1-CD1 3.48Å; F316-I379 HydrophobicContact CD1-CG1 4.49Å; F316-I379 HydrophobicContact CE1-CD1 3.84Å; F316-I379 HydrophobicContact CE1-CG2 4.03Å; F316-I379 HydrophobicContact CG-CD1 4.2Å; L317-I379 HydrophobicContact CD2-CG2 4.47Å; I331-I379 HydrophobicContact CD1-CG1 4.41Å; I331-I379 HydrophobicContact CG1-CG1 3.96Å; I379-L381 HydrophobicContact CG2-CD2 3.86Å; I379-L381 HydrophobicContact CG2-CG 4.45Å |
| 380 | R | 92.5 | Very high | 89.2 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.1 | 172.7 | -170.6 | -166.4 | 81.9 | 173 | 22 | 110.1 | N149 M301 S303 Y330 | N149-R380 PolarHBondContact ND2-NH1 2.68Å; N149-R380 PolarHBondContact OD1-NH1 3.38Å; M301-R380 HydrophobicContact CE-CG 3.81Å; S303-R380 WeakPolarHBondContact OG-CG 3.22Å; Y330-R380 VanDerWaalsContact CD2-CZ 3.42Å; Y330-R380 PolarHBondContact N-O 3.08Å; Y330-R380 VanDerWaalsContact N-O 3.12Å; Y330-R380 PolarHBondContact O-N 3.4Å |
| 381 | L | 93 | Very high | 89.8 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.8 | 175.1 | -51.8 | -178.7 | 0 | 0 | 0 | 109.9 | V264 L268 M301 V302 F304 L329 I379 V383 L395 | V264-L381 HydrophobicContact CG1-CD1 3.88Å; L268-L381 HydrophobicContact CD1-CD1 3.9Å; M301-L381 WeakPolarHBondContact CE-O 3.47Å; V302-L381 HydrophobicContact CB-CB 4.39Å; V302-L381 PolarHBondContact N-O 3.16Å; V302-L381 PolarHBondContact O-N 3.39Å; F304-L381 HydrophobicContact CD1-CD1 4.33Å; F304-L381 HydrophobicContact CD1-CG 4.37Å; F304-L381 HydrophobicContact CE1-CD1 3.88Å; F304-L381 HydrophobicContact CE1-CD2 4.16Å; F304-L381 HydrophobicContact CE1-CG 3.93Å; L329-L381 HydrophobicContact CD1-CD2 4.04Å; L329-L381 HydrophobicContact CD2-CD2 3.59Å; L329-L381 HydrophobicContact CG-CD2 3.64Å; I379-L381 HydrophobicContact CG2-CD2 3.86Å; I379-L381 HydrophobicContact CG2-CG 4.45Å; L381-V383 HydrophobicContact CB-CG2 4.22Å; L381-L395 HydrophobicContact CD1-CD1 4.42Å; L381-L395 HydrophobicContact CD1-CD2 3.91Å |
| 382 | S | 93.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 88.2 | 164.3 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | I326 G384 | I326-S382 WeakPolarHBondContact CG2-O 3.26Å; S382-G384 PolarHBondContact O-N 3.48Å |
| 383 | V | 94.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | trans | -66.6 | 125.5 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | H257 N260 V264 G300 V302 L381 L391 | H257-V383 PolarHBondContact CE1-O 3.07Å; H257-V383 PolarHBondContact ND1-O 3.07Å; N260-V383 HydrophobicContact CB-CG1 3.52Å; V264-V383 HydrophobicContact CB-CG2 4.03Å; V264-V383 HydrophobicContact CG1-CG2 3.93Å; V264-V383 HydrophobicContact CG2-CG1 3.88Å; V264-V383 HydrophobicContact CG2-CG2 4.1Å; G300-V383 VanDerWaalsContact O-CB 3.31Å; G300-V383 WeakPolarHBondContact O-CB 3.24Å; G300-V383 WeakPolarHBondContact O-CG2 3.43Å; G300-V383 PolarHBondContact O-N 3.27Å; V302-V383 HydrophobicContact CB-CG2 4.4Å; V302-V383 HydrophobicContact CG2-CG2 3.81Å; L381-V383 HydrophobicContact CB-CG2 4.22Å; V383-L391 HydrophobicContact CG1-CD1 3.93Å | ||
| 384 | G | 91 | Very high | 91.8 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | trans | -86.4 | -151.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H257 N260 S382 E386 | H257-G384 PolarHBondContact ND1-O 2.87Å; N260-G384 PolarHBondContact ND2-O 3.41Å; S382-G384 PolarHBondContact O-N 3.48Å; G384-E386 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 385 | L | 94.1 | Very high | 92.3 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 45% | 0.45 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -112.5 | 9 | -174.4 | -51.6 | 178 | 0 | 0 | 0 | 112.4 | R253 A256 | R253-L385 HydrophobicContact CB-CD1 4.13Å; R253-L385 HydrophobicContact CB-CD2 4.24Å; R253-L385 HydrophobicContact CG-CD1 3.7Å; R253-L385 WeakPolarHBondContact O-CD2 3.35Å; A256-L385 HydrophobicContact CB-CD2 3.66Å |
| 386 | E | 93 | Very high | 92.8 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -65.3 | 170.6 | 177 | -58.9 | 85.1 | 170.2 | 0 | 0 | 111.5 | N260 V322 I326 G384 L391 | N260-E386 PolarHBondContact ND2-O 2.97Å; V322-E386 HydrophobicContact CG1-CG 4.32Å; I326-E386 WeakPolarHBondContact CG1-OE1 3.38Å; G384-E386 WeakPolarHBondContact CA-OE2 3.49Å; E386-L391 HydrophobicContact CB-CD1 4.29Å; E386-L391 HydrophobicContact CB-CD2 4.04Å; E386-L391 HydrophobicContact CB-CG 4.01Å; E386-L391 HydrophobicContact CG-CD2 4.47Å |
| 387 | D | 93.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 36.5 Ų | 36.5 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | trans | -61.2 | 131.5 | 175.4 | -169.3 | -78.5 | 0 | 0 | 0 | 110.8 | E389 D390 L391 | D387-E389 PolarHBondContact O-N 3.36Å; D387-E389 WeakPolarHBondContact OD1-CB 3.37Å; D387-E389 PolarHBondContact OD1-N 3.4Å; D387-D390 HydrophobicContact CB-CB 4.28Å; D387-D390 PolarHBondContact O-N 3.04Å; D387-L391 WeakPolarHBondContact O-CG 3.42Å; D387-L391 PolarHBondContact O-N 3.16Å; D387-L391 VanDerWaalsContact O-N 3.11Å | ||
| 388 | P | 92.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -34.7 | -179.7 | -20.9 | 25.8 | 0 | 0 | 0 | 114.2 | N260 E263 K392 | N260-P388 WeakPolarHBondContact OD1-CG 3.41Å; E263-P388 HydrophobicContact CB-CB 4.3Å; E263-P388 HydrophobicContact CG-CB 4.16Å; P388-K392 WeakPolarHBondContact O-CB 3.25Å; P388-K392 VanDerWaalsContact O-CE 3.31Å; P388-K392 WeakPolarHBondContact O-CE 3.3Å; P388-K392 WeakPolarHBondContact O-CG 3.15Å; P388-K392 PolarHBondContact O-N 3.05Å |
| 389 | E | 95 | Very high | 93.5 | Very high | 114 Ų | 114 | 35.5 Ų | 35.5 | 53% | 0.533 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -72.9 | -39 | -179.1 | -63.4 | -54.9 | 139.2 | 0 | 0 | 111.6 | D387 L391 K392 A393 | D387-E389 PolarHBondContact O-N 3.36Å; D387-E389 WeakPolarHBondContact OD1-CB 3.37Å; D387-E389 PolarHBondContact OD1-N 3.4Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 3.22Å; E389-K392 VanDerWaalsContact CD-CE 3.48Å; E389-K392 PolarHBondContact O-N 3.41Å; E389-K392 WeakPolarHBondContact OE1-CE 3.32Å; E389-K392 IonicContact OE1-NZ 2.69Å; E389-K392 PolarHBondContact OE1-NZ 3.28Å; E389-K392 WeakPolarHBondContact OE2-CE 3.43Å; E389-K392 IonicContact OE2-NZ 2.63Å; E389-A393 VanDerWaalsContact O-CB 3.25Å; E389-A393 WeakPolarHBondContact O-CB 3.35Å; E389-A393 PolarHBondContact O-N 2.9Å |
| 390 | D | 93.8 | Very high | 93.6 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 174.5 | -73.1 | -22.6 | 0 | 0 | 0 | 111.1 | D387 A393 D394 | D387-D390 HydrophobicContact CB-CB 4.28Å; D387-D390 PolarHBondContact O-N 3.04Å; D390-A393 PolarHBondContact O-N 3.41Å; D390-D394 WeakPolarHBondContact O-CB 3.48Å; D390-D394 PolarHBondContact O-N 2.85Å |
| 391 | L | 92.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -49 | 175.3 | -68.9 | 172.4 | 0 | 0 | 0 | 111.5 | N260 V264 V322 V383 E386 D387 E389 D394 L395 | N260-L391 HydrophobicContact CB-CD1 4.14Å; V264-L391 HydrophobicContact CG2-CB 4.28Å; V322-L391 HydrophobicContact CG1-CD2 4.44Å; V383-L391 HydrophobicContact CG1-CD1 3.93Å; E386-L391 HydrophobicContact CB-CD1 4.29Å; E386-L391 HydrophobicContact CB-CD2 4.04Å; E386-L391 HydrophobicContact CB-CG 4.01Å; E386-L391 HydrophobicContact CG-CD2 4.47Å; D387-L391 WeakPolarHBondContact O-CG 3.42Å; D387-L391 PolarHBondContact O-N 3.16Å; D387-L391 VanDerWaalsContact O-N 3.11Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 3.22Å; L391-D394 PolarHBondContact O-N 3.39Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.29Å; L391-L395 PolarHBondContact O-N 3.44Å; L391-L395 VanDerWaalsContact O-N 3.08Å |
| 392 | K | 94.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 12% | 0.122 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.3 | -73.9 | -179.8 | -64.8 | -167.9 | 0 | 111.7 | E263 F267 P388 E389 L395 D396 | E263-K392 IonicContact OE2-NZ 2.74Å; E263-K392 PolarHBondContact OE2-NZ 2.89Å; F267-K392 HydrophobicContact CB-CD 4Å; F267-K392 HydrophobicContact CB-CG 3.97Å; F267-K392 HydrophobicContact CD1-CG 4.46Å; F267-K392 HydrophobicContact CD2-CB 4.32Å; F267-K392 HydrophobicContact CD2-CD 4.32Å; F267-K392 HydrophobicContact CD2-CG 4.24Å; F267-K392 HydrophobicContact CG-CB 4.36Å; F267-K392 HydrophobicContact CG-CD 4.27Å; F267-K392 HydrophobicContact CG-CG 3.95Å; P388-K392 WeakPolarHBondContact O-CB 3.25Å; P388-K392 VanDerWaalsContact O-CE 3.31Å; P388-K392 WeakPolarHBondContact O-CE 3.3Å; P388-K392 WeakPolarHBondContact O-CG 3.15Å; P388-K392 PolarHBondContact O-N 3.05Å; E389-K392 VanDerWaalsContact CD-CE 3.48Å; E389-K392 PolarHBondContact O-N 3.41Å; E389-K392 WeakPolarHBondContact OE1-CE 3.32Å; E389-K392 IonicContact OE1-NZ 2.69Å; E389-K392 PolarHBondContact OE1-NZ 3.28Å; E389-K392 WeakPolarHBondContact OE2-CE 3.43Å; E389-K392 IonicContact OE2-NZ 2.63Å; K392-L395 PolarHBondContact O-N 3.18Å; K392-D396 WeakPolarHBondContact O-CB 3.32Å; K392-D396 PolarHBondContact O-N 2.98Å |
| 393 | A | 95.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E389 D390 N397 | E389-A393 VanDerWaalsContact O-CB 3.25Å; E389-A393 WeakPolarHBondContact O-CB 3.35Å; E389-A393 PolarHBondContact O-N 2.9Å; D390-A393 PolarHBondContact O-N 3.41Å; A393-N397 WeakPolarHBondContact O-CB 3.46Å; A393-N397 VanDerWaalsContact O-CG 3.23Å; A393-N397 PolarHBondContact O-N 3.27Å; A393-N397 PolarHBondContact O-ND2 3.36Å |
| 394 | D | 93.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.6 | -165.3 | 43.1 | 0 | 0 | 0 | 111.2 | K321 V322 S323 D390 L391 A398 | K321-D394 PolarHBondContact N-OD1 2.9Å; K321-D394 PolarHBondContact N-OD2 3Å; V322-D394 HydrophobicContact CB-CB 3.93Å; V322-D394 WeakPolarHBondContact CB-OD2 3.44Å; V322-D394 HydrophobicContact CG2-CB 3.91Å; V322-D394 VanDerWaalsContact N-CG 3.31Å; V322-D394 PolarHBondContact N-OD1 3.36Å; V322-D394 PolarHBondContact N-OD2 3.35Å; S323-D394 PolarHBondContact N-OD2 2.99Å; S323-D394 PolarHBondContact OG-OD2 2.91Å; S323-D394 VanDerWaalsContact OG-OD2 3.13Å; D390-D394 WeakPolarHBondContact O-CB 3.48Å; D390-D394 PolarHBondContact O-N 2.85Å; L391-D394 PolarHBondContact O-N 3.39Å; D394-A398 VanDerWaalsContact O-CB 3.3Å; D394-A398 WeakPolarHBondContact O-CB 3.38Å; D394-A398 PolarHBondContact O-N 3.21Å |
| 395 | L | 94.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.6 | -68.1 | 170.9 | 0 | 0 | 0 | 112.1 | V264 F267 F316 L320 L381 L391 K392 A398 L399 | V264-L395 HydrophobicContact CB-CD1 4.32Å; V264-L395 HydrophobicContact CG1-CD1 3.61Å; V264-L395 HydrophobicContact CG2-CD1 3.96Å; F267-L395 HydrophobicContact CD1-CB 4.36Å; F267-L395 HydrophobicContact CD1-CD1 4.4Å; F267-L395 HydrophobicContact CE1-CB 3.85Å; F316-L395 HydrophobicContact CE2-CD2 4.17Å; F316-L395 HydrophobicContact CZ-CD2 3.7Å; L320-L395 HydrophobicContact CD2-CD2 4.09Å; L381-L395 HydrophobicContact CD1-CD1 4.42Å; L381-L395 HydrophobicContact CD1-CD2 3.91Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.29Å; L391-L395 PolarHBondContact O-N 3.44Å; L391-L395 VanDerWaalsContact O-N 3.08Å; K392-L395 PolarHBondContact O-N 3.18Å; L395-A398 PolarHBondContact O-N 3.32Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 WeakPolarHBondContact O-CD1 3.45Å; L395-L399 VanDerWaalsContact O-CG 3.22Å; L395-L399 WeakPolarHBondContact O-CG 3.29Å; L395-L399 PolarHBondContact O-N 2.7Å |
| 396 | D | 95.6 | Very high | 86.6 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 177.5 | -176.5 | 51.2 | 0 | 0 | 0 | 111.7 | F267 H271 K392 A398 L399 K400 | F267-D396 HydrophobicContact CE1-CB 4.5Å; F267-D396 HydrophobicContact CE2-CB 4.37Å; F267-D396 HydrophobicContact CZ-CB 3.66Å; H271-D396 IonicContact CD2-OD1 3.25Å; H271-D396 IonicContact NE2-OD1 2.85Å; H271-D396 PolarHBondContact NE2-OD1 2.99Å; K392-D396 WeakPolarHBondContact O-CB 3.32Å; K392-D396 PolarHBondContact O-N 2.98Å; D396-A398 VanDerWaalsContact C-N 3.35Å; D396-A398 PolarHBondContact O-N 3.34Å; D396-L399 PolarHBondContact O-N 3.43Å; D396-K400 WeakPolarHBondContact O-CB 3Å; D396-K400 WeakPolarHBondContact O-CG 3.37Å; D396-K400 PolarHBondContact O-N 3.32Å; D396-K400 WeakPolarHBondContact OD1-CE 3.42Å; D396-K400 IonicContact OD1-NZ 2.89Å; D396-K400 PolarHBondContact OD1-NZ 3.39Å; D396-K400 VanDerWaalsContact OD2-CE 3.28Å; D396-K400 WeakPolarHBondContact OD2-CE 3.03Å; D396-K400 IonicContact OD2-NZ 3.27Å; D396-K400 PolarHBondContact OD2-NZ 3.23Å |
| 397 | N | 94 | Very high | 83.8 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.9 | -74.7 | -42.2 | 0 | 0 | 0 | 111.7 | A393 K400 A401 | A393-N397 WeakPolarHBondContact O-CB 3.46Å; A393-N397 VanDerWaalsContact O-CG 3.23Å; A393-N397 PolarHBondContact O-N 3.27Å; A393-N397 PolarHBondContact O-ND2 3.36Å; N397-K400 PolarHBondContact O-N 2.84Å; N397-A401 PolarHBondContact O-N 3.19Å |
| 398 | A | 92.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F316 L320 D394 L395 D396 A401 | F316-A398 HydrophobicContact CD2-CB 3.59Å; F316-A398 HydrophobicContact CE2-CB 3.68Å; F316-A398 HydrophobicContact CG-CB 4.41Å; L320-A398 HydrophobicContact CD2-CB 3.48Å; L320-A398 VanDerWaalsContact CD2-CB 3.48Å; L320-A398 HydrophobicContact CG-CB 3.79Å; D394-A398 VanDerWaalsContact O-CB 3.3Å; D394-A398 WeakPolarHBondContact O-CB 3.38Å; D394-A398 PolarHBondContact O-N 3.21Å; L395-A398 PolarHBondContact O-N 3.32Å; D396-A398 VanDerWaalsContact C-N 3.35Å; D396-A398 PolarHBondContact O-N 3.34Å; A398-A401 PolarHBondContact O-N 3.49Å |
| 399 | L | 94.5 | Very high | 78 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.1 | -47.5 | 174.4 | -74.7 | 163.6 | 0 | 0 | 0 | 110.6 | F267 L268 H271 L273 V274 I306 F316 L395 D396 A401 T402 | F267-L399 HydrophobicContact CE1-CD1 4.23Å; L268-L399 HydrophobicContact CD2-CD1 3.92Å; H271-L399 HydrophobicContact CB-CD1 4.44Å; L273-L399 HydrophobicContact CB-CD2 4.26Å; L273-L399 HydrophobicContact CD1-CB 4.16Å; L273-L399 WeakPolarHBondContact CD1-O 3.41Å; V274-L399 HydrophobicContact CG2-CD1 4.25Å; V274-L399 HydrophobicContact CG2-CD2 4.2Å; I306-L399 HydrophobicContact CD1-CD2 3.8Å; I306-L399 HydrophobicContact CG1-CD2 4.07Å; F316-L399 HydrophobicContact CD2-CD2 3.86Å; F316-L399 HydrophobicContact CD2-CG 3.87Å; F316-L399 HydrophobicContact CE2-CD2 4.04Å; F316-L399 HydrophobicContact CE2-CG 3.79Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 WeakPolarHBondContact O-CD1 3.45Å; L395-L399 VanDerWaalsContact O-CG 3.22Å; L395-L399 WeakPolarHBondContact O-CG 3.29Å; L395-L399 PolarHBondContact O-N 2.7Å; D396-L399 PolarHBondContact O-N 3.43Å; L399-A401 PolarHBondContact O-N 3.36Å; L399-T402 WeakPolarHBondContact O-CB 3.43Å; L399-T402 PolarHBondContact O-N 3.02Å; L399-T402 PolarHBondContact O-OG1 3.39Å |
| 400 | K | 94.7 | Very high | 77.2 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 47% | 0.47 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -35.3 | 176.6 | -75.3 | 170 | 177.2 | 168.1 | 0 | 112.5 | D396 N397 T402 Q403 | D396-K400 WeakPolarHBondContact O-CB 3Å; D396-K400 WeakPolarHBondContact O-CG 3.37Å; D396-K400 PolarHBondContact O-N 3.32Å; D396-K400 WeakPolarHBondContact OD1-CE 3.42Å; D396-K400 IonicContact OD1-NZ 2.89Å; D396-K400 PolarHBondContact OD1-NZ 3.39Å; D396-K400 VanDerWaalsContact OD2-CE 3.28Å; D396-K400 WeakPolarHBondContact OD2-CE 3.03Å; D396-K400 IonicContact OD2-NZ 3.27Å; D396-K400 PolarHBondContact OD2-NZ 3.23Å; N397-K400 PolarHBondContact O-N 2.84Å; K400-T402 PolarHBondContact O-N 3.39Å; K400-T402 VanDerWaalsContact O-N 3.16Å; K400-Q403 WeakPolarHBondContact O-CB 3.39Å; K400-Q403 PolarHBondContact O-N 3.35Å |
| 401 | A | 92.8 | Very high | 76.3 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | T315 S319 N397 A398 L399 | T315-A401 WeakPolarHBondContact CG2-O 3.44Å; S319-A401 VanDerWaalsContact OG-CB 3.3Å; S319-A401 WeakPolarHBondContact OG-CB 3.48Å; N397-A401 PolarHBondContact O-N 3.19Å; A398-A401 PolarHBondContact O-N 3.49Å; L399-A401 PolarHBondContact O-N 3.36Å |
| 402 | T | 91.3 | Very high | 75.4 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.7 | 174.8 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | I306 E312 T315 F316 L399 K400 C404 | I306-T402 HydrophobicContact CD1-CG2 3.85Å; E312-T402 HydrophobicContact CB-CG2 4.38Å; E312-T402 VanDerWaalsContact O-CG2 3.27Å; E312-T402 WeakPolarHBondContact O-CG2 3.03Å; T315-T402 HydrophobicContact CG2-CG2 4.32Å; F316-T402 HydrophobicContact CB-CG2 3.7Å; L399-T402 WeakPolarHBondContact O-CB 3.43Å; L399-T402 PolarHBondContact O-N 3.02Å; L399-T402 PolarHBondContact O-OG1 3.39Å; K400-T402 PolarHBondContact O-N 3.39Å; K400-T402 VanDerWaalsContact O-N 3.16Å; T402-C404 PolarHBondContact O-N 3.45Å |
| 403 | Q | 83.8 | Confident | 74.3 | Confident | 109 Ų | 109 | 78.4 Ų | 78.4 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | trans | -77.3 | 78.1 | 170.5 | -66.7 | -179.3 | -17.9 | 0 | 0 | 108.8 | L273 K400 F405 | L273-Q403 HydrophobicContact CD1-CG 3.57Å; L273-Q403 HydrophobicContact CD2-CG 3.81Å; L273-Q403 HydrophobicContact CG-CG 4.28Å; K400-Q403 WeakPolarHBondContact O-CB 3.39Å; K400-Q403 PolarHBondContact O-N 3.35Å; Q403-F405 PolarHBondContact O-N 3.26Å; Q403-F405 VanDerWaalsContact O-N 3.09Å | ||
| 404 | C | 59.3 | Low | 73 | Confident | 102 Ų | 102 | 80.4 Ų | 80.4 | 69% | 0.689 | 45% | 0.453 | S | S | * | . | trans | -63 | 112.5 | 162.2 | -74.5 | 0 | 0 | 0 | 0 | 107.5 | T402 P406 | T402-C404 PolarHBondContact O-N 3.45Å; C404-P406 WeakPolarHBondContact O-CD 3.29Å; C404-P406 VanDerWaalsContact O-N 3.13Å | ||
| 405 | F | 46.7 | Very low | 71.7 | Confident | 188 Ų | 188 | 85.3 Ų | 85.3 | 83% | 0.825 | 48% | 0.48 | S | S | * | . | trans | -49.2 | 119.4 | 162.7 | -73.1 | -86.7 | 0 | 0 | 0 | 108.1 | Q403 N407 | Q403-F405 PolarHBondContact O-N 3.26Å; Q403-F405 VanDerWaalsContact O-N 3.09Å; F405-N407 PolarHBondContact O-N 3.4Å; F405-N407 VanDerWaalsContact O-N 3.09Å | ||
| 406 | P | 37.5 | Very low | 70 | Confident | 114 Ų | 114 | 91.1 Ų | 91.1 | 74% | 0.74 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -65 | 115.7 | 163.4 | 27.4 | -27.9 | 0 | 0 | 0 | 105.6 | C404 | C404-P406 WeakPolarHBondContact O-CD 3.29Å; C404-P406 VanDerWaalsContact O-N 3.13Å |
| 407 | N | 33.3 | Very low | 68.1 | Low | 147 Ų | 147 | 95.3 Ų | 95.3 | 79% | 0.786 | 54% | 0.538 | S | S | * | . | trans | 89.9 | 96.6 | 175.5 | -43.3 | -34.5 | 0 | 0 | 0 | 115.2 | F405 | F405-N407 PolarHBondContact O-N 3.4Å; F405-N407 VanDerWaalsContact O-N 3.09Å | ||
| 408 | G | 32.2 | Very low | 65.9 | Low | 74 Ų | 74 | 95 Ų | 95 | 76% | 0.763 | 54% | 0.538 | S | S | * | . | trans | -57.3 | 138 | 140.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 409 | I | 32.2 | Very low | 63.5 | Low | 243 Ų | 243 | 103.6 Ų | 103.6 | 100% | 1.246 | 59% | 0.587 | S | S | * | * | trans | -52.9 | 0 | 160.2 | -61.1 | 169.9 | 0 | 0 | 0 | 109.1 |
Retrieved 409 of 409 residues in 445.6 ms
(Link to these results)