| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 71.3 | Confident | 91.1 | Very high | 238 Ų | 238 | 80.5 Ų | 80.5 | 100% | 1.172 | 48% | 0.478 | S | S | * | . | 0 | 140.7 | 0 | -74 | -158.6 | -125 | 0 | 0 | 107.6 | |||||
| 2 | L | 86.1 | Confident | 91.7 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.089 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 158 | 174.7 | -63.9 | 176.3 | 0 | 0 | 0 | 110.7 | C6 V13 I25 Q28 V29 | L2-C6 HydrophobicContact CB-CB 3.72Å; L2-C6 HydrophobicContact CD1-CB 4.23Å; L2-V13 HydrophobicContact CD1-CB 4.47Å; L2-V13 HydrophobicContact CD1-CG1 3.37Å; L2-V13 HydrophobicContact CD1-CG2 4.25Å; L2-I25 HydrophobicContact CD2-CG1 4.48Å; L2-Q28 HydrophobicContact CD2-CB 3.27Å; L2-Q28 HydrophobicContact CD2-CG 4.32Å; L2-V29 HydrophobicContact CD1-CG2 3.99Å; L2-V29 HydrophobicContact CD2-CG2 4.3Å |
| 3 | A | 86.3 | Confident | 92.1 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C6 F20 | A3-C6 WeakPolarHBondContact O-CB 3.07Å; A3-C6 PolarHBondContact O-N 2.81Å; A3-C6 PolarHBondContact O-SG 2.81Å; A3-F20 HydrophobicContact CB-CE1 3.99Å; A3-F20 HydrophobicContact CB-CZ 4.25Å |
| 4 | S | 88.7 | Confident | 92.5 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 78% | 0.783 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 139.2 | 167.6 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 5 | P | 92.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96.6 | 23.2 | 13.3 | 38.3 | -37.2 | 0 | 0 | 0 | 115.4 | K7 I16 G18 | P5-K7 PolarHBondContact O-N 3.23Å; P5-I16 WeakPolarHBondContact CG-O 3.49Å; P5-G18 VanDerWaalsContact CD-CA 3.45Å |
| 6 | C | 96.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 14% | 0.135 | 38% | 0.375 | C | S | . | . | trans | -63.7 | 129.2 | -175.5 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | L2 A3 E14 C15 | L2-C6 HydrophobicContact CB-CB 3.72Å; L2-C6 HydrophobicContact CD1-CB 4.23Å; A3-C6 WeakPolarHBondContact O-CB 3.07Å; A3-C6 PolarHBondContact O-N 2.81Å; A3-C6 PolarHBondContact O-SG 2.81Å; C6-E14 CarbonylContact C-O 3.47Å; C6-E14 WeakPolarHBondContact CA-O 3.49Å; C6-C15 HydrophobicContact CB-CB 4.19Å; C6-C15 WeakPolarHBondContact CB-SG 3.2Å; C6-C15 WeakPolarHBondContact SG-CB 3.05Å; C6-C15 CovalentContact SG-SG 2.03Å; C6-C15 PolarHBondContact SG-SG 3.32Å | ||
| 7 | K | 96.8 | Very high | 93.4 | Very high | 153 Ų | 153 | 67.6 Ų | 67.6 | 67% | 0.665 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.8 | 170.7 | -64.1 | 179.4 | -176.3 | 174.9 | 0 | 109.3 | P5 E14 | P5-K7 PolarHBondContact O-N 3.23Å; K7-E14 HydrophobicContact CB-CB 4.49Å; K7-E14 PolarHBondContact N-O 2.74Å; K7-E14 PolarHBondContact O-N 2.96Å |
| 8 | C | 96.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.6 | -172.8 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | S12 F34 | C8-S12 WeakPolarHBondContact CA-O 3.22Å; C8-F34 HydrophobicContact CB-CE1 3.95Å; C8-F34 HydrophobicContact CB-CZ 4.18Å |
| 9 | T | 96.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 72.1 Ų | 72.1 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | trans | -125.2 | 179.8 | 167 | 75.5 | 0 | 0 | 0 | 0 | 109.2 | V11 S12 | T9-V11 PolarHBondContact O-N 2.03Å; T9-V11 PolarHBondContact OG1-N 2.79Å; T9-S12 PolarHBondContact N-O 3.36Å; T9-S12 PolarHBondContact OG1-N 3.23Å; T9-S12 PolarHBondContact OG1-OG 3Å | ||
| 10 | A | 94.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -63.4 | -22.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F36 | A10-F36 CarbonylContact O-C 3.47Š|
| 11 | V | 97.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -120.4 | -7.5 | -172.9 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | T9 F36 E38 R39 | T9-V11 PolarHBondContact O-N 2.03Å; T9-V11 PolarHBondContact OG1-N 2.79Å; V11-F36 HydrophobicContact CG1-CB 4.28Å; V11-E38 HydrophobicContact CB-CG 4.44Å; V11-E38 PolarHBondContact O-N 2.94Å; V11-R39 PolarHBondContact O-N 3.28Å; V11-R39 VanDerWaalsContact O-N 3.07Å |
| 12 | S | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.1 | -178.2 | 67.5 | 0 | 0 | 0 | 0 | 114 | C8 T9 R39 | C8-S12 WeakPolarHBondContact CA-O 3.22Å; T9-S12 PolarHBondContact N-O 3.36Å; T9-S12 PolarHBondContact OG1-N 3.23Å; T9-S12 PolarHBondContact OG1-OG 3Å; S12-R39 VanDerWaalsContact CA-O 3.22Å; S12-R39 WeakPolarHBondContact CA-O 3.45Å |
| 13 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.2 | 167.8 | 168.6 | 0 | 0 | 0 | 0 | 108.4 | L2 V29 F34 L37 R39 V40 T41 F42 | L2-V13 HydrophobicContact CD1-CB 4.47Å; L2-V13 HydrophobicContact CD1-CG1 3.37Å; L2-V13 HydrophobicContact CD1-CG2 4.25Å; V13-V29 HydrophobicContact CG1-CG2 4.18Å; V13-V29 HydrophobicContact CG2-CG1 4.16Å; V13-F34 HydrophobicContact CG2-CD1 3.95Å; V13-F34 HydrophobicContact CG2-CD2 4.31Å; V13-F34 HydrophobicContact CG2-CE1 3.68Å; V13-F34 HydrophobicContact CG2-CE2 4.05Å; V13-F34 HydrophobicContact CG2-CG 4.26Å; V13-F34 HydrophobicContact CG2-CZ 3.72Å; V13-L37 HydrophobicContact CB-CD1 4.39Å; V13-L37 HydrophobicContact CG2-CD1 3.91Å; V13-R39 PolarHBondContact N-O 3.19Å; V13-V40 HydrophobicContact CB-CG2 4.47Å; V13-V40 CarbonylContact O-C 3.46Å; V13-V40 WeakPolarHBondContact O-CA 3.46Å; V13-T41 PolarHBondContact O-N 2.82Å; V13-F42 HydrophobicContact CG1-CE2 4.26Å; V13-F42 HydrophobicContact CG1-CZ 4.44Å |
| 14 | E | 98 | Very high | 95.5 | Very high | 74 Ų | 74 | 67.1 Ų | 67.1 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 108.7 | -178.1 | -68.4 | 173.5 | -162.7 | 0 | 0 | 110.8 | C6 K7 T41 | C6-E14 CarbonylContact C-O 3.47Å; C6-E14 WeakPolarHBondContact CA-O 3.49Å; K7-E14 HydrophobicContact CB-CB 4.49Å; K7-E14 PolarHBondContact N-O 2.74Å; K7-E14 PolarHBondContact O-N 2.96Å; E14-T41 CarbonylContact C-O 3.21Å; E14-T41 WeakPolarHBondContact CA-O 3.22Å |
| 15 | C | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -116.9 | 84.8 | 178.5 | -63.7 | 0 | 0 | 0 | 0 | 109 | C6 F20 T41 F42 Q43 N45 | C6-C15 HydrophobicContact CB-CB 4.19Å; C6-C15 WeakPolarHBondContact CB-SG 3.2Å; C6-C15 WeakPolarHBondContact SG-CB 3.05Å; C6-C15 CovalentContact SG-SG 2.03Å; C6-C15 PolarHBondContact SG-SG 3.32Å; C15-F20 HydrophobicContact CB-CD2 4.37Å; C15-F20 HydrophobicContact CB-CE2 3.94Å; C15-T41 PolarHBondContact N-O 3.23Å; C15-F42 HydrophobicContact CB-CD1 3.48Å; C15-F42 VanDerWaalsContact CB-CD1 3.48Å; C15-F42 HydrophobicContact CB-CE1 3.55Å; C15-F42 HydrophobicContact CB-CG 4.09Å; C15-F42 HydrophobicContact CB-CZ 4.21Å; C15-F42 WeakPolarHBondContact O-CA 3.43Å; C15-F42 WeakPolarHBondContact SG-CE1 3.46Å; C15-Q43 PolarHBondContact O-N 3.24Å; C15-N45 PolarHBondContact O-ND2 3.02Å | ||
| 16 | I | 97.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | trans | -105.3 | 131.6 | -172.5 | -56.2 | 177 | 0 | 0 | 0 | 110.3 | P5 G18 T41 Q43 | P5-I16 WeakPolarHBondContact CG-O 3.49Å; I16-G18 PolarHBondContact O-N 3.35Å; I16-T41 HydrophobicContact CD1-CG2 4.24Å; I16-T41 HydrophobicContact CG1-CG2 3.99Å; I16-Q43 CarbonylContact C-O 3.59Å; I16-Q43 VanDerWaalsContact CA-O 3.27Å; I16-Q43 WeakPolarHBondContact CA-O 3.23Å; I16-Q43 HydrophobicContact CG1-CB 4.39Å | ||
| 17 | N | 96.6 | Very high | 95.6 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 54.6 | 34.7 | 177.1 | -62.8 | -34.5 | 0 | 0 | 0 | 113.6 | R19 Q43 G44 | N17-R19 VanDerWaalsContact C-N 3.32Å; N17-Q43 PolarHBondContact N-O 3.21Å; N17-G44 VanDerWaalsContact CA-O 3.3Å; N17-G44 WeakPolarHBondContact CA-O 3.46Å |
| 18 | G | 94.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | trans | -82.1 | -8.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P5 I16 F20 N45 | P5-G18 VanDerWaalsContact CD-CA 3.45Å; I16-G18 PolarHBondContact O-N 3.35Å; G18-F20 PolarHBondContact O-N 2.85Å; G18-N45 VanDerWaalsContact CA-OD1 3.23Å; G18-N45 WeakPolarHBondContact CA-OD1 3.38Å; G18-N45 PolarHBondContact N-OD1 2.91Å | ||
| 19 | R | 95 | Very high | 95.3 | Very high | 201 Ų | 201 | 57.2 Ų | 57.2 | 76% | 0.758 | 31% | 0.306 | S | S | * | . | trans | 57.6 | 23 | -174 | -52.8 | 176.9 | 178.9 | 169.5 | -1.2 | 112.8 | N17 T21 N45 | N17-R19 VanDerWaalsContact C-N 3.32Å; R19-T21 PolarHBondContact O-N 3.01Å; R19-N45 PolarHBondContact N-OD1 2.77Å | ||
| 20 | F | 96.5 | Very high | 95 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | trans | -63 | 129.6 | 178.2 | -62.1 | -63.6 | 0 | 0 | 0 | 109.9 | A3 C15 G18 I25 N45 N46 F47 | A3-F20 HydrophobicContact CB-CE1 3.99Å; A3-F20 HydrophobicContact CB-CZ 4.25Å; C15-F20 HydrophobicContact CB-CD2 4.37Å; C15-F20 HydrophobicContact CB-CE2 3.94Å; G18-F20 PolarHBondContact O-N 2.85Å; F20-I25 HydrophobicContact CD1-CD1 3.62Å; F20-I25 HydrophobicContact CD2-CD1 3.9Å; F20-I25 HydrophobicContact CE1-CD1 3.41Å; F20-I25 VanDerWaalsContact CE1-CD1 3.41Å; F20-I25 HydrophobicContact CE2-CD1 3.72Å; F20-I25 HydrophobicContact CG-CD1 3.87Å; F20-I25 HydrophobicContact CZ-CD1 3.47Å; F20-I25 VanDerWaalsContact CZ-CD1 3.47Å; F20-N45 HydrophobicContact CB-CB 4.17Å; F20-N45 WeakPolarHBondContact CD2-OD1 3.47Å; F20-N45 PolarHBondContact N-OD1 3.24Å; F20-N46 CarbonylContact O-C 3.43Å; F20-N46 VanDerWaalsContact O-CA 3.31Å; F20-N46 WeakPolarHBondContact O-CA 3.43Å; F20-N46 PolarHBondContact O-N 3.06Å; F20-F47 HydrophobicContact CB-CE1 3.72Å; F20-F47 HydrophobicContact CB-CE2 4.29Å; F20-F47 HydrophobicContact CB-CZ 3.46Å; F20-F47 VanDerWaalsContact CB-CZ 3.46Å; F20-F47 HydrophobicContact CG-CZ 4.4Å; F20-F47 PolarHBondContact O-N 2.77Å | ||
| 21 | T | 95.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 60% | 0.595 | 29% | 0.291 | S | S | * | . | trans | -107.9 | -30.6 | 174.3 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | R19 N46 | R19-T21 PolarHBondContact O-N 3.01Å; T21-N46 HydrophobicContact CG2-CB 3.56Å | ||
| 22 | D | 93.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | trans | -89.8 | 124.1 | -174 | -168.5 | -15.2 | 0 | 0 | 0 | 111.3 | D24 I25 F47 | D22-D24 PolarHBondContact O-N 3.26Å; D22-D24 WeakPolarHBondContact OD1-CB 3.27Å; D22-D24 PolarHBondContact OD1-N 3.48Å; D22-I25 WeakPolarHBondContact O-CG2 3.23Å; D22-F47 WeakPolarHBondContact O-CE1 2.95Å | ||
| 23 | T | 93.1 | Very high | 94 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.2 | -178.7 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | I25 F26 F47 T49 P51 | T23-I25 PolarHBondContact O-N 2.78Å; T23-I25 VanDerWaalsContact O-N 3.08Å; T23-F26 HydrophobicContact CG2-CD2 4.23Å; T23-F26 HydrophobicContact CG2-CE2 3.89Å; T23-F26 WeakPolarHBondContact O-CB 3.42Å; T23-F26 VanDerWaalsContact O-CD2 3.23Å; T23-F26 WeakPolarHBondContact O-CD2 3.06Å; T23-F26 PolarHBondContact O-N 2.99Å; T23-F47 HydrophobicContact CG2-CD1 4.05Å; T23-T49 WeakPolarHBondContact CG2-O 3.3Å; T23-P51 HydrophobicContact CG2-CG 4.48Å |
| 24 | D | 92.4 | Very high | 93.8 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.6 | -24.2 | 173.2 | -81.1 | -4.4 | 0 | 0 | 0 | 112.9 | D22 F26 L27 | D22-D24 PolarHBondContact O-N 3.26Å; D22-D24 WeakPolarHBondContact OD1-CB 3.27Å; D22-D24 PolarHBondContact OD1-N 3.48Å; D24-F26 PolarHBondContact O-N 3.21Å; D24-L27 WeakPolarHBondContact O-CB 3.19Å; D24-L27 PolarHBondContact O-N 3.22Å |
| 25 | I | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -31.2 | 173.9 | -166.5 | 164.3 | 0 | 0 | 0 | 112.6 | L2 F20 D22 T23 L27 Q28 F42 F47 | L2-I25 HydrophobicContact CD2-CG1 4.48Å; F20-I25 HydrophobicContact CD1-CD1 3.62Å; F20-I25 HydrophobicContact CD2-CD1 3.9Å; F20-I25 HydrophobicContact CE1-CD1 3.41Å; F20-I25 VanDerWaalsContact CE1-CD1 3.41Å; F20-I25 HydrophobicContact CE2-CD1 3.72Å; F20-I25 HydrophobicContact CG-CD1 3.87Å; F20-I25 HydrophobicContact CZ-CD1 3.47Å; F20-I25 VanDerWaalsContact CZ-CD1 3.47Å; D22-I25 WeakPolarHBondContact O-CG2 3.23Å; T23-I25 PolarHBondContact O-N 2.78Å; T23-I25 VanDerWaalsContact O-N 3.08Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.21Å; I25-Q28 WeakPolarHBondContact O-CB 3.39Å; I25-Q28 PolarHBondContact O-N 2.88Å; I25-F42 HydrophobicContact CB-CE1 4.45Å; I25-F42 HydrophobicContact CD1-CE1 4.05Å; I25-F42 HydrophobicContact CG1-CE1 3.99Å; I25-F42 HydrophobicContact CG1-CZ 4.34Å; I25-F42 HydrophobicContact CG2-CD1 4.4Å; I25-F42 HydrophobicContact CG2-CE1 3.67Å; I25-F42 HydrophobicContact CG2-CZ 4.33Å; I25-F47 HydrophobicContact CG2-CE1 4Å; I25-F47 HydrophobicContact CG2-CZ 3.73Å |
| 26 | F | 94.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 175.5 | -59 | -55 | 0 | 0 | 0 | 111.5 | T23 D24 Q28 V29 F42 F47 V54 F55 L69 F74 | T23-F26 HydrophobicContact CG2-CD2 4.23Å; T23-F26 HydrophobicContact CG2-CE2 3.89Å; T23-F26 WeakPolarHBondContact O-CB 3.42Å; T23-F26 VanDerWaalsContact O-CD2 3.23Å; T23-F26 WeakPolarHBondContact O-CD2 3.06Å; T23-F26 PolarHBondContact O-N 2.99Å; D24-F26 PolarHBondContact O-N 3.21Å; F26-Q28 PolarHBondContact O-N 2.91Å; F26-V29 WeakPolarHBondContact O-CB 3.35Å; F26-V29 PolarHBondContact O-N 3.43Å; F26-F42 HydrophobicContact CD1-CD1 4.25Å; F26-F42 AromaticContact CD1-CD2 3.84Å; F26-F42 HydrophobicContact CD1-CD2 3.84Å; F26-F42 HydrophobicContact CD1-CE1 4.08Å; F26-F42 AromaticContact CD1-CE2 3.65Å; F26-F42 HydrophobicContact CD1-CE2 3.65Å; F26-F42 HydrophobicContact CD1-CG 4.14Å; F26-F42 AromaticContact CD1-CZ 3.78Å; F26-F42 HydrophobicContact CD1-CZ 3.78Å; F26-F42 HydrophobicContact CE1-CB 3.92Å; F26-F42 AromaticContact CE1-CD1 3.72Å; F26-F42 HydrophobicContact CE1-CD1 3.72Å; F26-F42 AromaticContact CE1-CD2 3.51Å; F26-F42 HydrophobicContact CE1-CD2 3.51Å; F26-F42 HydrophobicContact CE1-CE1 4.02Å; F26-F42 AromaticContact CE1-CE2 3.82Å; F26-F42 HydrophobicContact CE1-CE2 3.82Å; F26-F42 AromaticContact CE1-CG 3.45Å; F26-F42 HydrophobicContact CE1-CG 3.45Å; F26-F42 VanDerWaalsContact CE1-CG 3.45Å; F26-F42 HydrophobicContact CE1-CZ 4.06Å; F26-F42 HydrophobicContact CZ-CG 4.4Å; F26-F47 HydrophobicContact CE1-CE2 4.17Å; F26-F47 HydrophobicContact CE1-CZ 4.29Å; F26-F47 HydrophobicContact CE2-CD1 4.37Å; F26-F47 HydrophobicContact CE2-CE1 4.31Å; F26-F47 HydrophobicContact CE2-CG 4.5Å; F26-F47 HydrophobicContact CE2-CZ 4.37Å; F26-F47 HydrophobicContact CZ-CD1 4.41Å; F26-F47 AromaticContact CZ-CD2 3.87Å; F26-F47 HydrophobicContact CZ-CD2 3.87Å; F26-F47 HydrophobicContact CZ-CE1 4.23Å; F26-F47 AromaticContact CZ-CE2 3.68Å; F26-F47 HydrophobicContact CZ-CE2 3.68Å; F26-F47 HydrophobicContact CZ-CG 4.25Å; F26-F47 AromaticContact CZ-CZ 3.86Å; F26-F47 HydrophobicContact CZ-CZ 3.86Å; F26-V54 HydrophobicContact CB-CG2 3.96Å; F26-V54 WeakPolarHBondContact CB-O 3.19Å; F26-V54 HydrophobicContact CD1-CG2 4.09Å; F26-V54 HydrophobicContact CD2-CG2 3.45Å; F26-V54 VanDerWaalsContact CD2-CG2 3.45Å; F26-V54 HydrophobicContact CE1-CG2 4.43Å; F26-V54 HydrophobicContact CE2-CG2 3.87Å; F26-V54 HydrophobicContact CG-CG2 3.6Å; F26-V54 HydrophobicContact CZ-CG2 4.35Å; F26-F55 HydrophobicContact CB-CD1 4.23Å; F26-F55 HydrophobicContact CD1-CE1 4.4Å; F26-L69 HydrophobicContact CE1-CD2 4.28Å; F26-L69 HydrophobicContact CZ-CD2 4.39Å; F26-F74 HydrophobicContact CZ-CZ 4.21Å |
| 27 | L | 92.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -18.4 | 178.1 | -56.2 | 179.6 | 0 | 0 | 0 | 112.7 | D24 I25 V29 T30 | D24-L27 WeakPolarHBondContact O-CB 3.19Å; D24-L27 PolarHBondContact O-N 3.22Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.21Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-T30 WeakPolarHBondContact O-CG2 3.23Å |
| 28 | Q | 92.5 | Very high | 93.5 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.6 | 174.1 | -57.7 | 179.6 | 18.4 | 0 | 0 | 112.5 | L2 I25 F26 T30 | L2-Q28 HydrophobicContact CD2-CB 3.27Å; L2-Q28 HydrophobicContact CD2-CG 4.32Å; I25-Q28 WeakPolarHBondContact O-CB 3.39Å; I25-Q28 PolarHBondContact O-N 2.88Å; F26-Q28 PolarHBondContact O-N 2.91Å; Q28-T30 PolarHBondContact O-N 2.95Å |
| 29 | V | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -85.1 | 65.5 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | L2 V13 F26 L27 F34 L37 V40 F42 F55 H61 | L2-V29 HydrophobicContact CD1-CG2 3.99Å; L2-V29 HydrophobicContact CD2-CG2 4.3Å; V13-V29 HydrophobicContact CG1-CG2 4.18Å; V13-V29 HydrophobicContact CG2-CG1 4.16Å; F26-V29 WeakPolarHBondContact O-CB 3.35Å; F26-V29 PolarHBondContact O-N 3.43Å; L27-V29 VanDerWaalsContact C-N 3.31Å; V29-F34 HydrophobicContact CG1-CD2 4.09Å; V29-F34 HydrophobicContact CG1-CE2 4.49Å; V29-L37 HydrophobicContact CG1-CD2 3.46Å; V29-L37 VanDerWaalsContact CG1-CD2 3.46Å; V29-V40 HydrophobicContact CG1-CG2 4.35Å; V29-F42 HydrophobicContact CG2-CE2 4.16Å; V29-F42 HydrophobicContact CG2-CZ 4.05Å; V29-F55 HydrophobicContact CB-CD1 3.85Å; V29-F55 HydrophobicContact CB-CE1 4.08Å; V29-F55 HydrophobicContact CG1-CD1 4.2Å; V29-F55 HydrophobicContact CG1-CE1 4.17Å; V29-H61 PolarHBondContact O-NE2 3.21Å |
| 30 | T | 90.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | trans | -88.4 | 156.5 | -176.9 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | L27 Q28 T32 H33 F34 | L27-T30 WeakPolarHBondContact O-CG2 3.23Å; Q28-T30 PolarHBondContact O-N 2.95Å; T30-T32 PolarHBondContact O-N 3.29Å; T30-T32 PolarHBondContact OG1-OG1 3.43Å; T30-H33 PolarHBondContact O-N 3.07Å; T30-H33 PolarHBondContact OG1-N 3.3Å; T30-H33 PolarHBondContact OG1-ND1 2.94Å; T30-F34 PolarHBondContact O-N 3.08Å | ||
| 31 | K | 88.5 | Confident | 94 | Very high | 109 Ų | 109 | 60 Ų | 60 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.6 | 172 | -173 | -174.3 | -176.6 | 177.2 | 0 | 113 | F34 P35 N60 H61 | K31-F34 CarbonylContact O-C 3.29Å; K31-P35 VanDerWaalsContact O-CA 3.23Å; K31-P35 WeakPolarHBondContact O-CA 3.37Å; K31-P35 VanDerWaalsContact O-N 3.15Å; K31-N60 WeakPolarHBondContact CD-O 3.32Å; K31-H61 PolarHBondContact N-CE1 3.27Å |
| 32 | T | 89 | Confident | 94.1 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 74% | 0.736 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -39.4 | 178.5 | 50 | 0 | 0 | 0 | 0 | 112.2 | T30 | T30-T32 PolarHBondContact O-N 3.29Å; T30-T32 PolarHBondContact OG1-OG1 3.43Å |
| 33 | H | 90.8 | Very high | 94.3 | Very high | 132 Ų | 132 | 54.3 Ų | 54.3 | 61% | 0.611 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -32.5 | 177.4 | -65.8 | 105 | 0 | 0 | 0 | 112.5 | T30 P35 | T30-H33 PolarHBondContact O-N 3.07Å; T30-H33 PolarHBondContact OG1-N 3.3Å; T30-H33 PolarHBondContact OG1-ND1 2.94Å; H33-P35 VanDerWaalsContact C-CD 3.49Å; H33-P35 WeakPolarHBondContact O-CD 3.36Å |
| 34 | F | 94 | Very high | 94.5 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | trans | -127.9 | 68.3 | -176.7 | -55.9 | -79.6 | 0 | 0 | 0 | 111.8 | C8 V13 V29 T30 K31 F36 L37 | C8-F34 HydrophobicContact CB-CE1 3.95Å; C8-F34 HydrophobicContact CB-CZ 4.18Å; V13-F34 HydrophobicContact CG2-CD1 3.95Å; V13-F34 HydrophobicContact CG2-CD2 4.31Å; V13-F34 HydrophobicContact CG2-CE1 3.68Å; V13-F34 HydrophobicContact CG2-CE2 4.05Å; V13-F34 HydrophobicContact CG2-CG 4.26Å; V13-F34 HydrophobicContact CG2-CZ 3.72Å; V29-F34 HydrophobicContact CG1-CD2 4.09Å; V29-F34 HydrophobicContact CG1-CE2 4.49Å; T30-F34 PolarHBondContact O-N 3.08Å; K31-F34 CarbonylContact O-C 3.29Å; F34-F36 PolarHBondContact O-N 2.78Å; F34-L37 HydrophobicContact CB-CB 3.92Å; F34-L37 HydrophobicContact CB-CD1 4.17Å; F34-L37 HydrophobicContact CB-CD2 4.17Å; F34-L37 HydrophobicContact CB-CG 4.33Å; F34-L37 HydrophobicContact CG-CD1 4.47Å; F34-L37 WeakPolarHBondContact O-CB 3.31Å; F34-L37 PolarHBondContact O-N 3.49Å | ||
| 35 | P | 92.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 49 Ų | 49 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.4 | -175.1 | 26.7 | -35.4 | 0 | 0 | 0 | 114.3 | K31 H33 | K31-P35 VanDerWaalsContact O-CA 3.23Å; K31-P35 WeakPolarHBondContact O-CA 3.37Å; K31-P35 VanDerWaalsContact O-N 3.15Å; H33-P35 VanDerWaalsContact C-CD 3.49Å; H33-P35 WeakPolarHBondContact O-CD 3.36Å |
| 36 | F | 95.9 | Very high | 95 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 45% | 0.452 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 19.5 | -178.5 | -52.9 | -61.9 | 0 | 0 | 0 | 112.9 | A10 V11 F34 E38 | A10-F36 CarbonylContact O-C 3.47Å; V11-F36 HydrophobicContact CG1-CB 4.28Å; F34-F36 PolarHBondContact O-N 2.78Å; F36-E38 PolarHBondContact O-N 3.32Å |
| 37 | L | 97 | Very high | 95.1 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -59.2 | 124.3 | -175.8 | -164.8 | 61.8 | 0 | 0 | 0 | 111.6 | V13 V29 F34 V40 R63 L64 | V13-L37 HydrophobicContact CB-CD1 4.39Å; V13-L37 HydrophobicContact CG2-CD1 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.46Å; V29-L37 VanDerWaalsContact CG1-CD2 3.46Å; F34-L37 HydrophobicContact CB-CB 3.92Å; F34-L37 HydrophobicContact CB-CD1 4.17Å; F34-L37 HydrophobicContact CB-CD2 4.17Å; F34-L37 HydrophobicContact CB-CG 4.33Å; F34-L37 HydrophobicContact CG-CD1 4.47Å; F34-L37 WeakPolarHBondContact O-CB 3.31Å; F34-L37 PolarHBondContact O-N 3.49Å; L37-V40 HydrophobicContact CD1-CG2 4.1Å; L37-V40 HydrophobicContact CD2-CG2 3.48Å; L37-V40 VanDerWaalsContact CD2-CG2 3.48Å; L37-V40 HydrophobicContact CG-CG2 3.89Å; L37-R63 CarbonylContact O-C 3.45Å; L37-R63 VanDerWaalsContact O-C 3.22Å; L37-R63 WeakPolarHBondContact O-CB 3.38Å; L37-L64 HydrophobicContact CD2-CD1 4.25Å; L37-L64 HydrophobicContact CG-CD1 3.94Å; L37-L64 PolarHBondContact O-N 3.38Å | ||
| 38 | E | 98.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 26% | 0.257 | C | S | . | . | trans | -117 | -27.3 | 177.4 | -61.9 | -160.5 | 144.3 | 0 | 0 | 112.8 | V11 F36 R63 K65 S66 | V11-E38 HydrophobicContact CB-CG 4.44Å; V11-E38 PolarHBondContact O-N 2.94Å; F36-E38 PolarHBondContact O-N 3.32Å; E38-R63 WeakPolarHBondContact CA-O 3.49Å; E38-K65 PolarHBondContact O-N 2.83Å; E38-K65 IonicContact OE1-NZ 3.87Å; E38-K65 PolarHBondContact OE1-NZ 3.2Å; E38-K65 IonicContact OE2-NZ 3.85Å; E38-S66 PolarHBondContact O-N 3.07Å; E38-S66 VanDerWaalsContact O-N 3.09Å | ||
| 39 | R | 98.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.2 | -175.7 | -59.6 | -173.7 | -74.3 | -75.2 | -1.2 | 111.7 | V11 S12 V13 S66 | V11-R39 PolarHBondContact O-N 3.28Å; V11-R39 VanDerWaalsContact O-N 3.07Å; S12-R39 VanDerWaalsContact CA-O 3.22Å; S12-R39 WeakPolarHBondContact CA-O 3.45Å; V13-R39 PolarHBondContact N-O 3.19Å; R39-S66 WeakPolarHBondContact CA-O 3.48Å |
| 40 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.8 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | V13 V29 L37 F42 F55 L64 S66 L67 N68 | V13-V40 HydrophobicContact CB-CG2 4.47Å; V13-V40 CarbonylContact O-C 3.46Å; V13-V40 WeakPolarHBondContact O-CA 3.46Å; V29-V40 HydrophobicContact CG1-CG2 4.35Å; L37-V40 HydrophobicContact CD1-CG2 4.1Å; L37-V40 HydrophobicContact CD2-CG2 3.48Å; L37-V40 VanDerWaalsContact CD2-CG2 3.48Å; L37-V40 HydrophobicContact CG-CG2 3.89Å; V40-F42 HydrophobicContact CG1-CD2 3.5Å; V40-F42 HydrophobicContact CG1-CE2 3.6Å; V40-F55 HydrophobicContact CB-CZ 4.11Å; V40-F55 HydrophobicContact CG1-CE1 4.1Å; V40-F55 HydrophobicContact CG1-CZ 3.8Å; V40-F55 HydrophobicContact CG2-CE1 4.45Å; V40-F55 HydrophobicContact CG2-CZ 3.95Å; V40-L64 HydrophobicContact CB-CD1 4.18Å; V40-L64 HydrophobicContact CG2-CD1 3.61Å; V40-S66 PolarHBondContact N-O 2.84Å; V40-L67 HydrophobicContact CB-CD1 3.93Å; V40-L67 HydrophobicContact CG1-CD1 3.86Å; V40-L67 WeakPolarHBondContact O-CA 3.46Å; V40-N68 PolarHBondContact O-N 3.27Å |
| 41 | T | 98.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 119.8 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | V13 E14 C15 I16 Q43 N68 | V13-T41 PolarHBondContact O-N 2.82Å; E14-T41 CarbonylContact C-O 3.21Å; E14-T41 WeakPolarHBondContact CA-O 3.22Å; C15-T41 PolarHBondContact N-O 3.23Å; I16-T41 HydrophobicContact CD1-CG2 4.24Å; I16-T41 HydrophobicContact CG1-CG2 3.99Å; T41-Q43 HydrophobicContact CG2-CB 3.76Å; T41-N68 CarbonylContact C-O 3.43Å; T41-N68 WeakPolarHBondContact CA-O 3.01Å; T41-N68 HydrophobicContact CG2-CB 4.14Å |
| 42 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -123.5 | 75.2 | 168.2 | -81.4 | -94.4 | 0 | 0 | 0 | 108.1 | V13 C15 I25 F26 V29 V40 F47 N68 L69 N72 | V13-F42 HydrophobicContact CG1-CE2 4.26Å; V13-F42 HydrophobicContact CG1-CZ 4.44Å; C15-F42 HydrophobicContact CB-CD1 3.48Å; C15-F42 VanDerWaalsContact CB-CD1 3.48Å; C15-F42 HydrophobicContact CB-CE1 3.55Å; C15-F42 HydrophobicContact CB-CG 4.09Å; C15-F42 HydrophobicContact CB-CZ 4.21Å; C15-F42 WeakPolarHBondContact O-CA 3.43Å; C15-F42 WeakPolarHBondContact SG-CE1 3.46Å; I25-F42 HydrophobicContact CB-CE1 4.45Å; I25-F42 HydrophobicContact CD1-CE1 4.05Å; I25-F42 HydrophobicContact CG1-CE1 3.99Å; I25-F42 HydrophobicContact CG1-CZ 4.34Å; I25-F42 HydrophobicContact CG2-CD1 4.4Å; I25-F42 HydrophobicContact CG2-CE1 3.67Å; I25-F42 HydrophobicContact CG2-CZ 4.33Å; F26-F42 HydrophobicContact CD1-CD1 4.25Å; F26-F42 AromaticContact CD1-CD2 3.84Å; F26-F42 HydrophobicContact CD1-CD2 3.84Å; F26-F42 HydrophobicContact CD1-CE1 4.08Å; F26-F42 AromaticContact CD1-CE2 3.65Å; F26-F42 HydrophobicContact CD1-CE2 3.65Å; F26-F42 HydrophobicContact CD1-CG 4.14Å; F26-F42 AromaticContact CD1-CZ 3.78Å; F26-F42 HydrophobicContact CD1-CZ 3.78Å; F26-F42 HydrophobicContact CE1-CB 3.92Å; F26-F42 AromaticContact CE1-CD1 3.72Å; F26-F42 HydrophobicContact CE1-CD1 3.72Å; F26-F42 AromaticContact CE1-CD2 3.51Å; F26-F42 HydrophobicContact CE1-CD2 3.51Å; F26-F42 HydrophobicContact CE1-CE1 4.02Å; F26-F42 AromaticContact CE1-CE2 3.82Å; F26-F42 HydrophobicContact CE1-CE2 3.82Å; F26-F42 AromaticContact CE1-CG 3.45Å; F26-F42 HydrophobicContact CE1-CG 3.45Å; F26-F42 VanDerWaalsContact CE1-CG 3.45Å; F26-F42 HydrophobicContact CE1-CZ 4.06Å; F26-F42 HydrophobicContact CZ-CG 4.4Å; V29-F42 HydrophobicContact CG2-CE2 4.16Å; V29-F42 HydrophobicContact CG2-CZ 4.05Å; V40-F42 HydrophobicContact CG1-CD2 3.5Å; V40-F42 HydrophobicContact CG1-CE2 3.6Å; F42-F47 HydrophobicContact CB-CE2 4.05Å; F42-F47 AromaticContact CD1-CE2 3.84Å; F42-F47 HydrophobicContact CD1-CE2 3.84Å; F42-F47 AromaticContact CD1-CZ 3.95Å; F42-F47 HydrophobicContact CD1-CZ 3.95Å; F42-F47 HydrophobicContact CE1-CZ 4.48Å; F42-F47 HydrophobicContact CG-CE2 4.32Å; F42-N68 PolarHBondContact N-O 2.86Å; F42-L69 HydrophobicContact CB-CD2 3.96Å; F42-N72 PolarHBondContact O-ND2 2.85Å | ||
| 43 | Q | 98.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | trans | -101.9 | 142.4 | -173.7 | 179 | -176.9 | 5.1 | 0 | 0 | 111.4 | C15 I16 N17 T41 N45 S70 A71 | C15-Q43 PolarHBondContact O-N 3.24Å; I16-Q43 CarbonylContact C-O 3.59Å; I16-Q43 VanDerWaalsContact CA-O 3.27Å; I16-Q43 WeakPolarHBondContact CA-O 3.23Å; I16-Q43 HydrophobicContact CG1-CB 4.39Å; N17-Q43 PolarHBondContact N-O 3.21Å; T41-Q43 HydrophobicContact CG2-CB 3.76Å; Q43-N45 PolarHBondContact O-ND2 2.82Å; Q43-S70 VanDerWaalsContact CA-O 3.24Å; Q43-S70 WeakPolarHBondContact CA-O 3.41Å; Q43-S70 WeakPolarHBondContact CG-OG 3.41Å; Q43-A71 HydrophobicContact CG-CB 4.26Å | ||
| 44 | G | 98 | Very high | 96.3 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 72.5 | 29.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N17 S70 A71 | N17-G44 VanDerWaalsContact CA-O 3.3Å; N17-G44 WeakPolarHBondContact CA-O 3.46Å; G44-S70 PolarHBondContact N-O 2.82Å; G44-A71 CarbonylContact C-O 3.58Å; G44-A71 WeakPolarHBondContact CA-O 2.99Å; G44-A71 PolarHBondContact N-O 2.91Å |
| 45 | N | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -107.5 | -175.2 | 177.5 | -58.6 | -73.1 | 0 | 0 | 0 | 110.7 | C15 G18 R19 F20 Q43 F47 A71 N72 | C15-N45 PolarHBondContact O-ND2 3.02Å; G18-N45 VanDerWaalsContact CA-OD1 3.23Å; G18-N45 WeakPolarHBondContact CA-OD1 3.38Å; G18-N45 PolarHBondContact N-OD1 2.91Å; R19-N45 PolarHBondContact N-OD1 2.77Å; F20-N45 HydrophobicContact CB-CB 4.17Å; F20-N45 WeakPolarHBondContact CD2-OD1 3.47Å; F20-N45 PolarHBondContact N-OD1 3.24Å; Q43-N45 PolarHBondContact O-ND2 2.82Å; N45-F47 HydrophobicContact CB-CD2 3.81Å; N45-F47 HydrophobicContact CB-CE2 3.58Å; N45-F47 HydrophobicContact CB-CZ 4.23Å; N45-A71 PolarHBondContact N-O 2.97Å; N45-N72 WeakPolarHBondContact CA-OD1 3.04Å; N45-N72 WeakPolarHBondContact CB-OD1 3.34Å; N45-N72 PolarHBondContact N-OD1 3.11Å; N45-N72 WeakPolarHBondContact O-CA 3.46Å; N45-N72 PolarHBondContact O-OD1 2.92Å; N45-N72 VanDerWaalsContact O-OD1 3.09Å | ||
| 46 | N | 97.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | trans | -110 | 29.3 | -171.2 | -64 | -14.9 | 0 | 0 | 0 | 112 | F20 T21 Y73 | F20-N46 CarbonylContact O-C 3.43Å; F20-N46 VanDerWaalsContact O-CA 3.31Å; F20-N46 WeakPolarHBondContact O-CA 3.43Å; F20-N46 PolarHBondContact O-N 3.06Å; T21-N46 HydrophobicContact CG2-CB 3.56Å; N46-Y73 HydrophobicContact CB-CD2 4.5Å | ||
| 47 | F | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -71.7 | 137.9 | -179.8 | -58.6 | -59.9 | 0 | 0 | 0 | 111.3 | F20 D22 T23 I25 F26 F42 N45 N72 Y73 F74 | F20-F47 HydrophobicContact CB-CE1 3.72Å; F20-F47 HydrophobicContact CB-CE2 4.29Å; F20-F47 HydrophobicContact CB-CZ 3.46Å; F20-F47 VanDerWaalsContact CB-CZ 3.46Å; F20-F47 HydrophobicContact CG-CZ 4.4Å; F20-F47 PolarHBondContact O-N 2.77Å; D22-F47 WeakPolarHBondContact O-CE1 2.95Å; T23-F47 HydrophobicContact CG2-CD1 4.05Å; I25-F47 HydrophobicContact CG2-CE1 4Å; I25-F47 HydrophobicContact CG2-CZ 3.73Å; F26-F47 HydrophobicContact CE1-CE2 4.17Å; F26-F47 HydrophobicContact CE1-CZ 4.29Å; F26-F47 HydrophobicContact CE2-CD1 4.37Å; F26-F47 HydrophobicContact CE2-CE1 4.31Å; F26-F47 HydrophobicContact CE2-CG 4.5Å; F26-F47 HydrophobicContact CE2-CZ 4.37Å; F26-F47 HydrophobicContact CZ-CD1 4.41Å; F26-F47 AromaticContact CZ-CD2 3.87Å; F26-F47 HydrophobicContact CZ-CD2 3.87Å; F26-F47 HydrophobicContact CZ-CE1 4.23Å; F26-F47 AromaticContact CZ-CE2 3.68Å; F26-F47 HydrophobicContact CZ-CE2 3.68Å; F26-F47 HydrophobicContact CZ-CG 4.25Å; F26-F47 AromaticContact CZ-CZ 3.86Å; F26-F47 HydrophobicContact CZ-CZ 3.86Å; F42-F47 HydrophobicContact CB-CE2 4.05Å; F42-F47 AromaticContact CD1-CE2 3.84Å; F42-F47 HydrophobicContact CD1-CE2 3.84Å; F42-F47 AromaticContact CD1-CZ 3.95Å; F42-F47 HydrophobicContact CD1-CZ 3.95Å; F42-F47 HydrophobicContact CE1-CZ 4.48Å; F42-F47 HydrophobicContact CG-CE2 4.32Å; N45-F47 HydrophobicContact CB-CD2 3.81Å; N45-F47 HydrophobicContact CB-CE2 3.58Å; N45-F47 HydrophobicContact CB-CZ 4.23Å; F47-N72 VanDerWaalsContact CD2-OD1 3.28Å; F47-N72 WeakPolarHBondContact CD2-OD1 3.3Å; F47-Y73 CarbonylContact O-C 3.55Å; F47-Y73 VanDerWaalsContact O-CA 3.26Å; F47-Y73 WeakPolarHBondContact O-CA 3.33Å; F47-Y73 PolarHBondContact O-N 2.72Å; F47-F74 HydrophobicContact CB-CD1 4.07Å; F47-F74 HydrophobicContact CB-CE1 3.39Å; F47-F74 HydrophobicContact CB-CE2 4.02Å; F47-F74 HydrophobicContact CB-CZ 3.35Å; F47-F74 HydrophobicContact CD2-CE2 4.34Å; F47-F74 AromaticContact CD2-CZ 3.89Å; F47-F74 HydrophobicContact CD2-CZ 3.89Å; F47-F74 HydrophobicContact CG-CE1 4.25Å; F47-F74 AromaticContact CG-CZ 3.87Å; F47-F74 HydrophobicContact CG-CZ 3.87Å; F47-F74 PolarHBondContact O-N 2.91Å; F47-F74 VanDerWaalsContact O-N 3.16Å | ||
| 48 | V | 96.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | trans | -113 | -32.4 | -177.5 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | Y73 F74 V75 N76 | V48-Y73 WeakPolarHBondContact CA-O 3.39Å; V48-F74 WeakPolarHBondContact O-CA 3.25Å; V48-V75 HydrophobicContact CG1-CB 4.47Å; V48-V75 HydrophobicContact CG1-CG2 4.26Å; V48-V75 PolarHBondContact O-N 2.88Å; V48-N76 PolarHBondContact O-N 3.18Å | ||
| 49 | T | 96 | Very high | 93.2 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 41% | 0.405 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.2 | -177.6 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | T23 N76 | T23-T49 WeakPolarHBondContact CG2-O 3.3Å; T49-N76 CarbonylContact C-O 3.57Å; T49-N76 WeakPolarHBondContact CA-O 3.32Å; T49-N76 HydrophobicContact CG2-CB 4.21Å |
| 50 | L | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.8 | 171.7 | -165.4 | 68.3 | 0 | 0 | 0 | 108.9 | V54 L69 F74 N76 M77 H78 A81 F82 | L50-V54 HydrophobicContact CD1-CB 4.48Å; L50-V54 HydrophobicContact CD1-CG2 3.84Å; L50-L69 HydrophobicContact CD1-CD1 3.83Å; L50-L69 HydrophobicContact CD2-CD1 4.17Å; L50-F74 HydrophobicContact CB-CD1 3.87Å; L50-F74 HydrophobicContact CB-CE1 3.85Å; L50-F74 HydrophobicContact CD1-CD1 4.41Å; L50-F74 HydrophobicContact CD1-CE1 3.68Å; L50-F74 HydrophobicContact CD1-CE2 4.48Å; L50-F74 HydrophobicContact CD1-CZ 3.72Å; L50-F74 HydrophobicContact CG-CE1 4.37Å; L50-N76 PolarHBondContact N-O 3.03Å; L50-M77 HydrophobicContact CB-CG 4.17Å; L50-M77 HydrophobicContact CD2-CG 4.44Å; L50-H78 WeakPolarHBondContact O-CB 3.5Å; L50-H78 PolarHBondContact O-N 2.96Å; L50-A81 HydrophobicContact CB-CB 4.47Å; L50-A81 HydrophobicContact CD2-CB 3.58Å; L50-A81 HydrophobicContact CG-CB 3.76Å; L50-F82 HydrophobicContact CD2-CD1 4.47Å; L50-F82 HydrophobicContact CD2-CE1 3.64Å; L50-F82 HydrophobicContact CD2-CE2 4.45Å; L50-F82 HydrophobicContact CD2-CZ 3.61Å |
| 51 | P | 94.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 25% | 0.253 | 23% | 0.232 | S | C | . | . | trans | -76 | 167.2 | -173.8 | 32.4 | -36 | 0 | 0 | 0 | 112.1 | T23 A81 | T23-P51 HydrophobicContact CG2-CG 4.48Å; P51-A81 VanDerWaalsContact O-CA 3.3Å; P51-A81 WeakPolarHBondContact O-CA 3.24Å; P51-A81 WeakPolarHBondContact O-CB 3.05Å | ||
| 52 | A | 93.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -60 | 136.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H78 | A52-H78 HydrophobicContact CB-CB 4.39Å; A52-H78 VanDerWaalsContact CB-ND1 3.34Å; A52-H78 WeakPolarHBondContact CB-ND1 3.17Å |
| 53 | S | 92.5 | Very high | 91.9 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 45.7 | 73.8 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | F55 G56 D80 | S53-F55 PolarHBondContact O-N 2.84Å; S53-G56 CarbonylContact O-C 3.55Å; S53-G56 WeakPolarHBondContact O-CA 3.46Å; S53-G56 PolarHBondContact O-N 3.16Å; S53-D80 PolarHBondContact N-O 2.82Å |
| 54 | V | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -33.5 | -163.5 | 68 | 0 | 0 | 0 | 0 | 114.8 | F26 L50 G56 A81 M85 | F26-V54 HydrophobicContact CB-CG2 3.96Å; F26-V54 WeakPolarHBondContact CB-O 3.19Å; F26-V54 HydrophobicContact CD1-CG2 4.09Å; F26-V54 HydrophobicContact CD2-CG2 3.45Å; F26-V54 VanDerWaalsContact CD2-CG2 3.45Å; F26-V54 HydrophobicContact CE1-CG2 4.43Å; F26-V54 HydrophobicContact CE2-CG2 3.87Å; F26-V54 HydrophobicContact CG-CG2 3.6Å; F26-V54 HydrophobicContact CZ-CG2 4.35Å; L50-V54 HydrophobicContact CD1-CB 4.48Å; L50-V54 HydrophobicContact CD1-CG2 3.84Å; V54-G56 VanDerWaalsContact C-N 3.34Å; V54-A81 PolarHBondContact N-O 3.38Å; V54-M85 HydrophobicContact CG1-CE 4.12Å |
| 55 | F | 92.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.5 | 178.1 | -58.2 | -57.3 | 0 | 0 | 0 | 114.8 | F26 V29 V40 S53 S59 H61 L64 L67 M85 | F26-F55 HydrophobicContact CB-CD1 4.23Å; F26-F55 HydrophobicContact CD1-CE1 4.4Å; V29-F55 HydrophobicContact CB-CD1 3.85Å; V29-F55 HydrophobicContact CB-CE1 4.08Å; V29-F55 HydrophobicContact CG1-CD1 4.2Å; V29-F55 HydrophobicContact CG1-CE1 4.17Å; V40-F55 HydrophobicContact CB-CZ 4.11Å; V40-F55 HydrophobicContact CG1-CE1 4.1Å; V40-F55 HydrophobicContact CG1-CZ 3.8Å; V40-F55 HydrophobicContact CG2-CE1 4.45Å; V40-F55 HydrophobicContact CG2-CZ 3.95Å; S53-F55 PolarHBondContact O-N 2.84Å; F55-S59 WeakPolarHBondContact O-CB 3.26Å; F55-S59 PolarHBondContact O-OG 3.05Å; F55-H61 AromaticContact CD2-CD2 3.61Å; F55-H61 AromaticContact CG-CD2 3.82Å; F55-L64 HydrophobicContact CE2-CD2 3.87Å; F55-L67 HydrophobicContact CZ-CD1 4.13Å; F55-M85 HydrophobicContact CD2-CG 4.46Å; F55-M85 HydrophobicContact CD2-SD 3.95Å; F55-M85 HydrophobicContact CE2-CG 4.41Å; F55-M85 HydrophobicContact CE2-SD 3.47Å; F55-M85 WeakPolarHBondContact CE2-SD 3.28Å |
| 56 | G | 86.2 | Confident | 92 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | trans | 96 | 151 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 V54 A58 S59 | S53-G56 CarbonylContact O-C 3.55Å; S53-G56 WeakPolarHBondContact O-CA 3.46Å; S53-G56 PolarHBondContact O-N 3.16Å; V54-G56 VanDerWaalsContact C-N 3.34Å; G56-A58 VanDerWaalsContact C-N 3.26Å; G56-A58 PolarHBondContact O-N 3.36Å; G56-S59 PolarHBondContact O-N 3.09Å | ||
| 57 | P | 81.3 | Confident | 92 | Very high | 128 Ų | 128 | 41.5 Ų | 41.5 | 83% | 0.831 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.3 | -174.7 | 26 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 58 | A | 77.6 | Confident | 92.1 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 84% | 0.835 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -10.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G56 | G56-A58 VanDerWaalsContact C-N 3.26Å; G56-A58 PolarHBondContact O-N 3.36Å |
| 59 | S | 74.5 | Confident | 92.2 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | trans | -94.8 | 112.4 | -178.3 | -64.3 | 0 | 0 | 0 | 0 | 110 | F55 G56 | F55-S59 WeakPolarHBondContact O-CB 3.26Å; F55-S59 PolarHBondContact O-OG 3.05Å; G56-S59 PolarHBondContact O-N 3.09Å | ||
| 60 | N | 85.3 | Confident | 92.3 | Very high | 70 Ų | 70 | 36.4 Ų | 36.4 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -111.6 | 123.3 | 165 | -179 | -16 | 0 | 0 | 0 | 107.3 | K31 P62 G84 | K31-N60 WeakPolarHBondContact CD-O 3.32Å; N60-P62 WeakPolarHBondContact O-CD 3.36Å; N60-G84 WeakPolarHBondContact CA-O 3.35Å; N60-G84 PolarHBondContact OD1-O 3.36Å | ||
| 61 | H | 93.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -102.7 | 80.3 | 173.4 | -73.3 | -66.8 | 0 | 0 | 0 | 108.9 | V29 K31 F55 R63 L64 G84 | V29-H61 PolarHBondContact O-NE2 3.21Å; K31-H61 PolarHBondContact N-CE1 3.27Å; F55-H61 AromaticContact CD2-CD2 3.61Å; F55-H61 AromaticContact CG-CD2 3.82Å; H61-R63 PolarHBondContact O-N 3.16Å; H61-L64 HydrophobicContact CB-CB 3.86Å; H61-L64 WeakPolarHBondContact O-CB 3.31Å; H61-L64 PolarHBondContact O-N 2.99Å; H61-G84 PolarHBondContact N-O 3.23Å | ||
| 62 | P | 92.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 36.2 Ų | 36.2 | 34% | 0.338 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.5 | -172.4 | 30.8 | -39.3 | 0 | 0 | 0 | 113.3 | N60 D87 | N60-P62 WeakPolarHBondContact O-CD 3.36Å; P62-D87 VanDerWaalsContact O-CB 3.31Å; P62-D87 WeakPolarHBondContact O-CB 3.42Å |
| 63 | R | 95.7 | Very high | 92.7 | Very high | 130 Ų | 130 | 40.2 Ų | 40.2 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -4 | 177.8 | -63.7 | -175.7 | -179 | -152.5 | 3 | 112.8 | L37 E38 H61 K65 | L37-R63 CarbonylContact O-C 3.45Å; L37-R63 VanDerWaalsContact O-C 3.22Å; L37-R63 WeakPolarHBondContact O-CB 3.38Å; E38-R63 WeakPolarHBondContact CA-O 3.49Å; H61-R63 PolarHBondContact O-N 3.16Å; R63-K65 PolarHBondContact O-N 3.24Å |
| 64 | L | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -68.5 | 120.6 | -178.3 | -167.8 | 77.1 | 0 | 0 | 0 | 109.5 | L37 V40 F55 H61 L67 M85 D87 L88 | L37-L64 HydrophobicContact CD2-CD1 4.25Å; L37-L64 HydrophobicContact CG-CD1 3.94Å; L37-L64 PolarHBondContact O-N 3.38Å; V40-L64 HydrophobicContact CB-CD1 4.18Å; V40-L64 HydrophobicContact CG2-CD1 3.61Å; F55-L64 HydrophobicContact CE2-CD2 3.87Å; H61-L64 HydrophobicContact CB-CB 3.86Å; H61-L64 WeakPolarHBondContact O-CB 3.31Å; H61-L64 PolarHBondContact O-N 2.99Å; L64-L67 HydrophobicContact CD2-CB 4.49Å; L64-M85 HydrophobicContact CD2-CB 4.4Å; L64-M85 HydrophobicContact CD2-CG 3.72Å; L64-M85 HydrophobicContact CD2-SD 3.26Å; L64-M85 WeakPolarHBondContact CD2-SD 3.44Å; L64-D87 CarbonylContact O-C 3.35Å; L64-L88 HydrophobicContact CD2-CD1 3.93Å; L64-L88 HydrophobicContact CG-CD1 4.04Å; L64-L88 WeakPolarHBondContact O-CA 3.25Å; L64-L88 PolarHBondContact O-N 2.84Å | ||
| 65 | K | 98.5 | Very high | 93.2 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | trans | -109.3 | -26.8 | -178 | -69 | 165 | -175.5 | 163.2 | 0 | 112.2 | E38 R63 R89 F90 | E38-K65 PolarHBondContact O-N 2.83Å; E38-K65 IonicContact OE1-NZ 3.87Å; E38-K65 PolarHBondContact OE1-NZ 3.2Å; E38-K65 IonicContact OE2-NZ 3.85Å; R63-K65 PolarHBondContact O-N 3.24Å; K65-R89 PolarHBondContact O-N 2.83Å; K65-F90 PolarHBondContact O-N 3.09Å | ||
| 66 | S | 98.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.5 | -175 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | E38 R39 V40 F90 | E38-S66 PolarHBondContact O-N 3.07Å; E38-S66 VanDerWaalsContact O-N 3.09Å; R39-S66 WeakPolarHBondContact CA-O 3.48Å; V40-S66 PolarHBondContact N-O 2.84Å; S66-F90 WeakPolarHBondContact CA-O 3.26Å; S66-F90 VanDerWaalsContact OG-CD1 3.25Å; S66-F90 WeakPolarHBondContact OG-CD1 3.43Å |
| 67 | L | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115 | 174.5 | 178.5 | 59.6 | 0 | 0 | 0 | 108.7 | V40 F55 L64 L69 F82 M85 L88 F90 L91 D92 | V40-L67 HydrophobicContact CB-CD1 3.93Å; V40-L67 HydrophobicContact CG1-CD1 3.86Å; V40-L67 WeakPolarHBondContact O-CA 3.46Å; F55-L67 HydrophobicContact CZ-CD1 4.13Å; L64-L67 HydrophobicContact CD2-CB 4.49Å; L67-L69 HydrophobicContact CD1-CD1 4.49Å; L67-L69 HydrophobicContact CD1-CD2 4.01Å; L67-L69 HydrophobicContact CD1-CG 4.04Å; L67-L69 HydrophobicContact CD2-CD1 4.08Å; L67-L69 HydrophobicContact CD2-CG 4.41Å; L67-L69 HydrophobicContact CG-CD1 4.21Å; L67-L69 HydrophobicContact CG-CG 3.99Å; L67-F82 HydrophobicContact CD2-CD1 3.9Å; L67-F82 HydrophobicContact CD2-CE1 3.86Å; L67-M85 HydrophobicContact CD2-CE 4.02Å; L67-M85 HydrophobicContact CD2-SD 3.97Å; L67-L88 HydrophobicContact CB-CD1 3.72Å; L67-L88 HydrophobicContact CB-CD2 4.18Å; L67-F90 PolarHBondContact N-O 3.06Å; L67-L91 HydrophobicContact CB-CD1 4.26Å; L67-L91 HydrophobicContact CD2-CD1 4.07Å; L67-L91 HydrophobicContact CG-CD1 4.17Å; L67-L91 WeakPolarHBondContact O-CA 3.25Å; L67-D92 PolarHBondContact O-N 3.04Å |
| 68 | N | 98.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.1 | 176.5 | -179.5 | -3.6 | 0 | 0 | 0 | 109.8 | V40 T41 F42 S70 D92 | V40-N68 PolarHBondContact O-N 3.27Å; T41-N68 CarbonylContact C-O 3.43Å; T41-N68 WeakPolarHBondContact CA-O 3.01Å; T41-N68 HydrophobicContact CG2-CB 4.14Å; F42-N68 PolarHBondContact N-O 2.86Å; N68-S70 VanDerWaalsContact OD1-CB 3.25Å; N68-S70 WeakPolarHBondContact OD1-CB 3.44Å; N68-S70 PolarHBondContact OD1-N 2.91Å; N68-S70 PolarHBondContact OD1-OG 2.91Å; N68-D92 HydrophobicContact CB-CB 4.34Å |
| 69 | L | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -119.6 | 23.7 | 178.1 | -63.5 | 179.4 | 0 | 0 | 0 | 110.9 | F26 F42 L50 L67 N72 F74 F82 D92 L93 N96 | F26-L69 HydrophobicContact CE1-CD2 4.28Å; F26-L69 HydrophobicContact CZ-CD2 4.39Å; F42-L69 HydrophobicContact CB-CD2 3.96Å; L50-L69 HydrophobicContact CD1-CD1 3.83Å; L50-L69 HydrophobicContact CD2-CD1 4.17Å; L67-L69 HydrophobicContact CD1-CD1 4.49Å; L67-L69 HydrophobicContact CD1-CD2 4.01Å; L67-L69 HydrophobicContact CD1-CG 4.04Å; L67-L69 HydrophobicContact CD2-CD1 4.08Å; L67-L69 HydrophobicContact CD2-CG 4.41Å; L67-L69 HydrophobicContact CG-CD1 4.21Å; L67-L69 HydrophobicContact CG-CG 3.99Å; L69-N72 VanDerWaalsContact C-ND2 3.34Å; L69-N72 PolarHBondContact O-ND2 3.13Å; L69-F74 HydrophobicContact CB-CE2 3.97Å; L69-F74 HydrophobicContact CD1-CE2 4.4Å; L69-F74 HydrophobicContact CD2-CE2 4.45Å; L69-F82 HydrophobicContact CD1-CE1 4.08Å; L69-D92 CarbonylContact C-O 3.58Å; L69-D92 WeakPolarHBondContact CA-O 3.4Å; L69-D92 PolarHBondContact N-O 2.93Å; L69-L93 HydrophobicContact CB-CD2 4.02Å; L69-L93 HydrophobicContact CD1-CD2 4.19Å; L69-N96 PolarHBondContact O-ND2 2.94Å; L69-N96 VanDerWaalsContact O-ND2 3.11Å | ||
| 70 | S | 98.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | trans | -70 | 159.9 | -176.6 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | Q43 G44 N68 N72 D92 T94 | Q43-S70 VanDerWaalsContact CA-O 3.24Å; Q43-S70 WeakPolarHBondContact CA-O 3.41Å; Q43-S70 WeakPolarHBondContact CG-OG 3.41Å; G44-S70 PolarHBondContact N-O 2.82Å; N68-S70 VanDerWaalsContact OD1-CB 3.25Å; N68-S70 WeakPolarHBondContact OD1-CB 3.44Å; N68-S70 PolarHBondContact OD1-N 2.91Å; N68-S70 PolarHBondContact OD1-OG 2.91Å; S70-N72 PolarHBondContact O-N 2.83Å; S70-N72 PolarHBondContact O-ND2 3.46Å; S70-N72 VanDerWaalsContact O-ND2 3.16Å; S70-D92 PolarHBondContact N-O 2.99Å; S70-T94 CarbonylContact C-O 3.57Å; S70-T94 WeakPolarHBondContact CA-O 3.4Å; S70-T94 WeakPolarHBondContact CB-O 3.17Å | ||
| 71 | A | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 54 | 51.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q43 G44 N45 T94 D95 | Q43-A71 HydrophobicContact CG-CB 4.26Å; G44-A71 CarbonylContact C-O 3.58Å; G44-A71 WeakPolarHBondContact CA-O 2.99Å; G44-A71 PolarHBondContact N-O 2.91Å; N45-A71 PolarHBondContact N-O 2.97Å; A71-T94 PolarHBondContact N-O 2.96Å; A71-D95 CarbonylContact C-O 3.22Å; A71-D95 WeakPolarHBondContact CA-O 3.05Å; A71-D95 HydrophobicContact CB-CB 4.44Å; A71-D95 PolarHBondContact N-O 2.62Å; A71-D95 VanDerWaalsContact N-O 3.13Å |
| 72 | N | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -121.3 | -167.2 | 169.9 | -71.3 | -78.4 | 0 | 0 | 0 | 108.9 | F42 N45 F47 L69 S70 F74 D95 N96 | F42-N72 PolarHBondContact O-ND2 2.85Å; N45-N72 WeakPolarHBondContact CA-OD1 3.04Å; N45-N72 WeakPolarHBondContact CB-OD1 3.34Å; N45-N72 PolarHBondContact N-OD1 3.11Å; N45-N72 WeakPolarHBondContact O-CA 3.46Å; N45-N72 PolarHBondContact O-OD1 2.92Å; N45-N72 VanDerWaalsContact O-OD1 3.09Å; F47-N72 VanDerWaalsContact CD2-OD1 3.28Å; F47-N72 WeakPolarHBondContact CD2-OD1 3.3Å; L69-N72 VanDerWaalsContact C-ND2 3.34Å; L69-N72 PolarHBondContact O-ND2 3.13Å; S70-N72 PolarHBondContact O-N 2.83Å; S70-N72 PolarHBondContact O-ND2 3.46Å; S70-N72 VanDerWaalsContact O-ND2 3.16Å; N72-F74 HydrophobicContact CB-CD2 3.67Å; N72-F74 HydrophobicContact CB-CE2 3.79Å; N72-F74 HydrophobicContact CB-CG 4.48Å; N72-D95 PolarHBondContact N-O 3.42Å; N72-D95 VanDerWaalsContact N-O 3.16Å; N72-N96 WeakPolarHBondContact CA-OD1 3.49Å; N72-N96 VanDerWaalsContact CB-OD1 3.25Å; N72-N96 WeakPolarHBondContact CB-OD1 3.3Å; N72-N96 PolarHBondContact O-OD1 3.17Å |
| 73 | Y | 97.1 | Very high | 97 | Very high | 128 Ų | 128 | 36.5 Ų | 36.5 | 50% | 0.502 | 18% | 0.182 | S | C | . | . | trans | -117 | 33.3 | 174.8 | -58.7 | -86.2 | 0 | 0 | 0 | 110.8 | N46 F47 V48 V75 | N46-Y73 HydrophobicContact CB-CD2 4.5Å; F47-Y73 CarbonylContact O-C 3.55Å; F47-Y73 VanDerWaalsContact O-CA 3.26Å; F47-Y73 WeakPolarHBondContact O-CA 3.33Å; F47-Y73 PolarHBondContact O-N 2.72Å; V48-Y73 WeakPolarHBondContact CA-O 3.39Å; Y73-V75 WeakPolarHBondContact O-CG2 3.15Å; Y73-V75 PolarHBondContact O-N 3.49Å | ||
| 74 | F | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -60.3 | 116.4 | -178 | -74.4 | -65.1 | 0 | 0 | 0 | 109.7 | F26 F47 V48 L50 L69 N72 N96 E97 I98 | F26-F74 HydrophobicContact CZ-CZ 4.21Å; F47-F74 HydrophobicContact CB-CD1 4.07Å; F47-F74 HydrophobicContact CB-CE1 3.39Å; F47-F74 HydrophobicContact CB-CE2 4.02Å; F47-F74 HydrophobicContact CB-CZ 3.35Å; F47-F74 HydrophobicContact CD2-CE2 4.34Å; F47-F74 AromaticContact CD2-CZ 3.89Å; F47-F74 HydrophobicContact CD2-CZ 3.89Å; F47-F74 HydrophobicContact CG-CE1 4.25Å; F47-F74 AromaticContact CG-CZ 3.87Å; F47-F74 HydrophobicContact CG-CZ 3.87Å; F47-F74 PolarHBondContact O-N 2.91Å; F47-F74 VanDerWaalsContact O-N 3.16Å; V48-F74 WeakPolarHBondContact O-CA 3.25Å; L50-F74 HydrophobicContact CB-CD1 3.87Å; L50-F74 HydrophobicContact CB-CE1 3.85Å; L50-F74 HydrophobicContact CD1-CD1 4.41Å; L50-F74 HydrophobicContact CD1-CE1 3.68Å; L50-F74 HydrophobicContact CD1-CE2 4.48Å; L50-F74 HydrophobicContact CD1-CZ 3.72Å; L50-F74 HydrophobicContact CG-CE1 4.37Å; L69-F74 HydrophobicContact CB-CE2 3.97Å; L69-F74 HydrophobicContact CD1-CE2 4.4Å; L69-F74 HydrophobicContact CD2-CE2 4.45Å; N72-F74 HydrophobicContact CB-CD2 3.67Å; N72-F74 HydrophobicContact CB-CE2 3.79Å; N72-F74 HydrophobicContact CB-CG 4.48Å; F74-N96 HydrophobicContact CB-CB 4.42Å; F74-N96 WeakPolarHBondContact CB-OD1 3.41Å; F74-N96 WeakPolarHBondContact CD2-OD1 3.17Å; F74-N96 PolarHBondContact N-OD1 2.88Å; F74-E97 CarbonylContact O-C 3.17Å; F74-E97 WeakPolarHBondContact O-CA 3.44Å; F74-E97 PolarHBondContact O-N 3.16Å; F74-I98 WeakPolarHBondContact O-CA 3.31Å; F74-I98 PolarHBondContact O-N 3.04Å; F74-I98 VanDerWaalsContact O-N 3.07Å | ||
| 75 | V | 96.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | trans | -104 | -53.4 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | V48 Y73 E97 I99 | V48-V75 HydrophobicContact CG1-CB 4.47Å; V48-V75 HydrophobicContact CG1-CG2 4.26Å; V48-V75 PolarHBondContact O-N 2.88Å; Y73-V75 WeakPolarHBondContact O-CG2 3.15Å; Y73-V75 PolarHBondContact O-N 3.49Å; V75-E97 VanDerWaalsContact CA-O 3.31Å; V75-E97 WeakPolarHBondContact CA-O 3.25Å; V75-E97 HydrophobicContact CG2-CB 3.98Å; V75-I99 HydrophobicContact CG1-CD1 3.61Å; V75-I99 HydrophobicContact CG1-CG1 3.8Å; V75-I99 PolarHBondContact O-N 3.16Å | ||
| 76 | N | 95.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 30.3 Ų | 30.3 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.1 | -175.6 | -56.9 | -54.2 | 0 | 0 | 0 | 109.6 | V48 T49 L50 | V48-N76 PolarHBondContact O-N 3.18Å; T49-N76 CarbonylContact C-O 3.57Å; T49-N76 WeakPolarHBondContact CA-O 3.32Å; T49-N76 HydrophobicContact CG2-CB 4.21Å; L50-N76 PolarHBondContact N-O 3.03Å |
| 77 | M | 96.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.2 | 175.1 | -66.1 | -172.9 | -70.4 | 0 | 0 | 109.9 | L50 L93 I98 L100 L107 | L50-M77 HydrophobicContact CB-CG 4.17Å; L50-M77 HydrophobicContact CD2-CG 4.44Å; M77-L93 HydrophobicContact SD-CD1 4.38Å; M77-I98 HydrophobicContact CE-CB 3.98Å; M77-I98 HydrophobicContact CE-CD1 3.6Å; M77-I98 HydrophobicContact CE-CG1 3.59Å; M77-I98 HydrophobicContact CE-CG2 3.21Å; M77-I98 HydrophobicContact SD-CD1 3.76Å; M77-I98 HydrophobicContact SD-CG1 3.94Å; M77-L100 HydrophobicContact CE-CD2 3.97Å; M77-L107 HydrophobicContact CB-CD1 4.21Å; M77-L107 HydrophobicContact CB-CD2 4.14Å; M77-L107 HydrophobicContact CE-CD2 3.54Å; M77-L107 HydrophobicContact SD-CD2 3.66Å |
| 78 | H | 96.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 31.5 Ų | 31.5 | 35% | 0.347 | 18% | 0.175 | S | C | . | . | trans | -68.2 | 138.2 | 172.7 | -167.4 | -78.7 | 0 | 0 | 0 | 110.3 | L50 A52 D80 A81 L107 | L50-H78 WeakPolarHBondContact O-CB 3.5Å; L50-H78 PolarHBondContact O-N 2.96Å; A52-H78 HydrophobicContact CB-CB 4.39Å; A52-H78 VanDerWaalsContact CB-ND1 3.34Å; A52-H78 WeakPolarHBondContact CB-ND1 3.17Å; H78-D80 IonicContact CE1-OD2 2.7Å; H78-D80 PolarHBondContact CE1-OD2 2.98Å; H78-D80 PolarHBondContact ND1-N 2.86Å; H78-D80 VanDerWaalsContact ND1-N 3.13Å; H78-D80 IonicContact ND1-OD2 2.82Å; H78-D80 PolarHBondContact O-N 3.29Å; H78-A81 HydrophobicContact CB-CB 4.47Å; H78-A81 WeakPolarHBondContact O-CB 3.48Å; H78-A81 PolarHBondContact O-N 3.02Å; H78-L107 VanDerWaalsContact O-CD1 3.25Å; H78-L107 WeakPolarHBondContact O-CD1 3.36Å | ||
| 79 | P | 95.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.7 | -179.1 | 16 | -29.5 | 0 | 0 | 0 | 114.2 | A81 E103 L107 | P79-A81 VanDerWaalsContact C-N 3.32Å; P79-A81 PolarHBondContact O-N 2.81Å; P79-E103 WeakPolarHBondContact CB-O 3.24Å; P79-L107 WeakPolarHBondContact O-CA 3.42Å |
| 80 | D | 94.7 | Very high | 96.4 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 16.2 | 177.4 | -55.8 | -53.6 | 0 | 0 | 0 | 114.1 | S53 H78 F82 S83 | S53-D80 PolarHBondContact N-O 2.82Å; H78-D80 IonicContact CE1-OD2 2.7Å; H78-D80 PolarHBondContact CE1-OD2 2.98Å; H78-D80 PolarHBondContact ND1-N 2.86Å; H78-D80 VanDerWaalsContact ND1-N 3.13Å; H78-D80 IonicContact ND1-OD2 2.82Å; H78-D80 PolarHBondContact O-N 3.29Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.39Å; D80-S83 VanDerWaalsContact O-CB 3.3Å; D80-S83 WeakPolarHBondContact O-CB 3.38Å; D80-S83 PolarHBondContact O-N 3.44Å; D80-S83 PolarHBondContact O-OG 3.41Å |
| 81 | A | 95.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -39.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L50 P51 V54 H78 P79 L107 | L50-A81 HydrophobicContact CB-CB 4.47Å; L50-A81 HydrophobicContact CD2-CB 3.58Å; L50-A81 HydrophobicContact CG-CB 3.76Å; P51-A81 VanDerWaalsContact O-CA 3.3Å; P51-A81 WeakPolarHBondContact O-CA 3.24Å; P51-A81 WeakPolarHBondContact O-CB 3.05Å; V54-A81 PolarHBondContact N-O 3.38Å; H78-A81 HydrophobicContact CB-CB 4.47Å; H78-A81 WeakPolarHBondContact O-CB 3.48Å; H78-A81 PolarHBondContact O-N 3.02Å; P79-A81 VanDerWaalsContact C-N 3.32Å; P79-A81 PolarHBondContact O-N 2.81Å; A81-L107 HydrophobicContact CB-CD1 4.01Å |
| 82 | F | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.5 | -178.1 | -55.8 | -55 | 0 | 0 | 0 | 114.7 | L50 L67 L69 D80 M85 L91 L93 L107 L108 L111 | L50-F82 HydrophobicContact CD2-CD1 4.47Å; L50-F82 HydrophobicContact CD2-CE1 3.64Å; L50-F82 HydrophobicContact CD2-CE2 4.45Å; L50-F82 HydrophobicContact CD2-CZ 3.61Å; L67-F82 HydrophobicContact CD2-CD1 3.9Å; L67-F82 HydrophobicContact CD2-CE1 3.86Å; L69-F82 HydrophobicContact CD1-CE1 4.08Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.39Å; F82-M85 HydrophobicContact CB-CE 3.89Å; F82-M85 HydrophobicContact CD1-CE 3.9Å; F82-M85 HydrophobicContact CG-CE 4.4Å; F82-M85 WeakPolarHBondContact O-CE 3.41Å; F82-L91 HydrophobicContact CD1-CD1 4.48Å; F82-L91 HydrophobicContact CD2-CD2 4.15Å; F82-L91 HydrophobicContact CE1-CD1 3.81Å; F82-L91 HydrophobicContact CE1-CD2 4.26Å; F82-L91 HydrophobicContact CE2-CD2 3.69Å; F82-L91 HydrophobicContact CZ-CD1 3.91Å; F82-L91 HydrophobicContact CZ-CD2 3.77Å; F82-L91 HydrophobicContact CZ-CG 4.46Å; F82-L93 HydrophobicContact CE2-CD1 4.46Å; F82-L93 HydrophobicContact CZ-CD1 4.15Å; F82-L93 HydrophobicContact CZ-CD2 4.24Å; F82-L107 HydrophobicContact CD2-CD1 3.7Å; F82-L107 HydrophobicContact CD2-CG 3.81Å; F82-L107 HydrophobicContact CE2-CD1 3.68Å; F82-L107 HydrophobicContact CE2-CD2 3.97Å; F82-L107 HydrophobicContact CE2-CG 3.67Å; F82-L108 HydrophobicContact CD2-CD2 4.44Å; F82-L108 HydrophobicContact CE2-CD2 4.39Å; F82-L111 HydrophobicContact CB-CD1 4.17Å; F82-L111 HydrophobicContact CB-CD2 3.9Å; F82-L111 HydrophobicContact CB-CG 4.2Å; F82-L111 HydrophobicContact CD2-CD1 4.09Å; F82-L111 HydrophobicContact CG-CD1 4.23Å |
| 83 | S | 94.2 | Very high | 96.4 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 144.2 | 171.9 | -69 | 0 | 0 | 0 | 0 | 111.3 | D80 | D80-S83 VanDerWaalsContact O-CB 3.3Å; D80-S83 WeakPolarHBondContact O-CB 3.38Å; D80-S83 PolarHBondContact O-N 3.44Å; D80-S83 PolarHBondContact O-OG 3.41Å |
| 84 | G | 93 | Very high | 96.5 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 12.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N60 H61 | N60-G84 WeakPolarHBondContact CA-O 3.35Å; N60-G84 PolarHBondContact OD1-O 3.36Å; H61-G84 PolarHBondContact N-O 3.23Å |
| 85 | M | 95 | Very high | 96.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -132.1 | 62.1 | 176.5 | -59.9 | 170.9 | -74.6 | 0 | 0 | 111.4 | V54 F55 L64 L67 F82 D87 L88 | V54-M85 HydrophobicContact CG1-CE 4.12Å; F55-M85 HydrophobicContact CD2-CG 4.46Å; F55-M85 HydrophobicContact CD2-SD 3.95Å; F55-M85 HydrophobicContact CE2-CG 4.41Å; F55-M85 HydrophobicContact CE2-SD 3.47Å; F55-M85 WeakPolarHBondContact CE2-SD 3.28Å; L64-M85 HydrophobicContact CD2-CB 4.4Å; L64-M85 HydrophobicContact CD2-CG 3.72Å; L64-M85 HydrophobicContact CD2-SD 3.26Å; L64-M85 WeakPolarHBondContact CD2-SD 3.44Å; L67-M85 HydrophobicContact CD2-CE 4.02Å; L67-M85 HydrophobicContact CD2-SD 3.97Å; F82-M85 HydrophobicContact CB-CE 3.89Å; F82-M85 HydrophobicContact CD1-CE 3.9Å; F82-M85 HydrophobicContact CG-CE 4.4Å; F82-M85 WeakPolarHBondContact O-CE 3.41Å; M85-D87 PolarHBondContact O-N 3.39Å; M85-L88 HydrophobicContact CB-CB 4.28Å; M85-L88 WeakPolarHBondContact O-CB 3.4Å; M85-L88 PolarHBondContact O-N 3.4Å | ||
| 86 | P | 92.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.2 | -171.5 | 28.8 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 87 | D | 96.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 11.7 | -178.8 | -83.9 | 15.8 | 0 | 0 | 0 | 113.5 | P62 L64 M85 R89 K113 | P62-D87 VanDerWaalsContact O-CB 3.31Å; P62-D87 WeakPolarHBondContact O-CB 3.42Å; L64-D87 CarbonylContact O-C 3.35Å; M85-D87 PolarHBondContact O-N 3.39Å; D87-R89 PolarHBondContact O-N 3.33Å; D87-K113 WeakPolarHBondContact OD1-CE 3.32Å; D87-K113 IonicContact OD1-NZ 3.68Å; D87-K113 PolarHBondContact OD1-NZ 3.07Å; D87-K113 IonicContact OD2-NZ 3.67Å |
| 88 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -64.9 | 126.2 | 179.6 | -162 | 76.4 | 0 | 0 | 0 | 110.4 | L64 L67 M85 L91 L111 K113 L114 | L64-L88 HydrophobicContact CD2-CD1 3.93Å; L64-L88 HydrophobicContact CG-CD1 4.04Å; L64-L88 WeakPolarHBondContact O-CA 3.25Å; L64-L88 PolarHBondContact O-N 2.84Å; L67-L88 HydrophobicContact CB-CD1 3.72Å; L67-L88 HydrophobicContact CB-CD2 4.18Å; M85-L88 HydrophobicContact CB-CB 4.28Å; M85-L88 WeakPolarHBondContact O-CB 3.4Å; M85-L88 PolarHBondContact O-N 3.4Å; L88-L91 HydrophobicContact CD2-CB 4.16Å; L88-L91 HydrophobicContact CD2-CD1 4.47Å; L88-L111 HydrophobicContact CB-CD2 4Å; L88-L111 HydrophobicContact CD2-CD1 4.18Å; L88-L111 HydrophobicContact CD2-CD2 3.77Å; L88-K113 CarbonylContact O-C 3.19Å; L88-K113 VanDerWaalsContact O-C 3.28Å; L88-L114 HydrophobicContact CD2-CD1 4.35Å; L88-L114 HydrophobicContact CG-CD1 4.46Å; L88-L114 WeakPolarHBondContact O-CA 3.42Å; L88-L114 PolarHBondContact O-N 2.68Å | ||
| 89 | R | 98.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 30.4 Ų | 30.4 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | trans | -110 | -28.8 | -180 | -65.9 | 176.1 | -177 | -130.9 | 4 | 112.5 | K65 D87 E115 S116 | K65-R89 PolarHBondContact O-N 2.83Å; D87-R89 PolarHBondContact O-N 3.33Å; R89-E115 HydrophobicContact CB-CB 4.36Å; R89-E115 HydrophobicContact CB-CG 4.25Å; R89-E115 WeakPolarHBondContact CD-OE1 3.42Å; R89-E115 HydrophobicContact CG-CG 4.34Å; R89-E115 IonicContact CZ-OE1 2.84Å; R89-E115 IonicContact NE-OE1 3.43Å; R89-E115 IonicContact NH1-OE1 3.49Å; R89-E115 PolarHBondContact NH1-OE1 2.93Å; R89-E115 IonicContact NH1-OE2 3.96Å; R89-E115 CarbonylContact O-C 3.56Å; R89-E115 WeakPolarHBondContact O-CA 3.49Å; R89-E115 PolarHBondContact O-N 3.31Å; R89-S116 PolarHBondContact O-N 2.72Å | ||
| 90 | F | 98.9 | Very high | 96.7 | Very high | 45 Ų | 45 | 29.3 Ų | 29.3 | 20% | 0.197 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.3 | -176.1 | 178.4 | -89.9 | 0 | 0 | 0 | 110.1 | K65 S66 L67 D92 R118 | K65-F90 PolarHBondContact O-N 3.09Å; S66-F90 WeakPolarHBondContact CA-O 3.26Å; S66-F90 VanDerWaalsContact OG-CD1 3.25Å; S66-F90 WeakPolarHBondContact OG-CD1 3.43Å; L67-F90 PolarHBondContact N-O 3.06Å; F90-D92 HydrophobicContact CD1-CB 4.49Å; F90-D92 HydrophobicContact CE1-CB 3.56Å; F90-D92 HydrophobicContact CZ-CB 3.77Å; F90-R118 HydrophobicContact CE2-CG 4.41Å |
| 91 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.2 | 173.9 | 177.1 | 59.9 | 0 | 0 | 0 | 109.5 | L67 F82 L88 L93 L108 L111 L114 S116 L117 R118 | L67-L91 HydrophobicContact CB-CD1 4.26Å; L67-L91 HydrophobicContact CD2-CD1 4.07Å; L67-L91 HydrophobicContact CG-CD1 4.17Å; L67-L91 WeakPolarHBondContact O-CA 3.25Å; F82-L91 HydrophobicContact CD1-CD1 4.48Å; F82-L91 HydrophobicContact CD2-CD2 4.15Å; F82-L91 HydrophobicContact CE1-CD1 3.81Å; F82-L91 HydrophobicContact CE1-CD2 4.26Å; F82-L91 HydrophobicContact CE2-CD2 3.69Å; F82-L91 HydrophobicContact CZ-CD1 3.91Å; F82-L91 HydrophobicContact CZ-CD2 3.77Å; F82-L91 HydrophobicContact CZ-CG 4.46Å; L88-L91 HydrophobicContact CD2-CB 4.16Å; L88-L91 HydrophobicContact CD2-CD1 4.47Å; L91-L93 HydrophobicContact CD1-CG 4.22Å; L91-L93 HydrophobicContact CD2-CD1 4.09Å; L91-L93 HydrophobicContact CG-CD1 4.25Å; L91-L93 HydrophobicContact CG-CG 4.2Å; L91-L108 HydrophobicContact CD2-CD2 3.92Å; L91-L111 HydrophobicContact CD2-CD1 3.75Å; L91-L114 HydrophobicContact CB-CD1 3.81Å; L91-S116 PolarHBondContact N-O 3.24Å; L91-L117 HydrophobicContact CB-CD1 4.27Å; L91-L117 HydrophobicContact CD2-CD1 3.96Å; L91-L117 HydrophobicContact CG-CD1 4.17Å; L91-R118 PolarHBondContact O-N 3.17Å |
| 92 | D | 98.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113 | 177.3 | -159.4 | -23.1 | 0 | 0 | 0 | 111 | L67 N68 L69 S70 F90 T94 R118 | L67-D92 PolarHBondContact O-N 3.04Å; N68-D92 HydrophobicContact CB-CB 4.34Å; L69-D92 CarbonylContact C-O 3.58Å; L69-D92 WeakPolarHBondContact CA-O 3.4Å; L69-D92 PolarHBondContact N-O 2.93Å; S70-D92 PolarHBondContact N-O 2.99Å; F90-D92 HydrophobicContact CD1-CB 4.49Å; F90-D92 HydrophobicContact CE1-CB 3.56Å; F90-D92 HydrophobicContact CZ-CB 3.77Å; D92-T94 WeakPolarHBondContact OD1-CB 3.26Å; D92-T94 PolarHBondContact OD1-N 3.3Å; D92-T94 PolarHBondContact OD1-OG1 3.24Å; D92-R118 HydrophobicContact CB-CB 4.39Å; D92-R118 VanDerWaalsContact OD2-CD 3.26Å; D92-R118 WeakPolarHBondContact OD2-CD 3.44Å; D92-R118 IonicContact OD2-NH1 2.68Å; D92-R118 PolarHBondContact OD2-NH1 2.96Å |
| 93 | L | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | trans | -115.4 | 17.7 | 175.8 | -68.1 | 167.9 | 0 | 0 | 0 | 111.1 | L69 M77 F82 L91 N96 I98 R118 L119 | L69-L93 HydrophobicContact CB-CD2 4.02Å; L69-L93 HydrophobicContact CD1-CD2 4.19Å; M77-L93 HydrophobicContact SD-CD1 4.38Å; F82-L93 HydrophobicContact CE2-CD1 4.46Å; F82-L93 HydrophobicContact CZ-CD1 4.15Å; F82-L93 HydrophobicContact CZ-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CG 4.22Å; L91-L93 HydrophobicContact CD2-CD1 4.09Å; L91-L93 HydrophobicContact CG-CD1 4.25Å; L91-L93 HydrophobicContact CG-CG 4.2Å; L93-N96 PolarHBondContact O-ND2 3.27Å; L93-I98 HydrophobicContact CB-CD1 4.16Å; L93-I98 HydrophobicContact CD1-CD1 4.27Å; L93-R118 PolarHBondContact N-O 2.6Å; L93-L119 HydrophobicContact CB-CD2 4.02Å; L93-L119 HydrophobicContact CD1-CD2 4.01Å | ||
| 94 | T | 98.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | trans | -55 | 143 | -179.2 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | S70 A71 D92 N96 R120 | S70-T94 CarbonylContact C-O 3.57Å; S70-T94 WeakPolarHBondContact CA-O 3.4Å; S70-T94 WeakPolarHBondContact CB-O 3.17Å; A71-T94 PolarHBondContact N-O 2.96Å; D92-T94 WeakPolarHBondContact OD1-CB 3.26Å; D92-T94 PolarHBondContact OD1-N 3.3Å; D92-T94 PolarHBondContact OD1-OG1 3.24Å; T94-N96 PolarHBondContact O-ND2 3.31Å; T94-R120 CarbonylContact C-O 3.6Å; T94-R120 WeakPolarHBondContact CA-O 3.23Å; T94-R120 HydrophobicContact CG2-CB 3.84Å; T94-R120 HydrophobicContact CG2-CG 4.04Å; T94-R120 WeakPolarHBondContact CG2-O 3.36Å | ||
| 95 | D | 98.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 57.8 | 68.5 | 175.5 | -161.3 | 24.7 | 0 | 0 | 0 | 111.8 | A71 N72 R120 K121 | A71-D95 CarbonylContact C-O 3.22Å; A71-D95 WeakPolarHBondContact CA-O 3.05Å; A71-D95 HydrophobicContact CB-CB 4.44Å; A71-D95 PolarHBondContact N-O 2.62Å; A71-D95 VanDerWaalsContact N-O 3.13Å; N72-D95 PolarHBondContact N-O 3.42Å; N72-D95 VanDerWaalsContact N-O 3.16Å; D95-R120 PolarHBondContact N-O 3.14Å; D95-K121 WeakPolarHBondContact CA-O 3.4Å; D95-K121 PolarHBondContact N-O 2.95Å; D95-K121 VanDerWaalsContact OD1-CD 3.31Å; D95-K121 WeakPolarHBondContact OD1-CD 3.18Å; D95-K121 VanDerWaalsContact OD1-CE 3.29Å; D95-K121 WeakPolarHBondContact OD1-CE 3.44Å; D95-K121 IonicContact OD1-NZ 3.24Å; D95-K121 PolarHBondContact OD1-NZ 3.35Å |
| 96 | N | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -138.5 | -174.1 | 176.1 | -85 | -71.5 | 0 | 0 | 0 | 109.5 | L69 N72 F74 L93 T94 I98 K121 A122 | L69-N96 PolarHBondContact O-ND2 2.94Å; L69-N96 VanDerWaalsContact O-ND2 3.11Å; N72-N96 WeakPolarHBondContact CA-OD1 3.49Å; N72-N96 VanDerWaalsContact CB-OD1 3.25Å; N72-N96 WeakPolarHBondContact CB-OD1 3.3Å; N72-N96 PolarHBondContact O-OD1 3.17Å; F74-N96 HydrophobicContact CB-CB 4.42Å; F74-N96 WeakPolarHBondContact CB-OD1 3.41Å; F74-N96 WeakPolarHBondContact CD2-OD1 3.17Å; F74-N96 PolarHBondContact N-OD1 2.88Å; L93-N96 PolarHBondContact O-ND2 3.27Å; T94-N96 PolarHBondContact O-ND2 3.31Å; N96-I98 HydrophobicContact CB-CD1 4.26Å; N96-I98 HydrophobicContact CB-CG1 4.22Å; N96-K121 PolarHBondContact N-O 3.31Å; N96-K121 VanDerWaalsContact N-O 3.09Å; N96-A122 CarbonylContact C-O 3.45Å; N96-A122 VanDerWaalsContact C-O 3.28Å; N96-A122 CarbonylContact O-C 2.97Å | ||
| 97 | E | 96.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | trans | -128.1 | 41 | -175.1 | -65 | -75 | 170.6 | 0 | 0 | 110.4 | F74 V75 A122 R124 | F74-E97 CarbonylContact O-C 3.17Å; F74-E97 WeakPolarHBondContact O-CA 3.44Å; F74-E97 PolarHBondContact O-N 3.16Å; V75-E97 VanDerWaalsContact CA-O 3.31Å; V75-E97 WeakPolarHBondContact CA-O 3.25Å; V75-E97 HydrophobicContact CG2-CB 3.98Å; E97-A122 PolarHBondContact N-O 2.88Å; E97-R124 HydrophobicContact CB-CB 4.34Å; E97-R124 HydrophobicContact CB-CG 4.34Å; E97-R124 WeakPolarHBondContact O-CB 3.12Å; E97-R124 VanDerWaalsContact OE2-CA 3.26Å; E97-R124 WeakPolarHBondContact OE2-CA 3.35Å; E97-R124 WeakPolarHBondContact OE2-CG 3.29Å | ||
| 98 | I | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 137.9 | -169.9 | -74.6 | 162.7 | 0 | 0 | 0 | 111.1 | F74 M77 L93 N96 L100 A122 F123 R124 | F74-I98 WeakPolarHBondContact O-CA 3.31Å; F74-I98 PolarHBondContact O-N 3.04Å; F74-I98 VanDerWaalsContact O-N 3.07Å; M77-I98 HydrophobicContact CE-CB 3.98Å; M77-I98 HydrophobicContact CE-CD1 3.6Å; M77-I98 HydrophobicContact CE-CG1 3.59Å; M77-I98 HydrophobicContact CE-CG2 3.21Å; M77-I98 HydrophobicContact SD-CD1 3.76Å; M77-I98 HydrophobicContact SD-CG1 3.94Å; L93-I98 HydrophobicContact CB-CD1 4.16Å; L93-I98 HydrophobicContact CD1-CD1 4.27Å; N96-I98 HydrophobicContact CB-CD1 4.26Å; N96-I98 HydrophobicContact CB-CG1 4.22Å; I98-L100 HydrophobicContact CG2-CD2 3.65Å; I98-L100 HydrophobicContact CG2-CG 4.08Å; I98-A122 VanDerWaalsContact CB-O 3.24Å; I98-A122 WeakPolarHBondContact CB-O 3.15Å; I98-A122 HydrophobicContact CD1-CB 4.37Å; I98-A122 PolarHBondContact N-O 3.05Å; I98-F123 HydrophobicContact CB-CD1 4.38Å; I98-F123 HydrophobicContact CG2-CD1 4.11Å; I98-F123 HydrophobicContact CG2-CE1 4.3Å; I98-F123 WeakPolarHBondContact O-CA 3.49Å; I98-R124 PolarHBondContact O-N 3.04Å; I98-R124 VanDerWaalsContact O-N 3.11Å |
| 99 | I | 96.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | trans | -115 | 107.9 | 166.4 | -51.8 | -177.5 | 0 | 0 | 0 | 108.7 | V75 R124 M127 | V75-I99 HydrophobicContact CG1-CD1 3.61Å; V75-I99 HydrophobicContact CG1-CG1 3.8Å; V75-I99 PolarHBondContact O-N 3.16Å; I99-R124 HydrophobicContact CG1-CB 4.09Å; I99-M127 HydrophobicContact CB-SD 4.24Å; I99-M127 HydrophobicContact CD1-SD 3.91Å; I99-M127 HydrophobicContact CG1-SD 3.61Å; I99-M127 HydrophobicContact CG2-CE 3.83Å; I99-M127 HydrophobicContact CG2-SD 3.94Å | ||
| 100 | L | 96.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | trans | -73.3 | 140.4 | 168.2 | -57.1 | -174.9 | 0 | 0 | 0 | 110.1 | M77 I98 F123 Q132 L135 L136 M139 | M77-L100 HydrophobicContact CE-CD2 3.97Å; I98-L100 HydrophobicContact CG2-CD2 3.65Å; I98-L100 HydrophobicContact CG2-CG 4.08Å; L100-F123 HydrophobicContact CD1-CE1 3.73Å; L100-F123 HydrophobicContact CD1-CZ 4.27Å; L100-F123 HydrophobicContact CG-CD1 4.49Å; L100-F123 HydrophobicContact CG-CE1 3.91Å; L100-Q132 PolarHBondContact O-NE2 2.8Å; L100-Q132 VanDerWaalsContact O-NE2 3.11Å; L100-L135 HydrophobicContact CB-CB 4.01Å; L100-L135 HydrophobicContact CB-CD1 3.91Å; L100-L135 HydrophobicContact CD1-CB 4.35Å; L100-L135 WeakPolarHBondContact O-CD1 3.19Å; L100-L136 HydrophobicContact CD1-CB 3.99Å; L100-M139 HydrophobicContact CD1-CE 4.05Å; L100-M139 HydrophobicContact CD2-CE 3.54Å; L100-M139 HydrophobicContact CG-CE 4.31Å | ||
| 101 | S | 96 | Very high | 97.1 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | trans | -141.5 | 173 | 175.2 | 77.7 | 0 | 0 | 0 | 0 | 110.3 | E103 T104 | S101-E103 PolarHBondContact O-N 3.24Å; S101-E103 PolarHBondContact OG-N 2.92Å; S101-T104 PolarHBondContact N-OG1 2.69Å; S101-T104 PolarHBondContact O-N 2.95Å; S101-T104 PolarHBondContact O-OG1 3.09Å | ||
| 102 | Q | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 41.1 Ų | 41.1 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -56.5 | -31.6 | 175.6 | -70.1 | -66.4 | -32.7 | 0 | 0 | 112.9 | T104 L105 | Q102-T104 VanDerWaalsContact C-N 3.3Å; Q102-T104 PolarHBondContact O-N 3.19Å; Q102-L105 WeakPolarHBondContact O-CG 3.46Å |
| 103 | E | 95.5 | Very high | 96.9 | Very high | 155 Ų | 155 | 44.7 Ų | 44.7 | 72% | 0.724 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -69.8 | -29.4 | 177.9 | -62.4 | 175.9 | 178.6 | 0 | 0 | 112 | P79 S101 L105 | P79-E103 WeakPolarHBondContact CB-O 3.24Å; S101-E103 PolarHBondContact O-N 3.24Å; S101-E103 PolarHBondContact OG-N 2.92Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.48Å |
| 104 | T | 95.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -82.6 | -3.6 | -177.7 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | S101 Q102 N106 L107 M139 | S101-T104 PolarHBondContact N-OG1 2.69Å; S101-T104 PolarHBondContact O-N 2.95Å; S101-T104 PolarHBondContact O-OG1 3.09Å; Q102-T104 VanDerWaalsContact C-N 3.3Å; Q102-T104 PolarHBondContact O-N 3.19Å; T104-N106 PolarHBondContact O-N 3.13Å; T104-L107 WeakPolarHBondContact O-CB 3.26Å; T104-L107 PolarHBondContact O-N 3.49Å; T104-M139 VanDerWaalsContact O-CE 3.25Å; T104-M139 WeakPolarHBondContact O-CE 3.45Å |
| 105 | L | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.7 | -172.6 | -67.2 | 178.1 | 0 | 0 | 0 | 114.6 | Q102 E103 L135 E138 M139 | Q102-L105 WeakPolarHBondContact O-CG 3.46Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.48Å; L105-L135 HydrophobicContact CD2-CB 4.44Å; L105-L135 HydrophobicContact CD2-CD2 4.22Å; L105-L135 WeakPolarHBondContact CD2-O 3.24Å; L105-E138 HydrophobicContact CD2-CB 3.85Å; L105-M139 HydrophobicContact CD2-CB 4.24Å |
| 106 | N | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -97.1 | 2.5 | 174.9 | -66.3 | -45.6 | 0 | 0 | 0 | 113.6 | T104 L108 K109 | T104-N106 PolarHBondContact O-N 3.13Å; N106-L108 VanDerWaalsContact C-N 3.3Å; N106-L108 PolarHBondContact O-N 3.49Å; N106-K109 WeakPolarHBondContact O-CB 3.38Å; N106-K109 PolarHBondContact O-N 2.8Å |
| 107 | L | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -43.6 | -172.5 | 179.4 | 67.9 | 0 | 0 | 0 | 113.7 | M77 H78 P79 A81 F82 T104 M139 | M77-L107 HydrophobicContact CB-CD1 4.21Å; M77-L107 HydrophobicContact CB-CD2 4.14Å; M77-L107 HydrophobicContact CE-CD2 3.54Å; M77-L107 HydrophobicContact SD-CD2 3.66Å; H78-L107 VanDerWaalsContact O-CD1 3.25Å; H78-L107 WeakPolarHBondContact O-CD1 3.36Å; P79-L107 WeakPolarHBondContact O-CA 3.42Å; A81-L107 HydrophobicContact CB-CD1 4.01Å; F82-L107 HydrophobicContact CD2-CD1 3.7Å; F82-L107 HydrophobicContact CD2-CG 3.81Å; F82-L107 HydrophobicContact CE2-CD1 3.68Å; F82-L107 HydrophobicContact CE2-CD2 3.97Å; F82-L107 HydrophobicContact CE2-CG 3.67Å; T104-L107 WeakPolarHBondContact O-CB 3.26Å; T104-L107 PolarHBondContact O-N 3.49Å; L107-M139 HydrophobicContact CB-CE 4.47Å; L107-M139 HydrophobicContact CB-SD 4.11Å; L107-M139 HydrophobicContact CD2-SD 4.47Å |
| 108 | L | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6.1 | -176.7 | -58.9 | 176.6 | 0 | 0 | 0 | 113.4 | F82 L91 N106 P110 L111 L117 M139 L140 A143 L145 | F82-L108 HydrophobicContact CD2-CD2 4.44Å; F82-L108 HydrophobicContact CE2-CD2 4.39Å; L91-L108 HydrophobicContact CD2-CD2 3.92Å; N106-L108 VanDerWaalsContact C-N 3.3Å; N106-L108 PolarHBondContact O-N 3.49Å; L108-P110 VanDerWaalsContact C-CD 3.4Å; L108-P110 VanDerWaalsContact C-N 3.33Å; L108-L111 HydrophobicContact CD2-CD1 3.86Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-L117 HydrophobicContact CD1-CD2 3.71Å; L108-L117 HydrophobicContact CD2-CD1 4.45Å; L108-M139 HydrophobicContact CD1-CG 4.18Å; L108-M139 HydrophobicContact CD1-SD 3.74Å; L108-M139 HydrophobicContact CG-CG 4.28Å; L108-M139 HydrophobicContact CG-SD 3.74Å; L108-L140 HydrophobicContact CD1-CD2 4.18Å; L108-A143 HydrophobicContact CB-CB 3.77Å; L108-L145 HydrophobicContact CD1-CD1 4.27Å |
| 109 | K | 96.5 | Very high | 97.1 | Very high | 122 Ų | 122 | 46.7 Ų | 46.7 | 53% | 0.53 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.6 | -175.6 | -171 | 179.1 | -178.8 | 178 | 0 | 114.4 | N106 L111 | N106-K109 WeakPolarHBondContact O-CB 3.38Å; N106-K109 PolarHBondContact O-N 2.8Å; K109-L111 PolarHBondContact O-N 3.07Å |
| 110 | P | 95 | Very high | 97.2 | Very high | 39 Ų | 39 | 47 Ų | 47 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.4 | 176.5 | -21.3 | 34.7 | 0 | 0 | 0 | 114.5 | L108 V112 | L108-P110 VanDerWaalsContact C-CD 3.4Å; L108-P110 VanDerWaalsContact C-N 3.33Å; P110-V112 VanDerWaalsContact C-N 3.35Å; P110-V112 PolarHBondContact O-N 3.03Å |
| 111 | L | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -93.9 | 50.4 | -165.7 | -53.7 | -177.3 | 0 | 0 | 0 | 112.8 | F82 L88 L91 L108 K109 K113 L114 L145 | F82-L111 HydrophobicContact CB-CD1 4.17Å; F82-L111 HydrophobicContact CB-CD2 3.9Å; F82-L111 HydrophobicContact CB-CG 4.2Å; F82-L111 HydrophobicContact CD2-CD1 4.09Å; F82-L111 HydrophobicContact CG-CD1 4.23Å; L88-L111 HydrophobicContact CB-CD2 4Å; L88-L111 HydrophobicContact CD2-CD1 4.18Å; L88-L111 HydrophobicContact CD2-CD2 3.77Å; L91-L111 HydrophobicContact CD2-CD1 3.75Å; L108-L111 HydrophobicContact CD2-CD1 3.86Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.07Å; K109-L111 PolarHBondContact O-N 3.07Å; L111-K113 PolarHBondContact O-N 3.03Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 HydrophobicContact CB-CD2 4.43Å; L111-L114 HydrophobicContact CD1-CD1 4.42Å; L111-L114 HydrophobicContact CD1-CD2 4.23Å; L111-L114 VanDerWaalsContact O-CB 3.23Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 3.49Å; L111-L145 WeakPolarHBondContact O-CD2 3.42Å | ||
| 112 | V | 94.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 47% | 0.473 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | -171.9 | -60.3 | 0 | 0 | 0 | 0 | 115.2 | P110 H147 | P110-V112 VanDerWaalsContact C-N 3.35Å; P110-V112 PolarHBondContact O-N 3.03Å; V112-H147 PolarHBondContact O-ND1 3.01Å |
| 113 | K | 97.8 | Very high | 97.3 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 12 | 176.6 | -65.8 | -173.7 | -177.9 | 168.7 | 0 | 113.2 | D87 L88 L111 E115 | D87-K113 WeakPolarHBondContact OD1-CE 3.32Å; D87-K113 IonicContact OD1-NZ 3.68Å; D87-K113 PolarHBondContact OD1-NZ 3.07Å; D87-K113 IonicContact OD2-NZ 3.67Å; L88-K113 CarbonylContact O-C 3.19Å; L88-K113 VanDerWaalsContact O-C 3.28Å; L111-K113 PolarHBondContact O-N 3.03Å; K113-E115 PolarHBondContact O-N 3.4Å |
| 114 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -64.5 | 124.4 | -178 | -161.9 | 70 | 0 | 0 | 0 | 110.1 | L88 L91 L111 L117 L145 H147 L148 | L88-L114 HydrophobicContact CD2-CD1 4.35Å; L88-L114 HydrophobicContact CG-CD1 4.46Å; L88-L114 WeakPolarHBondContact O-CA 3.42Å; L88-L114 PolarHBondContact O-N 2.68Å; L91-L114 HydrophobicContact CB-CD1 3.81Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 HydrophobicContact CB-CD2 4.43Å; L111-L114 HydrophobicContact CD1-CD1 4.42Å; L111-L114 HydrophobicContact CD1-CD2 4.23Å; L111-L114 VanDerWaalsContact O-CB 3.23Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 3.49Å; L114-L117 HydrophobicContact CD2-CB 3.97Å; L114-L117 HydrophobicContact CD2-CD1 4.31Å; L114-L145 HydrophobicContact CB-CD2 4.32Å; L114-L145 HydrophobicContact CD2-CD1 4.2Å; L114-H147 CarbonylContact O-C 3.31Å; L114-L148 HydrophobicContact CB-CD1 4.28Å; L114-L148 HydrophobicContact CD2-CD1 3.99Å; L114-L148 HydrophobicContact CG-CD1 3.92Å; L114-L148 VanDerWaalsContact O-CA 3.24Å; L114-L148 WeakPolarHBondContact O-CA 3.34Å; L114-L148 PolarHBondContact O-N 2.98Å; L114-L148 VanDerWaalsContact O-N 3.14Å | ||
| 115 | E | 98.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 45 Ų | 45 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | trans | -104.4 | -28.5 | 179.7 | -67 | 168.4 | -174.2 | 0 | 0 | 111 | R89 K113 H147 E149 V150 | R89-E115 HydrophobicContact CB-CB 4.36Å; R89-E115 HydrophobicContact CB-CG 4.25Å; R89-E115 WeakPolarHBondContact CD-OE1 3.42Å; R89-E115 HydrophobicContact CG-CG 4.34Å; R89-E115 IonicContact CZ-OE1 2.84Å; R89-E115 IonicContact NE-OE1 3.43Å; R89-E115 IonicContact NH1-OE1 3.49Å; R89-E115 PolarHBondContact NH1-OE1 2.93Å; R89-E115 IonicContact NH1-OE2 3.96Å; R89-E115 CarbonylContact O-C 3.56Å; R89-E115 WeakPolarHBondContact O-CA 3.49Å; R89-E115 PolarHBondContact O-N 3.31Å; K113-E115 PolarHBondContact O-N 3.4Å; E115-H147 WeakPolarHBondContact CA-O 3.47Å; E115-E149 WeakPolarHBondContact O-CA 3.5Å; E115-E149 PolarHBondContact O-N 3.07Å; E115-V150 PolarHBondContact O-N 2.84Å | ||
| 116 | S | 98.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 124.4 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | R89 L91 V150 | R89-S116 PolarHBondContact O-N 2.72Å; L91-S116 PolarHBondContact N-O 3.24Å; S116-V150 WeakPolarHBondContact CA-O 3.45Å |
| 117 | L | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.3 | 174.4 | 177.7 | 59.7 | 0 | 0 | 0 | 108.9 | L91 L108 L114 L119 L140 L148 V150 L151 D152 | L91-L117 HydrophobicContact CB-CD1 4.27Å; L91-L117 HydrophobicContact CD2-CD1 3.96Å; L91-L117 HydrophobicContact CG-CD1 4.17Å; L108-L117 HydrophobicContact CD1-CD2 3.71Å; L108-L117 HydrophobicContact CD2-CD1 4.45Å; L114-L117 HydrophobicContact CD2-CB 3.97Å; L114-L117 HydrophobicContact CD2-CD1 4.31Å; L117-L119 HydrophobicContact CD1-CD1 4.37Å; L117-L119 HydrophobicContact CD1-CG 4.18Å; L117-L119 HydrophobicContact CD2-CD1 3.83Å; L117-L119 HydrophobicContact CD2-CG 4.47Å; L117-L119 HydrophobicContact CG-CD1 3.97Å; L117-L119 HydrophobicContact CG-CG 4.08Å; L117-L140 HydrophobicContact CD2-CD2 4.23Å; L117-L148 HydrophobicContact CB-CD1 3.89Å; L117-L148 HydrophobicContact CB-CD2 4.44Å; L117-V150 PolarHBondContact N-O 3.28Å; L117-L151 HydrophobicContact CB-CD1 4.37Å; L117-L151 HydrophobicContact CD2-CD1 4.12Å; L117-L151 HydrophobicContact CG-CD1 4.31Å; L117-D152 PolarHBondContact O-N 3.05Å |
| 118 | R | 98.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.9 | 176.1 | -61.9 | -179.1 | 177.1 | 176.1 | 0.5 | 110.8 | F90 L91 D92 L93 D152 | F90-R118 HydrophobicContact CE2-CG 4.41Å; L91-R118 PolarHBondContact O-N 3.17Å; D92-R118 HydrophobicContact CB-CB 4.39Å; D92-R118 VanDerWaalsContact OD2-CD 3.26Å; D92-R118 WeakPolarHBondContact OD2-CD 3.44Å; D92-R118 IonicContact OD2-NH1 2.68Å; D92-R118 PolarHBondContact OD2-NH1 2.96Å; L93-R118 PolarHBondContact N-O 2.6Å; R118-D152 HydrophobicContact CB-CB 4.41Å; R118-D152 HydrophobicContact CG-CB 4.21Å |
| 119 | L | 98.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | trans | -128.1 | 32.2 | 179.8 | -71.8 | 168 | 0 | 0 | 0 | 109.9 | L93 L117 K121 A122 L136 D152 L153 N156 | L93-L119 HydrophobicContact CB-CD2 4.02Å; L93-L119 HydrophobicContact CD1-CD2 4.01Å; L117-L119 HydrophobicContact CD1-CD1 4.37Å; L117-L119 HydrophobicContact CD1-CG 4.18Å; L117-L119 HydrophobicContact CD2-CD1 3.83Å; L117-L119 HydrophobicContact CD2-CG 4.47Å; L117-L119 HydrophobicContact CG-CD1 3.97Å; L117-L119 HydrophobicContact CG-CG 4.08Å; L119-K121 PolarHBondContact O-N 2.88Å; L119-A122 HydrophobicContact CB-CB 3.96Å; L119-A122 HydrophobicContact CD2-CB 3.92Å; L119-A122 WeakPolarHBondContact O-CB 3.24Å; L119-A122 PolarHBondContact O-N 3Å; L119-L136 HydrophobicContact CD1-CD1 3.84Å; L119-L136 HydrophobicContact CD1-CD2 4.2Å; L119-D152 CarbonylContact C-O 3.59Å; L119-D152 VanDerWaalsContact C-O 3.29Å; L119-D152 WeakPolarHBondContact CA-O 3.3Å; L119-D152 WeakPolarHBondContact CB-O 3.41Å; L119-D152 PolarHBondContact N-O 3.05Å; L119-L153 HydrophobicContact CB-CD2 3.79Å; L119-L153 HydrophobicContact CD1-CD2 4.04Å; L119-N156 PolarHBondContact O-ND2 2.79Å; L119-N156 PolarHBondContact O-OD1 2.79Å | ||
| 120 | R | 98.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 52.6 Ų | 52.6 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 130.2 | 176.4 | 168.7 | -179.7 | -70.5 | -88.8 | 1.7 | 109.8 | T94 D95 A122 D152 G154 S155 S178 | T94-R120 CarbonylContact C-O 3.6Å; T94-R120 WeakPolarHBondContact CA-O 3.23Å; T94-R120 HydrophobicContact CG2-CB 3.84Å; T94-R120 HydrophobicContact CG2-CG 4.04Å; T94-R120 WeakPolarHBondContact CG2-O 3.36Å; D95-R120 PolarHBondContact N-O 3.14Å; R120-A122 PolarHBondContact O-N 3Å; R120-A122 VanDerWaalsContact O-N 3.16Å; R120-D152 PolarHBondContact N-O 2.83Å; R120-D152 IonicContact NE-OD1 3.37Å; R120-D152 IonicContact NE-OD2 3.62Å; R120-D152 PolarHBondContact NE-OD2 3.42Å; R120-D152 IonicContact NH2-OD1 2.79Å; R120-D152 IonicContact NH2-OD2 2.8Å; R120-G154 CarbonylContact C-O 3.41Å; R120-G154 WeakPolarHBondContact CA-O 3.49Å; R120-G154 WeakPolarHBondContact CG-O 3.35Å; R120-S155 PolarHBondContact NH1-OG 3.19Å; R120-S178 PolarHBondContact NH2-OG 2.97Å |
| 121 | K | 97.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 39% | 0.391 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 44.4 | -179.1 | -163.8 | -171 | 168.9 | -151.8 | 0 | 111.6 | D95 N96 L119 G154 S155 N156 | D95-K121 WeakPolarHBondContact CA-O 3.4Å; D95-K121 PolarHBondContact N-O 2.95Å; D95-K121 VanDerWaalsContact OD1-CD 3.31Å; D95-K121 WeakPolarHBondContact OD1-CD 3.18Å; D95-K121 VanDerWaalsContact OD1-CE 3.29Å; D95-K121 WeakPolarHBondContact OD1-CE 3.44Å; D95-K121 IonicContact OD1-NZ 3.24Å; D95-K121 PolarHBondContact OD1-NZ 3.35Å; N96-K121 PolarHBondContact N-O 3.31Å; N96-K121 VanDerWaalsContact N-O 3.09Å; L119-K121 PolarHBondContact O-N 2.88Å; K121-G154 PolarHBondContact N-O 2.66Å; K121-S155 VanDerWaalsContact CA-O 3.24Å; K121-S155 WeakPolarHBondContact CA-O 3.22Å; K121-N156 WeakPolarHBondContact CA-OD1 3.44Å; K121-N156 PolarHBondContact N-OD1 2.84Å |
| 122 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -93.2 | -27.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N96 E97 I98 L119 R120 N156 | N96-A122 CarbonylContact C-O 3.45Å; N96-A122 VanDerWaalsContact C-O 3.28Å; N96-A122 CarbonylContact O-C 2.97Å; E97-A122 PolarHBondContact N-O 2.88Å; I98-A122 VanDerWaalsContact CB-O 3.24Å; I98-A122 WeakPolarHBondContact CB-O 3.15Å; I98-A122 HydrophobicContact CD1-CB 4.37Å; I98-A122 PolarHBondContact N-O 3.05Å; L119-A122 HydrophobicContact CB-CB 3.96Å; L119-A122 HydrophobicContact CD2-CB 3.92Å; L119-A122 WeakPolarHBondContact O-CB 3.24Å; L119-A122 PolarHBondContact O-N 3Å; R120-A122 PolarHBondContact O-N 3Å; R120-A122 VanDerWaalsContact O-N 3.16Å; A122-N156 PolarHBondContact N-OD1 2.9Å | ||
| 123 | F | 95.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -95.2 | 143.5 | -170.9 | -55 | -60.1 | 0 | 0 | 0 | 113.2 | I98 L100 Q132 L133 L136 N156 | I98-F123 HydrophobicContact CB-CD1 4.38Å; I98-F123 HydrophobicContact CG2-CD1 4.11Å; I98-F123 HydrophobicContact CG2-CE1 4.3Å; I98-F123 WeakPolarHBondContact O-CA 3.49Å; L100-F123 HydrophobicContact CD1-CE1 3.73Å; L100-F123 HydrophobicContact CD1-CZ 4.27Å; L100-F123 HydrophobicContact CG-CD1 4.49Å; L100-F123 HydrophobicContact CG-CE1 3.91Å; F123-Q132 HydrophobicContact CD1-CB 4.26Å; F123-Q132 HydrophobicContact CG-CB 4.29Å; F123-L133 HydrophobicContact CE2-CD2 4.05Å; F123-L136 HydrophobicContact CZ-CD2 4.34Å; F123-N156 HydrophobicContact CD2-CB 4.14Å; F123-N156 WeakPolarHBondContact CD2-OD1 3.4Å |
| 124 | R | 91 | Very high | 94.6 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 39% | 0.389 | 25% | 0.248 | S | C | . | . | trans | -61.3 | 147.4 | -179.8 | -167.4 | 175.3 | 179.8 | 86 | 1.8 | 113.5 | E97 I98 I99 M127 | E97-R124 HydrophobicContact CB-CB 4.34Å; E97-R124 HydrophobicContact CB-CG 4.34Å; E97-R124 WeakPolarHBondContact O-CB 3.12Å; E97-R124 VanDerWaalsContact OE2-CA 3.26Å; E97-R124 WeakPolarHBondContact OE2-CA 3.35Å; E97-R124 WeakPolarHBondContact OE2-CG 3.29Å; I98-R124 PolarHBondContact O-N 3.04Å; I98-R124 VanDerWaalsContact O-N 3.11Å; I99-R124 HydrophobicContact CG1-CB 4.09Å; R124-M127 HydrophobicContact CB-CG 4.03Å; R124-M127 HydrophobicContact CB-SD 3.88Å; R124-M127 HydrophobicContact CG-CG 4.43Å; R124-M127 VanDerWaalsContact O-CB 3.25Å; R124-M127 WeakPolarHBondContact O-CB 3.33Å; R124-M127 WeakPolarHBondContact O-CG 3.21Å | ||
| 125 | I | 84.7 | Confident | 94.5 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -126.5 | 140.9 | 173.1 | -59.9 | 175.3 | 0 | 0 | 0 | 111.1 | Y157 | I125-Y157 HydrophobicContact CD1-CD2 3.2Å; I125-Y157 HydrophobicContact CD1-CE2 3.13Å; I125-Y157 HydrophobicContact CD1-CG 4.02Å; I125-Y157 HydrophobicContact CG1-CD2 4.48Å |
| 126 | P | 82.4 | Confident | 94.5 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 83% | 0.825 | 23% | 0.234 | S | C | * | . | S | Bend | cis | -80.3 | 122.7 | -2.7 | 32 | -32.4 | 0 | 0 | 0 | 111.6 | ||
| 127 | M | 82.1 | Confident | 94.4 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -137.4 | 161.8 | 168.8 | -69 | -154.2 | 69.3 | 0 | 0 | 111 | I99 R124 V129 | I99-M127 HydrophobicContact CB-SD 4.24Å; I99-M127 HydrophobicContact CD1-SD 3.91Å; I99-M127 HydrophobicContact CG1-SD 3.61Å; I99-M127 HydrophobicContact CG2-CE 3.83Å; I99-M127 HydrophobicContact CG2-SD 3.94Å; R124-M127 HydrophobicContact CB-CG 4.03Å; R124-M127 HydrophobicContact CB-SD 3.88Å; R124-M127 HydrophobicContact CG-CG 4.43Å; R124-M127 VanDerWaalsContact O-CB 3.25Å; R124-M127 WeakPolarHBondContact O-CB 3.33Å; R124-M127 WeakPolarHBondContact O-CG 3.21Å; M127-V129 PolarHBondContact O-N 3.45Å |
| 128 | N | 91.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | trans | -72 | 93.1 | 170 | -175 | -23.3 | 0 | 0 | 0 | 109.4 | T130 H131 Q132 | N128-T130 VanDerWaalsContact C-N 3.28Å; N128-T130 PolarHBondContact O-N 3.41Å; N128-T130 VanDerWaalsContact OD1-CB 3.24Å; N128-T130 WeakPolarHBondContact OD1-CB 3.25Å; N128-T130 PolarHBondContact OD1-N 3.44Å; N128-H131 HydrophobicContact CB-CB 4.07Å; N128-H131 WeakPolarHBondContact O-CB 3.08Å; N128-H131 PolarHBondContact O-N 2.89Å; N128-H131 PolarHBondContact OD1-N 2.81Å; N128-Q132 PolarHBondContact O-N 2.92Å; N128-Q132 VanDerWaalsContact O-N 3.15Å | ||
| 129 | V | 92.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -38.3 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | M127 H131 Q132 L133 N156 A158 | M127-V129 PolarHBondContact O-N 3.45Å; V129-H131 VanDerWaalsContact C-N 3.29Å; V129-H131 PolarHBondContact O-N 3.1Å; V129-Q132 WeakPolarHBondContact O-CB 3.4Å; V129-Q132 PolarHBondContact O-N 2.91Å; V129-Q132 VanDerWaalsContact O-N 3.09Å; V129-L133 HydrophobicContact CG1-CD1 4.02Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CG 3.5Å; V129-L133 PolarHBondContact O-N 3.49Å; V129-N156 VanDerWaalsContact CG1-O 3.32Å; V129-N156 WeakPolarHBondContact CG1-O 3.24Å; V129-N156 WeakPolarHBondContact CG2-O 3.29Å; V129-A158 HydrophobicContact CG1-CB 4.16Å |
| 130 | T | 93.8 | Very high | 94.3 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.6 | -44.7 | 175.8 | -41.8 | 0 | 0 | 0 | 0 | 111.4 | N128 L133 G134 W160 | N128-T130 VanDerWaalsContact C-N 3.28Å; N128-T130 PolarHBondContact O-N 3.41Å; N128-T130 VanDerWaalsContact OD1-CB 3.24Å; N128-T130 WeakPolarHBondContact OD1-CB 3.25Å; N128-T130 PolarHBondContact OD1-N 3.44Å; T130-L133 PolarHBondContact O-N 3.44Å; T130-G134 PolarHBondContact O-N 3.05Å; T130-W160 HydrophobicContact CG2-CB 4.31Å; T130-W160 HydrophobicContact CG2-CD2 3.87Å; T130-W160 HydrophobicContact CG2-CE3 3.29Å; T130-W160 HydrophobicContact CG2-CG 4.33Å; T130-W160 HydrophobicContact CG2-CZ3 3.78Å |
| 131 | H | 95.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 46.7 Ų | 46.7 | 49% | 0.486 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.1 | 179 | -100.8 | 0 | 0 | 0 | 112.2 | N128 V129 L133 G134 L135 | N128-H131 HydrophobicContact CB-CB 4.07Å; N128-H131 WeakPolarHBondContact O-CB 3.08Å; N128-H131 PolarHBondContact O-N 2.89Å; N128-H131 PolarHBondContact OD1-N 2.81Å; V129-H131 VanDerWaalsContact C-N 3.29Å; V129-H131 PolarHBondContact O-N 3.1Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.21Å; H131-G134 PolarHBondContact O-N 2.92Å; H131-L135 PolarHBondContact O-N 2.6Å |
| 132 | Q | 95.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.8 | -67.6 | -64.8 | -56 | 0 | 0 | 111.7 | L100 F123 N128 V129 G134 L135 L136 | L100-Q132 PolarHBondContact O-NE2 2.8Å; L100-Q132 VanDerWaalsContact O-NE2 3.11Å; F123-Q132 HydrophobicContact CD1-CB 4.26Å; F123-Q132 HydrophobicContact CG-CB 4.29Å; N128-Q132 PolarHBondContact O-N 2.92Å; N128-Q132 VanDerWaalsContact O-N 3.15Å; V129-Q132 WeakPolarHBondContact O-CB 3.4Å; V129-Q132 PolarHBondContact O-N 2.91Å; V129-Q132 VanDerWaalsContact O-N 3.09Å; Q132-G134 VanDerWaalsContact C-N 3.35Å; Q132-L135 PolarHBondContact O-N 3.41Å; Q132-L136 PolarHBondContact O-N 3.14Å |
| 133 | L | 96.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -32.2 | 176.6 | -68.1 | 174 | 0 | 0 | 0 | 112.8 | F123 V129 T130 H131 L136 Q137 A158 W160 L161 P162 | F123-L133 HydrophobicContact CE2-CD2 4.05Å; V129-L133 HydrophobicContact CG1-CD1 4.02Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CG 3.5Å; V129-L133 PolarHBondContact O-N 3.49Å; T130-L133 PolarHBondContact O-N 3.44Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.21Å; L133-L136 HydrophobicContact CD2-CD2 4.09Å; L133-L136 WeakPolarHBondContact O-CB 3.09Å; L133-L136 PolarHBondContact O-N 2.93Å; L133-Q137 PolarHBondContact O-N 3.46Å; L133-A158 HydrophobicContact CD1-CB 3.72Å; L133-W160 VanDerWaalsContact CD1-O 3.3Å; L133-W160 WeakPolarHBondContact CD1-O 3.23Å; L133-L161 HydrophobicContact CD1-CD2 3.97Å; L133-P162 HydrophobicContact CB-CG 4.1Å; L133-P162 WeakPolarHBondContact O-CG 2.98Å |
| 134 | G | 97.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T130 H131 Q132 L136 Q137 E138 | T130-G134 PolarHBondContact O-N 3.05Å; H131-G134 PolarHBondContact O-N 2.92Å; Q132-G134 VanDerWaalsContact C-N 3.35Å; G134-L136 VanDerWaalsContact C-N 3.28Å; G134-L136 PolarHBondContact O-N 3.36Å; G134-Q137 PolarHBondContact O-N 3Å; G134-E138 PolarHBondContact O-N 3.11Å; G134-E138 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 97.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 174.2 | -68.2 | 173.5 | 0 | 0 | 0 | 112.4 | L100 L105 H131 Q132 E138 M139 | L100-L135 HydrophobicContact CB-CB 4.01Å; L100-L135 HydrophobicContact CB-CD1 3.91Å; L100-L135 HydrophobicContact CD1-CB 4.35Å; L100-L135 WeakPolarHBondContact O-CD1 3.19Å; L105-L135 HydrophobicContact CD2-CB 4.44Å; L105-L135 HydrophobicContact CD2-CD2 4.22Å; L105-L135 WeakPolarHBondContact CD2-O 3.24Å; H131-L135 PolarHBondContact O-N 2.6Å; Q132-L135 PolarHBondContact O-N 3.41Å; L135-E138 PolarHBondContact O-N 3.34Å; L135-M139 WeakPolarHBondContact O-CB 3.25Å; L135-M139 PolarHBondContact O-N 3.41Å |
| 136 | L | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 173.9 | 179.5 | 64.7 | 0 | 0 | 0 | 111.2 | L100 L119 F123 Q132 L133 G134 E138 M139 L140 L153 L165 | L100-L136 HydrophobicContact CD1-CB 3.99Å; L119-L136 HydrophobicContact CD1-CD1 3.84Å; L119-L136 HydrophobicContact CD1-CD2 4.2Å; F123-L136 HydrophobicContact CZ-CD2 4.34Å; Q132-L136 PolarHBondContact O-N 3.14Å; L133-L136 HydrophobicContact CD2-CD2 4.09Å; L133-L136 WeakPolarHBondContact O-CB 3.09Å; L133-L136 PolarHBondContact O-N 2.93Å; G134-L136 VanDerWaalsContact C-N 3.28Å; G134-L136 PolarHBondContact O-N 3.36Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.98Å; L136-M139 WeakPolarHBondContact O-CB 3.48Å; L136-M139 PolarHBondContact O-N 2.7Å; L136-L140 HydrophobicContact CD1-CD1 4.24Å; L136-L140 HydrophobicContact CD1-CD2 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.11Å; L136-L140 HydrophobicContact CG-CD1 3.95Å; L136-L140 HydrophobicContact CG-CG 4.27Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.99Å; L136-L153 HydrophobicContact CD2-CD1 4.05Å; L136-L153 HydrophobicContact CD2-CD2 3.5Å; L136-L153 VanDerWaalsContact CD2-CD2 3.5Å; L136-L153 HydrophobicContact CD2-CG 4.43Å; L136-L165 HydrophobicContact CD2-CD1 4.34Å; L136-L165 HydrophobicContact CG-CD1 4.43Å |
| 137 | Q | 98.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 174.8 | -176.7 | -170.7 | -69.8 | 0 | 0 | 110.6 | L133 G134 M139 L140 E141 P162 R164 L165 | L133-Q137 PolarHBondContact O-N 3.46Å; G134-Q137 PolarHBondContact O-N 3Å; Q137-M139 VanDerWaalsContact C-N 3.3Å; Q137-M139 PolarHBondContact O-N 3.03Å; Q137-L140 PolarHBondContact O-N 3.48Å; Q137-E141 HydrophobicContact CG-CG 4.46Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.39Å; Q137-E141 PolarHBondContact NE2-OE1 3.45Å; Q137-E141 WeakPolarHBondContact O-CG 3.4Å; Q137-E141 PolarHBondContact O-N 3.06Å; Q137-P162 HydrophobicContact CB-CB 4.2Å; Q137-P162 HydrophobicContact CB-CG 4.27Å; Q137-P162 HydrophobicContact CG-CB 4.5Å; Q137-R164 VanDerWaalsContact OE1-C 3.32Å; Q137-L165 HydrophobicContact CB-CD1 4.21Å |
| 138 | E | 98.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.9 | -71.7 | -175.4 | -128.6 | 0 | 0 | 112.6 | L105 G134 L135 L136 R142 | L105-E138 HydrophobicContact CD2-CB 3.85Å; G134-E138 PolarHBondContact O-N 3.11Å; G134-E138 VanDerWaalsContact O-N 3.16Å; L135-E138 PolarHBondContact O-N 3.34Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.98Å; E138-R142 VanDerWaalsContact O-CG 3.28Å; E138-R142 WeakPolarHBondContact O-CG 3.35Å; E138-R142 PolarHBondContact O-N 3.44Å |
| 139 | M | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.5 | -174.4 | -175.3 | -54.2 | 0 | 0 | 111.7 | L100 T104 L105 L107 L108 L135 L136 Q137 R142 A143 | L100-M139 HydrophobicContact CD1-CE 4.05Å; L100-M139 HydrophobicContact CD2-CE 3.54Å; L100-M139 HydrophobicContact CG-CE 4.31Å; T104-M139 VanDerWaalsContact O-CE 3.25Å; T104-M139 WeakPolarHBondContact O-CE 3.45Å; L105-M139 HydrophobicContact CD2-CB 4.24Å; L107-M139 HydrophobicContact CB-CE 4.47Å; L107-M139 HydrophobicContact CB-SD 4.11Å; L107-M139 HydrophobicContact CD2-SD 4.47Å; L108-M139 HydrophobicContact CD1-CG 4.18Å; L108-M139 HydrophobicContact CD1-SD 3.74Å; L108-M139 HydrophobicContact CG-CG 4.28Å; L108-M139 HydrophobicContact CG-SD 3.74Å; L135-M139 WeakPolarHBondContact O-CB 3.25Å; L135-M139 PolarHBondContact O-N 3.41Å; L136-M139 WeakPolarHBondContact O-CB 3.48Å; L136-M139 PolarHBondContact O-N 2.7Å; Q137-M139 VanDerWaalsContact C-N 3.3Å; Q137-M139 PolarHBondContact O-N 3.03Å; M139-R142 PolarHBondContact O-N 3.39Å; M139-A143 VanDerWaalsContact O-CB 3.29Å; M139-A143 WeakPolarHBondContact O-CB 3.45Å; M139-A143 PolarHBondContact O-N 3.37Å |
| 140 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 177.6 | -66.6 | 170.7 | 0 | 0 | 0 | 111.1 | L108 L117 L136 Q137 R142 A143 Q144 L145 L151 L165 L169 | L108-L140 HydrophobicContact CD1-CD2 4.18Å; L117-L140 HydrophobicContact CD2-CD2 4.23Å; L136-L140 HydrophobicContact CD1-CD1 4.24Å; L136-L140 HydrophobicContact CD1-CD2 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.11Å; L136-L140 HydrophobicContact CG-CD1 3.95Å; L136-L140 HydrophobicContact CG-CG 4.27Å; L136-L140 VanDerWaalsContact O-CG 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.99Å; Q137-L140 PolarHBondContact O-N 3.48Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 3.48Å; L140-A143 PolarHBondContact O-N 2.99Å; L140-Q144 PolarHBondContact O-N 2.7Å; L140-L145 HydrophobicContact CD2-CD1 3.89Å; L140-L151 HydrophobicContact CD1-CD2 4.36Å; L140-L165 HydrophobicContact CD1-CD1 3.98Å; L140-L169 HydrophobicContact CD1-CD1 4.27Å; L140-L169 HydrophobicContact CD2-CD2 4.36Å |
| 141 | E | 97.2 | Very high | 97.5 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58 | -42 | 173.5 | -73.6 | 173.3 | -169.5 | 0 | 0 | 112.5 | Q137 S168 | Q137-E141 HydrophobicContact CG-CG 4.46Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.39Å; Q137-E141 PolarHBondContact NE2-OE1 3.45Å; Q137-E141 WeakPolarHBondContact O-CG 3.4Å; Q137-E141 PolarHBondContact O-N 3.06Å; E141-S168 PolarHBondContact N-OG 2.96Å |
| 142 | R | 97.6 | Very high | 97.7 | Very high | 125 Ų | 125 | 37.2 Ų | 37.2 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.7 | -30.5 | 178.8 | -71.7 | 168.4 | -175.1 | -84.3 | 2.1 | 113.7 | E138 M139 L140 | E138-R142 VanDerWaalsContact O-CG 3.28Å; E138-R142 WeakPolarHBondContact O-CG 3.35Å; E138-R142 PolarHBondContact O-N 3.44Å; M139-R142 PolarHBondContact O-N 3.39Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 3.48Å |
| 143 | A | 97.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -78.7 | -23 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L108 M139 L140 L145 | L108-A143 HydrophobicContact CB-CB 3.77Å; M139-A143 VanDerWaalsContact O-CB 3.29Å; M139-A143 WeakPolarHBondContact O-CB 3.45Å; M139-A143 PolarHBondContact O-N 3.37Å; L140-A143 PolarHBondContact O-N 2.99Å; A143-L145 HydrophobicContact CB-CD1 4.39Å; A143-L145 HydrophobicContact CB-CD2 3.86Å; A143-L145 HydrophobicContact CB-CG 3.8Å; A143-L145 PolarHBondContact O-N 2.82Å |
| 144 | Q | 92.9 | Very high | 97.9 | Very high | 131 Ų | 131 | 37.1 Ų | 37.1 | 61% | 0.612 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 56.5 | -179.9 | -56.2 | -172.6 | -80.8 | 0 | 0 | 111.8 | L140 D146 | L140-Q144 PolarHBondContact O-N 2.7Å; Q144-D146 PolarHBondContact O-N 3.19Å |
| 145 | L | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -77.2 | 68.7 | -175.7 | -57.6 | 179 | 0 | 0 | 0 | 111.1 | L108 L111 L114 L140 A143 H147 L148 L169 | L108-L145 HydrophobicContact CD1-CD1 4.27Å; L111-L145 WeakPolarHBondContact O-CD2 3.42Å; L114-L145 HydrophobicContact CB-CD2 4.32Å; L114-L145 HydrophobicContact CD2-CD1 4.2Å; L140-L145 HydrophobicContact CD2-CD1 3.89Å; A143-L145 HydrophobicContact CB-CD1 4.39Å; A143-L145 HydrophobicContact CB-CD2 3.86Å; A143-L145 HydrophobicContact CB-CG 3.8Å; A143-L145 PolarHBondContact O-N 2.82Å; L145-H147 PolarHBondContact O-N 3.06Å; L145-L148 HydrophobicContact CB-CB 3.93Å; L145-L148 HydrophobicContact CD1-CD1 4.44Å; L145-L148 HydrophobicContact CD1-CD2 4.22Å; L145-L148 WeakPolarHBondContact O-CB 3.5Å; L145-L148 PolarHBondContact O-N 2.85Å; L145-L169 HydrophobicContact CB-CD2 4.02Å | ||
| 146 | D | 97.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.2 | -171.6 | -66.4 | -31.7 | 0 | 0 | 0 | 114 | Q144 C171 | Q144-D146 PolarHBondContact O-N 3.19Å; D146-C171 WeakPolarHBondContact O-CB 3.42Å; D146-C171 PolarHBondContact O-SG 2.89Å |
| 147 | H | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 42.5 Ų | 42.5 | 49% | 0.486 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 1.7 | 179.3 | -59.4 | 93.1 | 0 | 0 | 0 | 113.5 | V112 L114 E115 L145 E149 | V112-H147 PolarHBondContact O-ND1 3.01Å; L114-H147 CarbonylContact O-C 3.31Å; E115-H147 WeakPolarHBondContact CA-O 3.47Å; L145-H147 PolarHBondContact O-N 3.06Å; H147-E149 WeakPolarHBondContact O-CG 3.44Å; H147-E149 PolarHBondContact O-N 3.05Å |
| 148 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -69.7 | 117.5 | -174.9 | -163.2 | 77.1 | 0 | 0 | 0 | 110.5 | L114 L117 L145 L151 L169 C171 L172 | L114-L148 HydrophobicContact CB-CD1 4.28Å; L114-L148 HydrophobicContact CD2-CD1 3.99Å; L114-L148 HydrophobicContact CG-CD1 3.92Å; L114-L148 VanDerWaalsContact O-CA 3.24Å; L114-L148 WeakPolarHBondContact O-CA 3.34Å; L114-L148 PolarHBondContact O-N 2.98Å; L114-L148 VanDerWaalsContact O-N 3.14Å; L117-L148 HydrophobicContact CB-CD1 3.89Å; L117-L148 HydrophobicContact CB-CD2 4.44Å; L145-L148 HydrophobicContact CB-CB 3.93Å; L145-L148 HydrophobicContact CD1-CD1 4.44Å; L145-L148 HydrophobicContact CD1-CD2 4.22Å; L145-L148 WeakPolarHBondContact O-CB 3.5Å; L145-L148 PolarHBondContact O-N 2.85Å; L148-L151 HydrophobicContact CD2-CB 4.39Å; L148-L169 HydrophobicContact CB-CD2 4.22Å; L148-L169 HydrophobicContact CD2-CD1 3.92Å; L148-L169 HydrophobicContact CD2-CD2 3.74Å; L148-L169 HydrophobicContact CD2-CG 4.41Å; L148-C171 CarbonylContact O-C 3.28Å; L148-L172 VanDerWaalsContact O-CA 3.3Å; L148-L172 WeakPolarHBondContact O-CA 3.47Å; L148-L172 PolarHBondContact O-N 2.81Å | ||
| 149 | E | 98.9 | Very high | 97.6 | Very high | 69 Ų | 69 | 42 Ų | 42 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | trans | -103 | -28.7 | 179.7 | -55.3 | -162 | 162.7 | 0 | 0 | 112.4 | E115 H147 K173 Q174 | E115-E149 WeakPolarHBondContact O-CA 3.5Å; E115-E149 PolarHBondContact O-N 3.07Å; H147-E149 WeakPolarHBondContact O-CG 3.44Å; H147-E149 PolarHBondContact O-N 3.05Å; E149-K173 HydrophobicContact CB-CB 4.42Å; E149-K173 HydrophobicContact CB-CD 4.32Å; E149-K173 HydrophobicContact CB-CG 4.39Å; E149-K173 HydrophobicContact CG-CD 4.4Å; E149-K173 CarbonylContact O-C 3.59Å; E149-K173 WeakPolarHBondContact O-CA 3.5Å; E149-K173 PolarHBondContact O-N 3.2Å; E149-K173 WeakPolarHBondContact OE1-CE 3.4Å; E149-K173 IonicContact OE1-NZ 2.69Å; E149-K173 PolarHBondContact OE1-NZ 3.33Å; E149-K173 WeakPolarHBondContact OE2-CD 3.36Å; E149-K173 IonicContact OE2-NZ 2.72Å; E149-K173 PolarHBondContact OE2-NZ 3.21Å; E149-Q174 PolarHBondContact O-N 3.01Å | ||
| 150 | V | 98.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.1 | -176.3 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | E115 S116 L117 Q174 | E115-V150 PolarHBondContact O-N 2.84Å; S116-V150 WeakPolarHBondContact CA-O 3.45Å; L117-V150 PolarHBondContact N-O 3.28Å; V150-Q174 HydrophobicContact CB-CB 4.48Å; V150-Q174 HydrophobicContact CG1-CB 4.26Å; V150-Q174 HydrophobicContact CG2-CB 4.13Å; V150-Q174 HydrophobicContact CG2-CG 4.24Å |
| 151 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.6 | 170.1 | 179.5 | 59.6 | 0 | 0 | 0 | 109.5 | L117 L140 L148 L153 L169 L172 Q174 L175 I176 | L117-L151 HydrophobicContact CB-CD1 4.37Å; L117-L151 HydrophobicContact CD2-CD1 4.12Å; L117-L151 HydrophobicContact CG-CD1 4.31Å; L140-L151 HydrophobicContact CD1-CD2 4.36Å; L148-L151 HydrophobicContact CD2-CB 4.39Å; L151-L153 HydrophobicContact CD1-CD1 4.42Å; L151-L153 HydrophobicContact CD1-CD2 4.34Å; L151-L153 HydrophobicContact CD1-CG 4.12Å; L151-L153 HydrophobicContact CD2-CD1 3.93Å; L151-L153 HydrophobicContact CD2-CG 4.44Å; L151-L153 HydrophobicContact CG-CD1 4.05Å; L151-L153 HydrophobicContact CG-CG 4.02Å; L151-L169 HydrophobicContact CD2-CD1 3.86Å; L151-L172 HydrophobicContact CB-CD1 3.79Å; L151-Q174 PolarHBondContact N-O 2.97Å; L151-L175 HydrophobicContact CB-CD1 4.29Å; L151-L175 HydrophobicContact CD2-CD1 4.11Å; L151-L175 HydrophobicContact CG-CD1 4.27Å; L151-I176 PolarHBondContact O-N 3.45Å |
| 152 | D | 98.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.4 | 174.1 | -170.7 | -6.4 | 0 | 0 | 0 | 111 | L117 R118 L119 R120 G154 I176 | L117-D152 PolarHBondContact O-N 3.05Å; R118-D152 HydrophobicContact CB-CB 4.41Å; R118-D152 HydrophobicContact CG-CB 4.21Å; L119-D152 CarbonylContact C-O 3.59Å; L119-D152 VanDerWaalsContact C-O 3.29Å; L119-D152 WeakPolarHBondContact CA-O 3.3Å; L119-D152 WeakPolarHBondContact CB-O 3.41Å; L119-D152 PolarHBondContact N-O 3.05Å; R120-D152 PolarHBondContact N-O 2.83Å; R120-D152 IonicContact NE-OD1 3.37Å; R120-D152 IonicContact NE-OD2 3.62Å; R120-D152 PolarHBondContact NE-OD2 3.42Å; R120-D152 IonicContact NH2-OD1 2.79Å; R120-D152 IonicContact NH2-OD2 2.8Å; D152-G154 PolarHBondContact OD1-N 3.44Å; D152-I176 HydrophobicContact CB-CB 4.18Å; D152-I176 HydrophobicContact CB-CD1 4.17Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.23Å |
| 153 | L | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -121.2 | 22.5 | 176.6 | -66.1 | 171.9 | 0 | 0 | 0 | 111.6 | L119 L136 L151 N156 L165 I176 L177 N180 | L119-L153 HydrophobicContact CB-CD2 3.79Å; L119-L153 HydrophobicContact CD1-CD2 4.04Å; L136-L153 HydrophobicContact CD2-CD1 4.05Å; L136-L153 HydrophobicContact CD2-CD2 3.5Å; L136-L153 VanDerWaalsContact CD2-CD2 3.5Å; L136-L153 HydrophobicContact CD2-CG 4.43Å; L151-L153 HydrophobicContact CD1-CD1 4.42Å; L151-L153 HydrophobicContact CD1-CD2 4.34Å; L151-L153 HydrophobicContact CD1-CG 4.12Å; L151-L153 HydrophobicContact CD2-CD1 3.93Å; L151-L153 HydrophobicContact CD2-CG 4.44Å; L151-L153 HydrophobicContact CG-CD1 4.05Å; L151-L153 HydrophobicContact CG-CG 4.02Å; L153-N156 VanDerWaalsContact C-ND2 3.29Å; L153-N156 PolarHBondContact O-ND2 2.72Å; L153-L165 HydrophobicContact CD1-CD2 3.76Å; L153-I176 CarbonylContact C-O 3.48Å; L153-I176 PolarHBondContact N-O 3.15Å; L153-L177 HydrophobicContact CB-CD2 4.09Å; L153-L177 HydrophobicContact CD1-CD2 4.42Å; L153-N180 PolarHBondContact O-ND2 2.94Å | ||
| 154 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 160.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R120 K121 D152 N156 I176 S178 | R120-G154 CarbonylContact C-O 3.41Å; R120-G154 WeakPolarHBondContact CA-O 3.49Å; R120-G154 WeakPolarHBondContact CG-O 3.35Å; K121-G154 PolarHBondContact N-O 2.66Å; D152-G154 PolarHBondContact OD1-N 3.44Å; G154-N156 PolarHBondContact O-N 2.98Å; G154-N156 VanDerWaalsContact O-N 3.1Å; G154-N156 PolarHBondContact O-ND2 3.27Å; G154-I176 PolarHBondContact N-O 3.44Å; G154-S178 CarbonylContact C-O 3.53Å; G154-S178 WeakPolarHBondContact CA-O 3.44Å |
| 155 | S | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.8 | 173.1 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | R120 K121 S178 D179 | R120-S155 PolarHBondContact NH1-OG 3.19Å; K121-S155 VanDerWaalsContact CA-O 3.24Å; K121-S155 WeakPolarHBondContact CA-O 3.22Å; S155-S178 PolarHBondContact N-O 2.88Å; S155-D179 WeakPolarHBondContact CA-O 3.47Å; S155-D179 WeakPolarHBondContact CB-OD2 3.43Å; S155-D179 PolarHBondContact N-O 3.33Å; S155-D179 VanDerWaalsContact N-O 3.14Å; S155-D179 WeakPolarHBondContact OG-CB 3.32Å; S155-D179 PolarHBondContact OG-OD2 3.32Å |
| 156 | N | 97.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -101.4 | 7.4 | 178.2 | -77.1 | -49.6 | 0 | 0 | 0 | 112.9 | L119 K121 A122 F123 V129 L153 G154 A158 N180 | L119-N156 PolarHBondContact O-ND2 2.79Å; L119-N156 PolarHBondContact O-OD1 2.79Å; K121-N156 WeakPolarHBondContact CA-OD1 3.44Å; K121-N156 PolarHBondContact N-OD1 2.84Å; A122-N156 PolarHBondContact N-OD1 2.9Å; F123-N156 HydrophobicContact CD2-CB 4.14Å; F123-N156 WeakPolarHBondContact CD2-OD1 3.4Å; V129-N156 VanDerWaalsContact CG1-O 3.32Å; V129-N156 WeakPolarHBondContact CG1-O 3.24Å; V129-N156 WeakPolarHBondContact CG2-O 3.29Å; L153-N156 VanDerWaalsContact C-ND2 3.29Å; L153-N156 PolarHBondContact O-ND2 2.72Å; G154-N156 PolarHBondContact O-N 2.98Å; G154-N156 VanDerWaalsContact O-N 3.1Å; G154-N156 PolarHBondContact O-ND2 3.27Å; N156-A158 PolarHBondContact O-N 3.34Å; N156-A158 VanDerWaalsContact O-N 3.15Å; N156-N180 WeakPolarHBondContact CA-OD1 3.48Å; N156-N180 PolarHBondContact N-OD1 2.95Å |
| 157 | Y | 95.6 | Very high | 97.7 | Very high | 125 Ų | 125 | 38.7 Ų | 38.7 | 49% | 0.49 | 18% | 0.182 | S | C | . | . | trans | 59 | 21.7 | -178.6 | -55.8 | -96.4 | 0 | 0 | 0 | 114 | I125 D159 N180 N181 | I125-Y157 HydrophobicContact CD1-CD2 3.2Å; I125-Y157 HydrophobicContact CD1-CE2 3.13Å; I125-Y157 HydrophobicContact CD1-CG 4.02Å; I125-Y157 HydrophobicContact CG1-CD2 4.48Å; Y157-D159 PolarHBondContact O-N 3.21Å; Y157-N180 PolarHBondContact N-OD1 3.1Å; Y157-N181 PolarHBondContact O-ND2 3.09Å; Y157-N181 VanDerWaalsContact O-ND2 3.1Å | ||
| 158 | A | 96.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | trans | -65.8 | 124.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V129 L133 N156 L161 N180 N181 L182 | V129-A158 HydrophobicContact CG1-CB 4.16Å; L133-A158 HydrophobicContact CD1-CB 3.72Å; N156-A158 PolarHBondContact O-N 3.34Å; N156-A158 VanDerWaalsContact O-N 3.15Å; A158-L161 HydrophobicContact CB-CD2 4.5Å; A158-N180 HydrophobicContact CB-CB 4.22Å; A158-N180 PolarHBondContact N-OD1 3.35Å; A158-N180 WeakPolarHBondContact O-CB 3.19Å; A158-N181 CarbonylContact O-C 3.57Å; A158-N181 VanDerWaalsContact O-C 3.25Å; A158-N181 VanDerWaalsContact O-CA 3.32Å; A158-N181 WeakPolarHBondContact O-CA 3.12Å; A158-N181 PolarHBondContact O-N 3.34Å; A158-L182 HydrophobicContact CB-CD2 4.37Å; A158-L182 WeakPolarHBondContact O-CD2 3.4Å; A158-L182 PolarHBondContact O-N 3.01Å | ||
| 159 | D | 95.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 46% | 0.46 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -99 | -13.8 | 171 | 58.8 | -1.3 | 0 | 0 | 0 | 112.6 | Y157 N181 | Y157-D159 PolarHBondContact O-N 3.21Å; D159-N181 HydrophobicContact CB-CB 4.17Å |
| 160 | W | 96.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 35 Ų | 35 | 38% | 0.375 | 17% | 0.173 | S | C | . | . | trans | -143.7 | 149.8 | 180 | 178.8 | 87.2 | 0 | 0 | 0 | 111 | T130 L133 P162 | T130-W160 HydrophobicContact CG2-CB 4.31Å; T130-W160 HydrophobicContact CG2-CD2 3.87Å; T130-W160 HydrophobicContact CG2-CE3 3.29Å; T130-W160 HydrophobicContact CG2-CG 4.33Å; T130-W160 HydrophobicContact CG2-CZ3 3.78Å; L133-W160 VanDerWaalsContact CD1-O 3.3Å; L133-W160 WeakPolarHBondContact CD1-O 3.23Å; W160-P162 HydrophobicContact CE3-CG 4.37Å; W160-P162 HydrophobicContact CH2-CB 3.87Å; W160-P162 HydrophobicContact CH2-CG 3.94Å; W160-P162 HydrophobicContact CZ3-CB 4.03Å; W160-P162 HydrophobicContact CZ3-CG 3.56Å | ||
| 161 | L | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | trans | -124.2 | 141.1 | 173.6 | -62.7 | 172.3 | 0 | 0 | 0 | 109.7 | L133 A158 P163 L165 L177 L182 L185 L187 | L133-L161 HydrophobicContact CD1-CD2 3.97Å; A158-L161 HydrophobicContact CB-CD2 4.5Å; L161-P163 WeakPolarHBondContact O-CD 3.09Å; L161-L165 HydrophobicContact CD2-CD2 4.23Å; L161-L177 HydrophobicContact CD1-CD1 3.55Å; L161-L177 HydrophobicContact CD1-CD2 3.82Å; L161-L177 HydrophobicContact CD1-CG 4.29Å; L161-L177 HydrophobicContact CD2-CD2 3.95Å; L161-L182 HydrophobicContact CD1-CD1 3.91Å; L161-L182 HydrophobicContact CD1-CD2 4.24Å; L161-L182 HydrophobicContact CD2-CD2 4.45Å; L161-L182 HydrophobicContact CG-CD1 4.39Å; L161-L182 HydrophobicContact CG-CD2 3.87Å; L161-L185 HydrophobicContact CD1-CD1 4.48Å; L161-L187 HydrophobicContact CB-CD2 4.15Å; L161-L187 HydrophobicContact CD1-CD1 4.48Å; L161-L187 HydrophobicContact CD1-CD2 4.33Å | ||
| 162 | P | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | trans | -58.4 | 127.9 | 168 | -19 | 28.4 | 0 | 0 | 0 | 111.3 | L133 Q137 W160 R164 L165 | L133-P162 HydrophobicContact CB-CG 4.1Å; L133-P162 WeakPolarHBondContact O-CG 2.98Å; Q137-P162 HydrophobicContact CB-CB 4.2Å; Q137-P162 HydrophobicContact CB-CG 4.27Å; Q137-P162 HydrophobicContact CG-CB 4.5Å; W160-P162 HydrophobicContact CE3-CG 4.37Å; W160-P162 HydrophobicContact CH2-CB 3.87Å; W160-P162 HydrophobicContact CH2-CG 3.94Å; W160-P162 HydrophobicContact CZ3-CB 4.03Å; W160-P162 HydrophobicContact CZ3-CG 3.56Å; P162-R164 PolarHBondContact O-N 3.2Å; P162-R164 VanDerWaalsContact O-N 3.07Å; P162-L165 HydrophobicContact CB-CB 4.24Å; P162-L165 HydrophobicContact CG-CD1 4.5Å; P162-L165 WeakPolarHBondContact O-CB 3.49Å; P162-L165 PolarHBondContact O-N 3.03Å | ||
| 163 | P | 97.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.7 | -176.3 | -28.4 | 35.2 | 0 | 0 | 0 | 114.9 | L161 D186 E188 | L161-P163 WeakPolarHBondContact O-CD 3.09Å; P163-D186 VanDerWaalsContact CA-O 3.23Å; P163-D186 WeakPolarHBondContact CA-O 3.45Å; P163-D186 WeakPolarHBondContact CB-O 3.43Å; P163-E188 WeakPolarHBondContact O-CB 3.34Å; P163-E188 PolarHBondContact O-N 3.4Å |
| 164 | R | 97.5 | Very high | 97.5 | Very high | 159 Ų | 159 | 42.3 Ų | 42.3 | 60% | 0.6 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 14 | 179.9 | -65.5 | -173.1 | 173.2 | -174.8 | -2 | 113.7 | Q137 P162 T166 C167 | Q137-R164 VanDerWaalsContact OE1-C 3.32Å; P162-R164 PolarHBondContact O-N 3.2Å; P162-R164 VanDerWaalsContact O-N 3.07Å; R164-T166 PolarHBondContact O-N 2.93Å; R164-C167 HydrophobicContact CB-CB 4.24Å; R164-C167 WeakPolarHBondContact O-CB 3.37Å; R164-C167 PolarHBondContact O-N 3Å |
| 165 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -35.5 | -177.7 | -179.9 | 64.2 | 0 | 0 | 0 | 113.5 | L136 Q137 L140 L153 L161 P162 L187 | L136-L165 HydrophobicContact CD2-CD1 4.34Å; L136-L165 HydrophobicContact CG-CD1 4.43Å; Q137-L165 HydrophobicContact CB-CD1 4.21Å; L140-L165 HydrophobicContact CD1-CD1 3.98Å; L153-L165 HydrophobicContact CD1-CD2 3.76Å; L161-L165 HydrophobicContact CD2-CD2 4.23Å; P162-L165 HydrophobicContact CB-CB 4.24Å; P162-L165 HydrophobicContact CG-CD1 4.5Å; P162-L165 WeakPolarHBondContact O-CB 3.49Å; P162-L165 PolarHBondContact O-N 3.03Å; L165-L187 HydrophobicContact CB-CD2 4.39Å |
| 166 | T | 97.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -0 | -176.5 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | R164 S168 L169 L172 L175 L192 | R164-T166 PolarHBondContact O-N 2.93Å; T166-S168 VanDerWaalsContact C-N 3.26Å; T166-S168 PolarHBondContact O-N 2.86Å; T166-L169 PolarHBondContact O-N 3.02Å; T166-L172 HydrophobicContact CG2-CD2 3.6Å; T166-L175 HydrophobicContact CG2-CD1 4.48Å; T166-L175 HydrophobicContact CG2-CD2 3.96Å; T166-L192 HydrophobicContact CG2-CD2 3.94Å; T166-L192 VanDerWaalsContact OG1-CD2 3.29Å; T166-L192 WeakPolarHBondContact OG1-CD2 3.49Å |
| 167 | C | 98 | Very high | 97.7 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 35% | 0.345 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.7 | -173.3 | -67.9 | 0 | 0 | 0 | 0 | 114.5 | R164 L169 C191 | R164-C167 HydrophobicContact CB-CB 4.24Å; R164-C167 WeakPolarHBondContact O-CB 3.37Å; R164-C167 PolarHBondContact O-N 3Å; C167-L169 VanDerWaalsContact C-N 3.33Å; C167-C191 WeakPolarHBondContact CA-SG 3.47Å; C167-C191 HydrophobicContact CB-CB 3.89Å; C167-C191 WeakPolarHBondContact CB-SG 3.09Å; C167-C191 WeakPolarHBondContact SG-CB 3.29Å; C167-C191 CovalentContact SG-SG 2.04Å; C167-C191 PolarHBondContact SG-SG 3.39Å |
| 168 | S | 97 | Very high | 97.8 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.7 | 172.7 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | E141 T166 P170 | E141-S168 PolarHBondContact N-OG 2.96Å; T166-S168 VanDerWaalsContact C-N 3.26Å; T166-S168 PolarHBondContact O-N 2.86Å; S168-P170 VanDerWaalsContact O-CD 3.31Å; S168-P170 WeakPolarHBondContact O-CD 3.41Å |
| 169 | L | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -120.4 | 71.4 | -174.8 | -54.2 | 177.6 | 0 | 0 | 0 | 110.8 | L140 L145 L148 L151 T166 C167 C171 L172 | L140-L169 HydrophobicContact CD1-CD1 4.27Å; L140-L169 HydrophobicContact CD2-CD2 4.36Å; L145-L169 HydrophobicContact CB-CD2 4.02Å; L148-L169 HydrophobicContact CB-CD2 4.22Å; L148-L169 HydrophobicContact CD2-CD1 3.92Å; L148-L169 HydrophobicContact CD2-CD2 3.74Å; L148-L169 HydrophobicContact CD2-CG 4.41Å; L151-L169 HydrophobicContact CD2-CD1 3.86Å; T166-L169 PolarHBondContact O-N 3.02Å; C167-L169 VanDerWaalsContact C-N 3.33Å; L169-C171 PolarHBondContact O-N 3.21Å; L169-C171 VanDerWaalsContact O-N 3.15Å; L169-L172 HydrophobicContact CB-CB 4Å; L169-L172 HydrophobicContact CD1-CD1 4.36Å; L169-L172 HydrophobicContact CD1-CD2 4.24Å; L169-L172 WeakPolarHBondContact O-CB 3.16Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-L172 VanDerWaalsContact O-N 3.16Å | ||
| 170 | P | 97.2 | Very high | 98 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 47% | 0.474 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.5 | -168.8 | 26.2 | -35.9 | 0 | 0 | 0 | 114.4 | S168 Q194 | S168-P170 VanDerWaalsContact O-CD 3.31Å; S168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-Q194 WeakPolarHBondContact O-CG 3.31Å |
| 171 | C | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 35 Ų | 35 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 12.3 | -179.5 | -70.6 | 0 | 0 | 0 | 0 | 114 | D146 L148 L169 K173 | D146-C171 WeakPolarHBondContact O-CB 3.42Å; D146-C171 PolarHBondContact O-SG 2.89Å; L148-C171 CarbonylContact O-C 3.28Å; L169-C171 PolarHBondContact O-N 3.21Å; L169-C171 VanDerWaalsContact O-N 3.15Å; C171-K173 PolarHBondContact O-N 3.44Å |
| 172 | L | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -64.3 | 119.8 | -175.9 | -169.2 | 70.4 | 0 | 0 | 0 | 111.7 | L148 L151 T166 L169 L175 Q194 L195 | L148-L172 VanDerWaalsContact O-CA 3.3Å; L148-L172 WeakPolarHBondContact O-CA 3.47Å; L148-L172 PolarHBondContact O-N 2.81Å; L151-L172 HydrophobicContact CB-CD1 3.79Å; T166-L172 HydrophobicContact CG2-CD2 3.6Å; L169-L172 HydrophobicContact CB-CB 4Å; L169-L172 HydrophobicContact CD1-CD1 4.36Å; L169-L172 HydrophobicContact CD1-CD2 4.24Å; L169-L172 WeakPolarHBondContact O-CB 3.16Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-L172 VanDerWaalsContact O-N 3.16Å; L172-L175 HydrophobicContact CD2-CB 4.32Å; L172-Q194 CarbonylContact O-C 3.55Å; L172-Q194 VanDerWaalsContact O-C 3.28Å; L172-L195 HydrophobicContact CD2-CD1 4.34Å; L172-L195 HydrophobicContact CG-CD1 4.22Å; L172-L195 PolarHBondContact O-N 3.27Å | ||
| 173 | K | 98.8 | Very high | 98.1 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | trans | -106.2 | -33.3 | -179.7 | -67.2 | -179.3 | -168.2 | 160.4 | 0 | 113 | E149 C171 T196 Q197 | E149-K173 HydrophobicContact CB-CB 4.42Å; E149-K173 HydrophobicContact CB-CD 4.32Å; E149-K173 HydrophobicContact CB-CG 4.39Å; E149-K173 HydrophobicContact CG-CD 4.4Å; E149-K173 CarbonylContact O-C 3.59Å; E149-K173 WeakPolarHBondContact O-CA 3.5Å; E149-K173 PolarHBondContact O-N 3.2Å; E149-K173 WeakPolarHBondContact OE1-CE 3.4Å; E149-K173 IonicContact OE1-NZ 2.69Å; E149-K173 PolarHBondContact OE1-NZ 3.33Å; E149-K173 WeakPolarHBondContact OE2-CD 3.36Å; E149-K173 IonicContact OE2-NZ 2.72Å; E149-K173 PolarHBondContact OE2-NZ 3.21Å; C171-K173 PolarHBondContact O-N 3.44Å; K173-T196 PolarHBondContact O-N 3.31Å; K173-T196 PolarHBondContact O-OG1 2.91Å; K173-Q197 PolarHBondContact O-N 3.39Å | ||
| 174 | Q | 98.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.4 | -177 | -53.7 | -175.9 | 14.2 | 0 | 0 | 110.2 | E149 V150 L151 Q197 | E149-Q174 PolarHBondContact O-N 3.01Å; V150-Q174 HydrophobicContact CB-CB 4.48Å; V150-Q174 HydrophobicContact CG1-CB 4.26Å; V150-Q174 HydrophobicContact CG2-CB 4.13Å; V150-Q174 HydrophobicContact CG2-CG 4.24Å; L151-Q174 PolarHBondContact N-O 2.97Å; Q174-Q197 WeakPolarHBondContact CA-O 3.38Å; Q174-Q197 HydrophobicContact CB-CB 4.36Å; Q174-Q197 HydrophobicContact CG-CB 4.05Å |
| 175 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 111.8 | 173.5 | 179.8 | 60 | 0 | 0 | 0 | 108.9 | L151 T166 L172 L177 L187 L192 L195 Q197 L198 D199 | L151-L175 HydrophobicContact CB-CD1 4.29Å; L151-L175 HydrophobicContact CD2-CD1 4.11Å; L151-L175 HydrophobicContact CG-CD1 4.27Å; T166-L175 HydrophobicContact CG2-CD1 4.48Å; T166-L175 HydrophobicContact CG2-CD2 3.96Å; L172-L175 HydrophobicContact CD2-CB 4.32Å; L175-L177 HydrophobicContact CD1-CD2 4.27Å; L175-L177 HydrophobicContact CD1-CG 4.22Å; L175-L177 HydrophobicContact CD2-CD1 3.85Å; L175-L177 HydrophobicContact CD2-CG 4.42Å; L175-L177 HydrophobicContact CG-CD1 3.91Å; L175-L177 HydrophobicContact CG-CG 3.95Å; L175-L187 HydrophobicContact CD2-CD1 3.68Å; L175-L192 HydrophobicContact CD2-CD2 4.46Å; L175-L195 HydrophobicContact CB-CD1 3.89Å; L175-Q197 PolarHBondContact N-O 2.77Å; L175-L198 HydrophobicContact CB-CD1 4.08Å; L175-L198 HydrophobicContact CD2-CD1 3.95Å; L175-L198 HydrophobicContact CG-CD1 4.07Å; L175-L198 WeakPolarHBondContact O-CA 3.45Å; L175-D199 PolarHBondContact O-N 3.21Å |
| 176 | I | 98.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.138 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112 | -177.3 | -53.6 | 171 | 0 | 0 | 0 | 108.3 | L151 D152 L153 G154 D199 | L151-I176 PolarHBondContact O-N 3.45Å; D152-I176 HydrophobicContact CB-CB 4.18Å; D152-I176 HydrophobicContact CB-CD1 4.17Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.23Å; L153-I176 CarbonylContact C-O 3.48Å; L153-I176 PolarHBondContact N-O 3.15Å; G154-I176 PolarHBondContact N-O 3.44Å; I176-D199 HydrophobicContact CG2-CB 4.27Å |
| 177 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -121 | 15.5 | -179.5 | -63.6 | 165.8 | 0 | 0 | 0 | 111.1 | L153 L161 L175 N180 L182 L187 L198 D199 L200 N203 | L153-L177 HydrophobicContact CB-CD2 4.09Å; L153-L177 HydrophobicContact CD1-CD2 4.42Å; L161-L177 HydrophobicContact CD1-CD1 3.55Å; L161-L177 HydrophobicContact CD1-CD2 3.82Å; L161-L177 HydrophobicContact CD1-CG 4.29Å; L161-L177 HydrophobicContact CD2-CD2 3.95Å; L175-L177 HydrophobicContact CD1-CD2 4.27Å; L175-L177 HydrophobicContact CD1-CG 4.22Å; L175-L177 HydrophobicContact CD2-CD1 3.85Å; L175-L177 HydrophobicContact CD2-CG 4.42Å; L175-L177 HydrophobicContact CG-CD1 3.91Å; L175-L177 HydrophobicContact CG-CG 3.95Å; L177-N180 PolarHBondContact O-ND2 2.88Å; L177-L182 HydrophobicContact CB-CD1 4.1Å; L177-L182 HydrophobicContact CD1-CD1 4.46Å; L177-L187 HydrophobicContact CD1-CD1 4.46Å; L177-L198 HydrophobicContact CD1-CD1 4.09Å; L177-D199 CarbonylContact C-O 3.02Å; L177-D199 VanDerWaalsContact C-O 3.31Å; L177-D199 WeakPolarHBondContact CA-O 3.32Å; L177-D199 PolarHBondContact N-O 3.22Å; L177-L200 HydrophobicContact CB-CD2 4.2Å; L177-L200 HydrophobicContact CD1-CD2 3.95Å; L177-N203 PolarHBondContact O-ND2 3.48Å | ||
| 178 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -60.3 | 152.7 | -176.5 | 72.2 | 0 | 0 | 0 | 0 | 112 | R120 G154 S155 D199 S201 R202 | R120-S178 PolarHBondContact NH2-OG 2.97Å; G154-S178 CarbonylContact C-O 3.53Å; G154-S178 WeakPolarHBondContact CA-O 3.44Å; S155-S178 PolarHBondContact N-O 2.88Å; S178-D199 WeakPolarHBondContact CB-OD2 3.35Å; S178-D199 PolarHBondContact N-O 3.15Å; S178-D199 VanDerWaalsContact N-O 3.15Å; S178-S201 CarbonylContact C-O 3.52Å; S178-S201 WeakPolarHBondContact CA-O 3.24Å; S178-S201 WeakPolarHBondContact CB-OG 3.2Å; S178-R202 PolarHBondContact OG-NH2 3.06Å | ||
| 179 | D | 98.5 | Very high | 97.8 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 63.1 | 43 | 172 | -161.4 | 50.4 | 0 | 0 | 0 | 112.7 | S155 S201 R202 | S155-D179 WeakPolarHBondContact CA-O 3.47Å; S155-D179 WeakPolarHBondContact CB-OD2 3.43Å; S155-D179 PolarHBondContact N-O 3.33Å; S155-D179 VanDerWaalsContact N-O 3.14Å; S155-D179 WeakPolarHBondContact OG-CB 3.32Å; S155-D179 PolarHBondContact OG-OD2 3.32Å; D179-S201 PolarHBondContact N-O 2.86Å; D179-R202 CarbonylContact C-O 3.28Å; D179-R202 WeakPolarHBondContact CA-O 3.33Å; D179-R202 HydrophobicContact CB-CB 4.29Å; D179-R202 PolarHBondContact N-O 3.4Å |
| 180 | N | 98.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -118.6 | -172.2 | 174.2 | -79.8 | -63.4 | 0 | 0 | 0 | 109.5 | L153 N156 Y157 A158 L177 L182 R202 N203 | L153-N180 PolarHBondContact O-ND2 2.94Å; N156-N180 WeakPolarHBondContact CA-OD1 3.48Å; N156-N180 PolarHBondContact N-OD1 2.95Å; Y157-N180 PolarHBondContact N-OD1 3.1Å; A158-N180 HydrophobicContact CB-CB 4.22Å; A158-N180 PolarHBondContact N-OD1 3.35Å; A158-N180 WeakPolarHBondContact O-CB 3.19Å; L177-N180 PolarHBondContact O-ND2 2.88Å; N180-L182 HydrophobicContact CB-CD1 4.49Å; N180-L182 HydrophobicContact CB-CG 4.12Å; N180-R202 PolarHBondContact N-O 3.16Å; N180-N203 WeakPolarHBondContact CA-OD1 3.49Å; N180-N203 WeakPolarHBondContact CB-OD1 3.34Å; N180-N203 PolarHBondContact N-OD1 3.33Å; N180-N203 WeakPolarHBondContact O-CA 3.43Å; N180-N203 PolarHBondContact O-OD1 3.19Å |
| 181 | N | 97.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | trans | -106.3 | 24.2 | 179 | -66 | -42.6 | 0 | 0 | 0 | 112.2 | Y157 A158 D159 Q183 | Y157-N181 PolarHBondContact O-ND2 3.09Å; Y157-N181 VanDerWaalsContact O-ND2 3.1Å; A158-N181 CarbonylContact O-C 3.57Å; A158-N181 VanDerWaalsContact O-C 3.25Å; A158-N181 VanDerWaalsContact O-CA 3.32Å; A158-N181 WeakPolarHBondContact O-CA 3.12Å; A158-N181 PolarHBondContact O-N 3.34Å; D159-N181 HydrophobicContact CB-CB 4.17Å; N181-Q183 PolarHBondContact O-N 3.19Å | ||
| 182 | L | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -67 | 127.3 | -173.8 | -58.3 | 172.5 | 0 | 0 | 0 | 110.3 | A158 L161 L177 N180 N203 A204 F205 | A158-L182 HydrophobicContact CB-CD2 4.37Å; A158-L182 WeakPolarHBondContact O-CD2 3.4Å; A158-L182 PolarHBondContact O-N 3.01Å; L161-L182 HydrophobicContact CD1-CD1 3.91Å; L161-L182 HydrophobicContact CD1-CD2 4.24Å; L161-L182 HydrophobicContact CD2-CD2 4.45Å; L161-L182 HydrophobicContact CG-CD1 4.39Å; L161-L182 HydrophobicContact CG-CD2 3.87Å; L177-L182 HydrophobicContact CB-CD1 4.1Å; L177-L182 HydrophobicContact CD1-CD1 4.46Å; N180-L182 HydrophobicContact CB-CD1 4.49Å; N180-L182 HydrophobicContact CB-CG 4.12Å; L182-N203 HydrophobicContact CB-CB 4.31Å; L182-N203 VanDerWaalsContact CB-OD1 3.25Å; L182-N203 WeakPolarHBondContact CB-OD1 3.34Å; L182-N203 WeakPolarHBondContact CG-OD1 3.49Å; L182-N203 PolarHBondContact N-OD1 2.89Å; L182-A204 CarbonylContact O-C 3.48Å; L182-A204 VanDerWaalsContact O-C 3.26Å; L182-A204 WeakPolarHBondContact O-CA 3.23Å; L182-A204 PolarHBondContact O-N 3.34Å; L182-F205 HydrophobicContact CB-CE2 3.94Å; L182-F205 HydrophobicContact CB-CZ 3.9Å; L182-F205 PolarHBondContact O-N 2.82Å | ||
| 183 | Q | 97.6 | Very high | 97.7 | Very high | 127 Ų | 127 | 44.4 Ų | 44.4 | 59% | 0.593 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -106.1 | -20.4 | 173.6 | -64.4 | 176 | 49.9 | 0 | 0 | 112 | N181 A204 F205 | N181-Q183 PolarHBondContact O-N 3.19Å; Q183-A204 HydrophobicContact CG-CB 3.72Å; Q183-F205 VanDerWaalsContact O-CD1 3.31Å; Q183-F205 WeakPolarHBondContact O-CD1 3.37Å |
| 184 | V | 96.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | trans | -135.3 | 153.9 | 180 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | F205 | V184-F205 VanDerWaalsContact C-CE1 3.5Š| ||
| 185 | L | 97.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | trans | -119.5 | 105.1 | 172.9 | -178.2 | 68.2 | 0 | 0 | 0 | 108 | L161 L187 L198 L200 F205 F212 L215 L216 | L161-L185 HydrophobicContact CD1-CD1 4.48Å; L185-L187 HydrophobicContact CD1-CD1 3.86Å; L185-L187 HydrophobicContact CD1-CG 4.03Å; L185-L198 HydrophobicContact CD2-CD2 4.05Å; L185-L200 HydrophobicContact CD1-CD2 4.01Å; L185-L200 HydrophobicContact CD2-CD1 3.9Å; L185-F205 HydrophobicContact CB-CE1 4.24Å; L185-F205 HydrophobicContact CB-CZ 4.16Å; L185-F212 HydrophobicContact CB-CD2 3.65Å; L185-F212 HydrophobicContact CB-CE2 3.67Å; L185-F212 HydrophobicContact CD2-CD2 4.37Å; L185-F212 HydrophobicContact CD2-CE2 3.9Å; L185-F212 HydrophobicContact CG-CE2 4.46Å; L185-L215 HydrophobicContact CD2-CD1 4.16Å; L185-L215 HydrophobicContact CD2-CD2 3.76Å; L185-L215 HydrophobicContact CG-CD1 3.97Å; L185-L215 HydrophobicContact CG-CD2 4.45Å; L185-L215 WeakPolarHBondContact O-CD1 3.39Å; L185-L216 HydrophobicContact CD2-CD2 4.18Å | ||
| 186 | D | 94.7 | Very high | 97.6 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | trans | -121.2 | 69.4 | -177.9 | -168.5 | 28.5 | 0 | 0 | 0 | 109.5 | P163 | P163-D186 VanDerWaalsContact CA-O 3.23Å; P163-D186 WeakPolarHBondContact CA-O 3.45Å; P163-D186 WeakPolarHBondContact CB-O 3.43Å | ||
| 187 | L | 97.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | trans | -108.9 | 148.8 | 174.1 | -67.1 | 177.1 | 0 | 0 | 0 | 109.8 | L161 L165 L175 L177 L185 P189 L192 L215 | L161-L187 HydrophobicContact CB-CD2 4.15Å; L161-L187 HydrophobicContact CD1-CD1 4.48Å; L161-L187 HydrophobicContact CD1-CD2 4.33Å; L165-L187 HydrophobicContact CB-CD2 4.39Å; L175-L187 HydrophobicContact CD2-CD1 3.68Å; L177-L187 HydrophobicContact CD1-CD1 4.46Å; L185-L187 HydrophobicContact CD1-CD1 3.86Å; L185-L187 HydrophobicContact CD1-CG 4.03Å; L187-P189 WeakPolarHBondContact O-CD 3.44Å; L187-L192 HydrophobicContact CB-CD1 4.12Å; L187-L192 HydrophobicContact CD1-CD1 4.28Å; L187-L215 HydrophobicContact CB-CD1 4.39Å; L187-L215 VanDerWaalsContact O-CD1 3.25Å; L187-L215 WeakPolarHBondContact O-CD1 3.32Å | ||
| 188 | E | 97.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | trans | -71.1 | 106.9 | 175.8 | -176.7 | 60.4 | -115.6 | 0 | 0 | 110.7 | P163 A190 C191 | P163-E188 WeakPolarHBondContact O-CB 3.34Å; P163-E188 PolarHBondContact O-N 3.4Å; E188-A190 HydrophobicContact CG-CB 4.18Å; E188-A190 PolarHBondContact O-N 3.11Å; E188-C191 HydrophobicContact CB-CB 4.42Å; E188-C191 WeakPolarHBondContact O-CB 3.41Å; E188-C191 PolarHBondContact O-N 3.46Å | ||
| 189 | P | 96.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -63.6 | -28.7 | -175.4 | 25.7 | -34.6 | 0 | 0 | 0 | 112.7 | L187 C191 L192 Q193 Q218 | L187-P189 WeakPolarHBondContact O-CD 3.44Å; P189-C191 PolarHBondContact O-N 3.15Å; P189-C191 VanDerWaalsContact O-N 3.08Å; P189-L192 PolarHBondContact O-N 3.25Å; P189-Q193 PolarHBondContact O-NE2 3.28Å; P189-Q218 HydrophobicContact CB-CB 3.81Å; P189-Q218 HydrophobicContact CG-CB 4.35Å |
| 190 | A | 97.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -58.9 | -21.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | E188 Q193 | E188-A190 HydrophobicContact CG-CB 4.18Å; E188-A190 PolarHBondContact O-N 3.11Å; A190-Q193 WeakPolarHBondContact O-CG 3.37Å |
| 191 | C | 97.2 | Very high | 97.7 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -93.2 | 2.4 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | C167 E188 P189 | C167-C191 WeakPolarHBondContact CA-SG 3.47Å; C167-C191 HydrophobicContact CB-CB 3.89Å; C167-C191 WeakPolarHBondContact CB-SG 3.09Å; C167-C191 WeakPolarHBondContact SG-CB 3.29Å; C167-C191 CovalentContact SG-SG 2.04Å; C167-C191 PolarHBondContact SG-SG 3.39Å; E188-C191 HydrophobicContact CB-CB 4.42Å; E188-C191 WeakPolarHBondContact O-CB 3.41Å; E188-C191 PolarHBondContact O-N 3.46Å; P189-C191 PolarHBondContact O-N 3.15Å; P189-C191 VanDerWaalsContact O-N 3.08Å |
| 192 | L | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -117.9 | 24.7 | -173.9 | -62.5 | 172.5 | 0 | 0 | 0 | 112.8 | T166 L175 L187 P189 Q194 L195 L219 P220 | T166-L192 HydrophobicContact CG2-CD2 3.94Å; T166-L192 VanDerWaalsContact OG1-CD2 3.29Å; T166-L192 WeakPolarHBondContact OG1-CD2 3.49Å; L175-L192 HydrophobicContact CD2-CD2 4.46Å; L187-L192 HydrophobicContact CB-CD1 4.12Å; L187-L192 HydrophobicContact CD1-CD1 4.28Å; P189-L192 PolarHBondContact O-N 3.25Å; L192-Q194 VanDerWaalsContact C-N 3.28Å; L192-Q194 PolarHBondContact O-N 3.46Å; L192-L195 HydrophobicContact CB-CB 4.27Å; L192-L195 HydrophobicContact CB-CD2 4.45Å; L192-L195 HydrophobicContact CD2-CD1 4.43Å; L192-L195 HydrophobicContact CD2-CD2 4.22Å; L192-L195 WeakPolarHBondContact O-CB 3.4Å; L192-L195 PolarHBondContact O-N 3.19Å; L192-L195 VanDerWaalsContact O-N 3.11Å; L192-L219 HydrophobicContact CB-CD2 3.64Å; L192-L219 HydrophobicContact CD1-CD2 3.76Å; L192-L219 HydrophobicContact CG-CD2 4.36Å; L192-P220 WeakPolarHBondContact O-CD 3.24Å | ||
| 193 | Q | 97.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.9 | -170.3 | -60.2 | -60.4 | -57.5 | 0 | 0 | 114.6 | P189 A190 Q218 P220 | P189-Q193 PolarHBondContact O-NE2 3.28Å; A190-Q193 WeakPolarHBondContact O-CG 3.37Å; Q193-Q218 PolarHBondContact NE2-O 3.41Å; Q193-P220 WeakPolarHBondContact O-CG 3.22Å |
| 194 | Q | 98 | Very high | 97.8 | Very high | 112 Ų | 112 | 42 Ų | 42 | 52% | 0.523 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.4 | 171.7 | -62.5 | -57 | -51.6 | 0 | 0 | 112.7 | P170 L172 L192 T196 | P170-Q194 WeakPolarHBondContact O-CG 3.31Å; L172-Q194 CarbonylContact O-C 3.55Å; L172-Q194 VanDerWaalsContact O-C 3.28Å; L192-Q194 VanDerWaalsContact C-N 3.28Å; L192-Q194 PolarHBondContact O-N 3.46Å; Q194-T196 PolarHBondContact O-N 2.87Å |
| 195 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -69.9 | 129.6 | -172.1 | -156.5 | 76.1 | 0 | 0 | 0 | 110.9 | L172 L175 L192 L198 C223 | L172-L195 HydrophobicContact CD2-CD1 4.34Å; L172-L195 HydrophobicContact CG-CD1 4.22Å; L172-L195 PolarHBondContact O-N 3.27Å; L175-L195 HydrophobicContact CB-CD1 3.89Å; L192-L195 HydrophobicContact CB-CB 4.27Å; L192-L195 HydrophobicContact CB-CD2 4.45Å; L192-L195 HydrophobicContact CD2-CD1 4.43Å; L192-L195 HydrophobicContact CD2-CD2 4.22Å; L192-L195 WeakPolarHBondContact O-CB 3.4Å; L192-L195 PolarHBondContact O-N 3.19Å; L192-L195 VanDerWaalsContact O-N 3.11Å; L195-L198 HydrophobicContact CD2-CB 3.87Å; L195-L198 HydrophobicContact CD2-CD1 4.43Å; L195-C223 WeakPolarHBondContact O-CB 3.19Å | ||
| 196 | T | 98.5 | Very high | 97.9 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | trans | -112.5 | -21.8 | 177.3 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | K173 Q194 C223 A224 | K173-T196 PolarHBondContact O-N 3.31Å; K173-T196 PolarHBondContact O-OG1 2.91Å; Q194-T196 PolarHBondContact O-N 2.87Å; T196-C223 WeakPolarHBondContact O-CA 3.39Å; T196-A224 PolarHBondContact O-N 3.15Å | ||
| 197 | Q | 98.7 | Very high | 98 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 130.3 | 179.7 | -170.7 | 174.9 | -1.6 | 0 | 0 | 111 | K173 Q174 L175 A224 | K173-Q197 PolarHBondContact O-N 3.39Å; Q174-Q197 WeakPolarHBondContact CA-O 3.38Å; Q174-Q197 HydrophobicContact CB-CB 4.36Å; Q174-Q197 HydrophobicContact CG-CB 4.05Å; L175-Q197 PolarHBondContact N-O 2.77Å; Q197-A224 WeakPolarHBondContact CA-O 3.38Å |
| 198 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 110.9 | 172.2 | 178.5 | 58.1 | 0 | 0 | 0 | 108.9 | L175 L177 L185 L195 L200 L216 L219 A224 V225 S226 | L175-L198 HydrophobicContact CB-CD1 4.08Å; L175-L198 HydrophobicContact CD2-CD1 3.95Å; L175-L198 HydrophobicContact CG-CD1 4.07Å; L175-L198 WeakPolarHBondContact O-CA 3.45Å; L177-L198 HydrophobicContact CD1-CD1 4.09Å; L185-L198 HydrophobicContact CD2-CD2 4.05Å; L195-L198 HydrophobicContact CD2-CB 3.87Å; L195-L198 HydrophobicContact CD2-CD1 4.43Å; L198-L200 HydrophobicContact CD1-CD2 4.24Å; L198-L200 HydrophobicContact CD1-CG 4.36Å; L198-L200 HydrophobicContact CD2-CD1 4.03Å; L198-L200 HydrophobicContact CD2-CG 4.38Å; L198-L200 HydrophobicContact CG-CD1 4.17Å; L198-L200 HydrophobicContact CG-CD2 4.4Å; L198-L200 HydrophobicContact CG-CG 4.01Å; L198-L216 HydrophobicContact CD2-CD2 4.1Å; L198-L219 HydrophobicContact CD2-CD1 3.98Å; L198-A224 PolarHBondContact N-O 3.05Å; L198-V225 HydrophobicContact CB-CG1 4.45Å; L198-V225 HydrophobicContact CB-CG2 4.26Å; L198-V225 HydrophobicContact CD2-CG1 4.36Å; L198-V225 HydrophobicContact CD2-CG2 4.48Å; L198-V225 HydrophobicContact CG-CG1 4.42Å; L198-V225 CarbonylContact O-C 3.55Å; L198-V225 VanDerWaalsContact O-CA 3.29Å; L198-V225 WeakPolarHBondContact O-CA 3.22Å; L198-S226 PolarHBondContact O-N 3.04Å |
| 199 | D | 98.9 | Very high | 97.9 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.8 | 179 | -171.4 | 5.2 | 0 | 0 | 0 | 111.2 | L175 I176 L177 S178 S201 S226 | L175-D199 PolarHBondContact O-N 3.21Å; I176-D199 HydrophobicContact CG2-CB 4.27Å; L177-D199 CarbonylContact C-O 3.02Å; L177-D199 VanDerWaalsContact C-O 3.31Å; L177-D199 WeakPolarHBondContact CA-O 3.32Å; L177-D199 PolarHBondContact N-O 3.22Å; S178-D199 WeakPolarHBondContact CB-OD2 3.35Å; S178-D199 PolarHBondContact N-O 3.15Å; S178-D199 VanDerWaalsContact N-O 3.15Å; D199-S201 WeakPolarHBondContact OD1-CB 3.25Å; D199-S201 PolarHBondContact OD1-N 3.38Å; D199-S201 PolarHBondContact OD1-OG 3.41Å; D199-S201 PolarHBondContact OD2-OG 3.06Å; D199-S226 WeakPolarHBondContact OD1-CB 3.34Å; D199-S226 PolarHBondContact OD1-OG 2.85Å |
| 200 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -109.2 | 15.4 | 175.8 | -57.7 | 164.6 | 0 | 0 | 0 | 111.4 | L177 L185 L198 N203 F205 F212 V225 S226 M227 N230 | L177-L200 HydrophobicContact CB-CD2 4.2Å; L177-L200 HydrophobicContact CD1-CD2 3.95Å; L185-L200 HydrophobicContact CD1-CD2 4.01Å; L185-L200 HydrophobicContact CD2-CD1 3.9Å; L198-L200 HydrophobicContact CD1-CD2 4.24Å; L198-L200 HydrophobicContact CD1-CG 4.36Å; L198-L200 HydrophobicContact CD2-CD1 4.03Å; L198-L200 HydrophobicContact CD2-CG 4.38Å; L198-L200 HydrophobicContact CG-CD1 4.17Å; L198-L200 HydrophobicContact CG-CD2 4.4Å; L198-L200 HydrophobicContact CG-CG 4.01Å; L200-N203 PolarHBondContact O-ND2 3.33Å; L200-F205 HydrophobicContact CB-CE2 4.07Å; L200-F205 HydrophobicContact CD2-CE2 4.26Å; L200-F205 HydrophobicContact CD2-CZ 4.42Å; L200-F212 HydrophobicContact CD1-CE2 4Å; L200-F212 HydrophobicContact CD1-CZ 3.85Å; L200-V225 HydrophobicContact CD1-CG1 4.05Å; L200-S226 CarbonylContact C-O 3.51Å; L200-S226 WeakPolarHBondContact CA-O 3.49Å; L200-S226 WeakPolarHBondContact CB-O 3.08Å; L200-S226 PolarHBondContact N-O 3.25Å; L200-M227 HydrophobicContact CB-CG 4.48Å; L200-N230 PolarHBondContact O-ND2 2.72Å | ||
| 201 | S | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | trans | -61.1 | 154.6 | -179.8 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | S178 D179 D199 N203 S226 Y228 | S178-S201 CarbonylContact C-O 3.52Å; S178-S201 WeakPolarHBondContact CA-O 3.24Å; S178-S201 WeakPolarHBondContact CB-OG 3.2Å; D179-S201 PolarHBondContact N-O 2.86Å; D199-S201 WeakPolarHBondContact OD1-CB 3.25Å; D199-S201 PolarHBondContact OD1-N 3.38Å; D199-S201 PolarHBondContact OD1-OG 3.41Å; D199-S201 PolarHBondContact OD2-OG 3.06Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3Å; S201-N203 PolarHBondContact O-ND2 2.99Å; S201-S226 WeakPolarHBondContact CB-OG 3.37Å; S201-Y228 CarbonylContact C-O 3.25Å; S201-Y228 WeakPolarHBondContact CA-O 3.39Å; S201-Y228 VanDerWaalsContact CB-O 3.23Å; S201-Y228 WeakPolarHBondContact CB-O 3.36Å | ||
| 202 | R | 98.8 | Very high | 97.9 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 52.4 | 49 | 178.3 | -61.5 | -178.4 | -63.6 | -71.7 | -7.3 | 112.4 | S178 D179 N180 Y228 Q229 | S178-R202 PolarHBondContact OG-NH2 3.06Å; D179-R202 CarbonylContact C-O 3.28Å; D179-R202 WeakPolarHBondContact CA-O 3.33Å; D179-R202 HydrophobicContact CB-CB 4.29Å; D179-R202 PolarHBondContact N-O 3.4Å; N180-R202 PolarHBondContact N-O 3.16Å; R202-Y228 PolarHBondContact N-O 2.98Å; R202-Q229 WeakPolarHBondContact CA-O 3.28Å; R202-Q229 HydrophobicContact CG-CB 3.72Å; R202-Q229 HydrophobicContact CG-CG 4.47Å |
| 203 | N | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -111.9 | -166.2 | 172.4 | -87.7 | -78.8 | 0 | 0 | 0 | 110.1 | L177 N180 L182 L200 S201 F205 N230 P231 | L177-N203 PolarHBondContact O-ND2 3.48Å; N180-N203 WeakPolarHBondContact CA-OD1 3.49Å; N180-N203 WeakPolarHBondContact CB-OD1 3.34Å; N180-N203 PolarHBondContact N-OD1 3.33Å; N180-N203 WeakPolarHBondContact O-CA 3.43Å; N180-N203 PolarHBondContact O-OD1 3.19Å; L182-N203 HydrophobicContact CB-CB 4.31Å; L182-N203 VanDerWaalsContact CB-OD1 3.25Å; L182-N203 WeakPolarHBondContact CB-OD1 3.34Å; L182-N203 WeakPolarHBondContact CG-OD1 3.49Å; L182-N203 PolarHBondContact N-OD1 2.89Å; L200-N203 PolarHBondContact O-ND2 3.33Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3Å; S201-N203 PolarHBondContact O-ND2 2.99Å; N203-F205 HydrophobicContact CB-CD2 3.62Å; N203-F205 HydrophobicContact CB-CE2 3.74Å; N203-N230 WeakPolarHBondContact CA-OD1 3.43Å; N203-N230 WeakPolarHBondContact CB-OD1 3.39Å; N203-N230 PolarHBondContact N-OD1 3.42Å; N203-N230 PolarHBondContact O-OD1 3.45Å; N203-N230 VanDerWaalsContact O-OD1 3.09Å; N203-P231 WeakPolarHBondContact O-CD 3.4Å |
| 204 | A | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | trans | -107.8 | 23.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L182 Q183 T206 | L182-A204 CarbonylContact O-C 3.48Å; L182-A204 VanDerWaalsContact O-C 3.26Å; L182-A204 WeakPolarHBondContact O-CA 3.23Å; L182-A204 PolarHBondContact O-N 3.34Å; Q183-A204 HydrophobicContact CG-CB 3.72Å; A204-T206 PolarHBondContact O-N 2.91Å; A204-T206 VanDerWaalsContact O-N 3.12Å | ||
| 205 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | trans | -66 | 113.7 | 178.3 | -68 | -79.6 | 0 | 0 | 0 | 110.7 | L182 Q183 V184 L185 L200 N203 F212 M227 N230 P231 F232 | L182-F205 HydrophobicContact CB-CE2 3.94Å; L182-F205 HydrophobicContact CB-CZ 3.9Å; L182-F205 PolarHBondContact O-N 2.82Å; Q183-F205 VanDerWaalsContact O-CD1 3.31Å; Q183-F205 WeakPolarHBondContact O-CD1 3.37Å; V184-F205 VanDerWaalsContact C-CE1 3.5Å; L185-F205 HydrophobicContact CB-CE1 4.24Å; L185-F205 HydrophobicContact CB-CZ 4.16Å; L200-F205 HydrophobicContact CB-CE2 4.07Å; L200-F205 HydrophobicContact CD2-CE2 4.26Å; L200-F205 HydrophobicContact CD2-CZ 4.42Å; N203-F205 HydrophobicContact CB-CD2 3.62Å; N203-F205 HydrophobicContact CB-CE2 3.74Å; F205-F212 HydrophobicContact CD1-CD2 4.36Å; F205-F212 HydrophobicContact CD1-CE2 4.12Å; F205-F212 AromaticContact CE1-CD2 3.91Å; F205-F212 HydrophobicContact CE1-CD2 3.91Å; F205-F212 AromaticContact CE1-CE2 3.65Å; F205-F212 HydrophobicContact CE1-CE2 3.65Å; F205-F212 HydrophobicContact CZ-CE2 4.01Å; F205-M227 HydrophobicContact CB-CE 4.19Å; F205-M227 HydrophobicContact CD2-CE 4.14Å; F205-M227 HydrophobicContact CG-CE 4.03Å; F205-N230 HydrophobicContact CB-CB 4.1Å; F205-N230 WeakPolarHBondContact CB-OD1 3.48Å; F205-N230 VanDerWaalsContact CD2-OD1 3.29Å; F205-N230 WeakPolarHBondContact CD2-OD1 3.18Å; F205-N230 PolarHBondContact N-OD1 3.35Å; F205-N230 VanDerWaalsContact N-OD1 3.15Å; F205-P231 CarbonylContact O-C 3.26Å; F205-P231 WeakPolarHBondContact O-CD 3.1Å; F205-F232 HydrophobicContact CB-CE1 4.29Å | ||
| 206 | T | 98 | Very high | 97.7 | Very high | 54 Ų | 54 | 42 Ų | 42 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | trans | -92.2 | -15.7 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | A204 P231 F232 H233 | A204-T206 PolarHBondContact O-N 2.91Å; A204-T206 VanDerWaalsContact O-N 3.12Å; T206-P231 WeakPolarHBondContact CA-O 3.29Å; T206-P231 HydrophobicContact CG2-CG 4.34Å; T206-F232 WeakPolarHBondContact O-CA 3.03Å; T206-H233 PolarHBondContact O-N 3.28Å | ||
| 207 | R | 97 | Very high | 97.6 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | trans | -160.1 | 161.1 | -179 | 65 | -167.2 | 74 | -168.4 | -1.4 | 109.8 | Y241 | R207-Y241 HydrophobicContact CB-CD1 4.26Å; R207-Y241 HydrophobicContact CB-CE1 4.03Å | ||
| 208 | M | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -104 | 96 | 166.4 | -55.2 | 169.8 | -162.3 | 0 | 0 | 107.2 | F212 M213 M227 F232 Y241 W244 L245 L257 | M208-F212 HydrophobicContact CB-CD1 3.69Å; M208-F212 HydrophobicContact CB-CE1 4.18Å; M208-F212 HydrophobicContact CB-CG 4.41Å; M208-F212 HydrophobicContact CG-CD1 3.91Å; M208-F212 HydrophobicContact CG-CE1 3.88Å; M208-F212 HydrophobicContact SD-CE1 4.39Å; M208-M213 HydrophobicContact CB-CG 4.17Å; M208-M227 HydrophobicContact CE-CE 4.23Å; M208-M227 HydrophobicContact CE-SD 3.57Å; M208-M227 VanDerWaalsContact CE-SD 3.57Å; M208-M227 HydrophobicContact CG-CE 4.25Å; M208-M227 HydrophobicContact CG-SD 4.3Å; M208-M227 HydrophobicContact SD-SD 4.11Å; M208-F232 HydrophobicContact CE-CD1 4.48Å; M208-F232 HydrophobicContact CE-CE1 3.55Å; M208-F232 HydrophobicContact CE-CE2 4.29Å; M208-F232 HydrophobicContact CE-CZ 3.43Å; M208-F232 VanDerWaalsContact CE-CZ 3.43Å; M208-F232 HydrophobicContact CG-CE1 3.95Å; M208-Y241 HydrophobicContact CB-CD2 4.39Å; M208-Y241 HydrophobicContact CB-CG 4.23Å; M208-Y241 HydrophobicContact CG-CD2 4.45Å; M208-Y241 WeakPolarHBondContact O-CB 3.29Å; M208-Y241 HydrophobicContact SD-CD2 4.45Å; M208-W244 HydrophobicContact SD-CE3 4.05Å; M208-W244 HydrophobicContact SD-CZ3 3.62Å; M208-L245 HydrophobicContact CE-CD1 4.01Å; M208-L245 HydrophobicContact CE-CD2 4.49Å; M208-L245 HydrophobicContact SD-CD1 4.32Å; M208-L257 HydrophobicContact CE-CD1 3.74Å | ||
| 209 | D | 95.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 34% | 0.342 | 22% | 0.217 | S | C | . | . | trans | -72.2 | 177.6 | -179.6 | 71.2 | 26.2 | 0 | 0 | 0 | 112.4 | N211 F212 M213 | D209-N211 VanDerWaalsContact C-N 3.26Å; D209-N211 PolarHBondContact O-N 3.38Å; D209-N211 WeakPolarHBondContact OD1-CA 3.16Å; D209-N211 WeakPolarHBondContact OD1-CB 3.19Å; D209-N211 PolarHBondContact OD1-N 2.89Å; D209-F212 PolarHBondContact O-N 3.11Å; D209-F212 WeakPolarHBondContact OD1-CB 3.5Å; D209-F212 PolarHBondContact OD1-N 2.9Å; D209-M213 WeakPolarHBondContact O-CG 3.34Å; D209-M213 PolarHBondContact O-N 3.45Å | ||
| 210 | V | 96.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.4 | -36.2 | -178.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | M213 R214 | V210-M213 HydrophobicContact CG2-CE 4.39Å; V210-R214 WeakPolarHBondContact O-CB 3.33Å; V210-R214 PolarHBondContact O-N 3.44Å |
| 211 | N | 96 | Very high | 97.2 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.6 | -41.9 | 179.7 | -74.4 | -37.1 | 0 | 0 | 0 | 111.2 | D209 R214 L215 | D209-N211 VanDerWaalsContact C-N 3.26Å; D209-N211 PolarHBondContact O-N 3.38Å; D209-N211 WeakPolarHBondContact OD1-CA 3.16Å; D209-N211 WeakPolarHBondContact OD1-CB 3.19Å; D209-N211 PolarHBondContact OD1-N 2.89Å; N211-R214 PolarHBondContact O-N 3.05Å; N211-R214 PolarHBondContact OD1-NH2 3.15Å; N211-L215 WeakPolarHBondContact O-CB 3.25Å; N211-L215 PolarHBondContact O-N 2.91Å |
| 212 | F | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 174.8 | -173.4 | -84.6 | 0 | 0 | 0 | 111.3 | L185 L200 F205 M208 D209 R214 L215 L216 M227 | L185-F212 HydrophobicContact CB-CD2 3.65Å; L185-F212 HydrophobicContact CB-CE2 3.67Å; L185-F212 HydrophobicContact CD2-CD2 4.37Å; L185-F212 HydrophobicContact CD2-CE2 3.9Å; L185-F212 HydrophobicContact CG-CE2 4.46Å; L200-F212 HydrophobicContact CD1-CE2 4Å; L200-F212 HydrophobicContact CD1-CZ 3.85Å; F205-F212 HydrophobicContact CD1-CD2 4.36Å; F205-F212 HydrophobicContact CD1-CE2 4.12Å; F205-F212 AromaticContact CE1-CD2 3.91Å; F205-F212 HydrophobicContact CE1-CD2 3.91Å; F205-F212 AromaticContact CE1-CE2 3.65Å; F205-F212 HydrophobicContact CE1-CE2 3.65Å; F205-F212 HydrophobicContact CZ-CE2 4.01Å; M208-F212 HydrophobicContact CB-CD1 3.69Å; M208-F212 HydrophobicContact CB-CE1 4.18Å; M208-F212 HydrophobicContact CB-CG 4.41Å; M208-F212 HydrophobicContact CG-CD1 3.91Å; M208-F212 HydrophobicContact CG-CE1 3.88Å; M208-F212 HydrophobicContact SD-CE1 4.39Å; D209-F212 PolarHBondContact O-N 3.11Å; D209-F212 WeakPolarHBondContact OD1-CB 3.5Å; D209-F212 PolarHBondContact OD1-N 2.9Å; F212-R214 VanDerWaalsContact C-N 3.31Å; F212-R214 PolarHBondContact O-N 2.87Å; F212-L215 PolarHBondContact O-N 3Å; F212-L216 HydrophobicContact CD1-CD1 3.95Å; F212-L216 HydrophobicContact CD1-CG 4.19Å; F212-L216 HydrophobicContact CE1-CD1 3.23Å; F212-L216 HydrophobicContact CE1-CG 3.83Å; F212-L216 HydrophobicContact CZ-CD1 3.75Å; F212-L216 HydrophobicContact CZ-CD2 4.48Å; F212-L216 HydrophobicContact CZ-CG 4.22Å; F212-L216 WeakPolarHBondContact O-CG 3.3Å; F212-L216 PolarHBondContact O-N 3.37Å; F212-M227 HydrophobicContact CE1-CE 3.75Å; F212-M227 HydrophobicContact CE1-SD 3.59Å; F212-M227 VanDerWaalsContact CE1-SD 3.59Å; F212-M227 HydrophobicContact CE2-CE 3.98Å; F212-M227 HydrophobicContact CZ-CE 3.26Å; F212-M227 HydrophobicContact CZ-SD 3.48Å; F212-M227 WeakPolarHBondContact CZ-SD 3.38Å |
| 213 | M | 97.4 | Very high | 97 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.4 | -67.4 | -175.5 | -70 | 0 | 0 | 111.8 | M208 D209 V210 L216 S217 W244 | M208-M213 HydrophobicContact CB-CG 4.17Å; D209-M213 WeakPolarHBondContact O-CG 3.34Å; D209-M213 PolarHBondContact O-N 3.45Å; V210-M213 HydrophobicContact CG2-CE 4.39Å; M213-L216 PolarHBondContact O-N 2.86Å; M213-S217 WeakPolarHBondContact O-CB 3.41Å; M213-S217 PolarHBondContact O-N 3.02Å; M213-S217 PolarHBondContact O-OG 2.94Å; M213-W244 HydrophobicContact CB-CD2 4.2Å; M213-W244 HydrophobicContact CB-CG 4.46Å; M213-W244 HydrophobicContact CB-CZ2 4.46Å; M213-W244 HydrophobicContact CG-CD2 3.69Å; M213-W244 HydrophobicContact CG-CE3 3.82Å; M213-W244 HydrophobicContact CG-CG 4.04Å; M213-W244 HydrophobicContact CG-CZ2 4.5Å; M213-W244 HydrophobicContact CG-CZ3 4.31Å; M213-W244 HydrophobicContact SD-CB 3.44Å; M213-W244 WeakPolarHBondContact SD-CB 3.03Å; M213-W244 HydrophobicContact SD-CD2 3.69Å; M213-W244 HydrophobicContact SD-CE3 4Å; M213-W244 HydrophobicContact SD-CG 3.44Å |
| 214 | R | 96.8 | Very high | 96.9 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.1 | 178.4 | 175.9 | 60.4 | 85.3 | 2 | 112.3 | V210 N211 F212 Q218 | V210-R214 WeakPolarHBondContact O-CB 3.33Å; V210-R214 PolarHBondContact O-N 3.44Å; N211-R214 PolarHBondContact O-N 3.05Å; N211-R214 PolarHBondContact OD1-NH2 3.15Å; F212-R214 VanDerWaalsContact C-N 3.31Å; F212-R214 PolarHBondContact O-N 2.87Å; R214-Q218 WeakPolarHBondContact O-CG 3.45Å; R214-Q218 PolarHBondContact O-N 3.36Å; R214-Q218 PolarHBondContact O-NE2 3.31Å |
| 215 | L | 97.3 | Very high | 97 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -52 | 175.4 | -176.2 | 162.2 | 0 | 0 | 0 | 110.1 | L185 L187 N211 F212 S217 Q218 L219 | L185-L215 HydrophobicContact CD2-CD1 4.16Å; L185-L215 HydrophobicContact CD2-CD2 3.76Å; L185-L215 HydrophobicContact CG-CD1 3.97Å; L185-L215 HydrophobicContact CG-CD2 4.45Å; L185-L215 WeakPolarHBondContact O-CD1 3.39Å; L187-L215 HydrophobicContact CB-CD1 4.39Å; L187-L215 VanDerWaalsContact O-CD1 3.25Å; L187-L215 WeakPolarHBondContact O-CD1 3.32Å; N211-L215 WeakPolarHBondContact O-CB 3.25Å; N211-L215 PolarHBondContact O-N 2.91Å; F212-L215 PolarHBondContact O-N 3Å; L215-S217 PolarHBondContact O-N 3.2Å; L215-Q218 PolarHBondContact O-N 2.9Å; L215-L219 HydrophobicContact CD2-CD1 4.39Å; L215-L219 HydrophobicContact CD2-CD2 4.39Å; L215-L219 HydrophobicContact CD2-CG 4.38Å; L215-L219 PolarHBondContact O-N 3.16Å |
| 216 | L | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -32.5 | -179.2 | -65.2 | -165.1 | 0 | 0 | 0 | 113 | L185 L198 F212 M213 Q218 L219 V225 W244 I251 | L185-L216 HydrophobicContact CD2-CD2 4.18Å; L198-L216 HydrophobicContact CD2-CD2 4.1Å; F212-L216 HydrophobicContact CD1-CD1 3.95Å; F212-L216 HydrophobicContact CD1-CG 4.19Å; F212-L216 HydrophobicContact CE1-CD1 3.23Å; F212-L216 HydrophobicContact CE1-CG 3.83Å; F212-L216 HydrophobicContact CZ-CD1 3.75Å; F212-L216 HydrophobicContact CZ-CD2 4.48Å; F212-L216 HydrophobicContact CZ-CG 4.22Å; F212-L216 WeakPolarHBondContact O-CG 3.3Å; F212-L216 PolarHBondContact O-N 3.37Å; M213-L216 PolarHBondContact O-N 2.86Å; L216-Q218 PolarHBondContact O-N 2.92Å; L216-L219 HydrophobicContact CD2-CD1 3.67Å; L216-L219 PolarHBondContact O-N 3.43Å; L216-V225 HydrophobicContact CD1-CG1 4.25Å; L216-V225 HydrophobicContact CD2-CG1 4.36Å; L216-V225 HydrophobicContact CD2-CG2 4.13Å; L216-W244 HydrophobicContact CB-CH2 4.28Å; L216-W244 HydrophobicContact CB-CZ2 4.27Å; L216-W244 HydrophobicContact CD1-CH2 3.81Å; L216-I251 HydrophobicContact CD1-CD1 3.55Å |
| 217 | S | 95.7 | Very high | 97 | Very high | 64 Ų | 64 | 48 Ų | 48 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.8 | -17.5 | 176.2 | -56 | 0 | 0 | 0 | 0 | 113.4 | M213 L215 | M213-S217 WeakPolarHBondContact O-CB 3.41Å; M213-S217 PolarHBondContact O-N 3.02Å; M213-S217 PolarHBondContact O-OG 2.94Å; L215-S217 PolarHBondContact O-N 3.2Å |
| 218 | Q | 97.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6.8 | 176.8 | -70.5 | 169.7 | 81.6 | 0 | 0 | 113.5 | P189 Q193 R214 L215 L216 | P189-Q218 HydrophobicContact CB-CB 3.81Å; P189-Q218 HydrophobicContact CG-CB 4.35Å; Q193-Q218 PolarHBondContact NE2-O 3.41Å; R214-Q218 WeakPolarHBondContact O-CG 3.45Å; R214-Q218 PolarHBondContact O-N 3.36Å; R214-Q218 PolarHBondContact O-NE2 3.31Å; L215-Q218 PolarHBondContact O-N 2.9Å; L216-Q218 PolarHBondContact O-N 2.92Å |
| 219 | L | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -72 | 157 | 172.8 | -61.8 | -178.5 | 0 | 0 | 0 | 110.4 | L192 L198 L215 L216 C223 V225 K250 | L192-L219 HydrophobicContact CB-CD2 3.64Å; L192-L219 HydrophobicContact CD1-CD2 3.76Å; L192-L219 HydrophobicContact CG-CD2 4.36Å; L198-L219 HydrophobicContact CD2-CD1 3.98Å; L215-L219 HydrophobicContact CD2-CD1 4.39Å; L215-L219 HydrophobicContact CD2-CD2 4.39Å; L215-L219 HydrophobicContact CD2-CG 4.38Å; L215-L219 PolarHBondContact O-N 3.16Å; L216-L219 HydrophobicContact CD2-CD1 3.67Å; L216-L219 PolarHBondContact O-N 3.43Å; L219-C223 HydrophobicContact CB-CB 4.21Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; L219-K250 PolarHBondContact O-NZ 3.38Å |
| 220 | P | 97.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 48 Ų | 48 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | trans | -51.9 | 146.9 | 175 | -28 | 36.3 | 0 | 0 | 0 | 113.1 | L192 Q193 S222 C223 K250 | L192-P220 WeakPolarHBondContact O-CD 3.24Å; Q193-P220 WeakPolarHBondContact O-CG 3.22Å; P220-S222 PolarHBondContact O-N 3.09Å; P220-C223 HydrophobicContact CB-CB 4.44Å; P220-C223 WeakPolarHBondContact O-CB 3.34Å; P220-C223 PolarHBondContact O-N 3.19Å; P220-K250 VanDerWaalsContact C-NZ 3.26Å; P220-K250 PolarHBondContact O-NZ 2.74Å | ||
| 221 | E | 94.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 45.2 Ų | 45.2 | 66% | 0.659 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.8 | 178.6 | -70.9 | -51.4 | 117.7 | 0 | 0 | 113.4 | C223 K250 | E221-C223 PolarHBondContact O-N 2.88Å; E221-K250 VanDerWaalsContact CA-NZ 3.34Å; E221-K250 VanDerWaalsContact CD-NZ 3.35Å; E221-K250 WeakPolarHBondContact OE1-CE 3.45Å; E221-K250 IonicContact OE1-NZ 3.82Å; E221-K250 PolarHBondContact OE1-NZ 3.36Å; E221-K250 IonicContact OE2-NZ 3.4Å |
| 222 | S | 95 | Very high | 97.5 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 65% | 0.65 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.5 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | P220 A224 | P220-S222 PolarHBondContact O-N 3.09Å; S222-A224 PolarHBondContact O-N 2.9Å |
| 223 | C | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | trans | -75.3 | 114.4 | -176.5 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | L195 T196 L219 P220 E221 | L195-C223 WeakPolarHBondContact O-CB 3.19Å; T196-C223 WeakPolarHBondContact O-CA 3.39Å; L219-C223 HydrophobicContact CB-CB 4.21Å; P220-C223 HydrophobicContact CB-CB 4.44Å; P220-C223 WeakPolarHBondContact O-CB 3.34Å; P220-C223 PolarHBondContact O-N 3.19Å; E221-C223 PolarHBondContact O-N 2.88Å | ||
| 224 | A | 97.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T196 Q197 L198 S222 H252 | T196-A224 PolarHBondContact O-N 3.15Å; Q197-A224 WeakPolarHBondContact CA-O 3.38Å; L198-A224 PolarHBondContact N-O 3.05Å; S222-A224 PolarHBondContact O-N 2.9Å; A224-H252 HydrophobicContact CB-CB 4.36Å |
| 225 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.4 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | L198 L200 L216 L219 M227 K250 I251 H252 | L198-V225 HydrophobicContact CB-CG1 4.45Å; L198-V225 HydrophobicContact CB-CG2 4.26Å; L198-V225 HydrophobicContact CD2-CG1 4.36Å; L198-V225 HydrophobicContact CD2-CG2 4.48Å; L198-V225 HydrophobicContact CG-CG1 4.42Å; L198-V225 CarbonylContact O-C 3.55Å; L198-V225 VanDerWaalsContact O-CA 3.29Å; L198-V225 WeakPolarHBondContact O-CA 3.22Å; L200-V225 HydrophobicContact CD1-CG1 4.05Å; L216-V225 HydrophobicContact CD1-CG1 4.25Å; L216-V225 HydrophobicContact CD2-CG1 4.36Å; L216-V225 HydrophobicContact CD2-CG2 4.13Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; V225-M227 HydrophobicContact CG1-CG 4.16Å; V225-K250 WeakPolarHBondContact CB-O 3.33Å; V225-K250 PolarHBondContact N-O 3.19Å; V225-I251 HydrophobicContact CB-CD1 3.86Å; V225-I251 HydrophobicContact CG1-CD1 3.81Å; V225-I251 WeakPolarHBondContact O-CA 3.22Å; V225-H252 VanDerWaalsContact C-ND1 3.29Å; V225-H252 PolarHBondContact O-N 2.78Å; V225-H252 PolarHBondContact O-ND1 3.27Å |
| 226 | S | 98.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.2 | 170.5 | 140.7 | 0 | 0 | 0 | 0 | 109.6 | L198 D199 L200 S201 H252 D253 | L198-S226 PolarHBondContact O-N 3.04Å; D199-S226 WeakPolarHBondContact OD1-CB 3.34Å; D199-S226 PolarHBondContact OD1-OG 2.85Å; L200-S226 CarbonylContact C-O 3.51Å; L200-S226 WeakPolarHBondContact CA-O 3.49Å; L200-S226 WeakPolarHBondContact CB-O 3.08Å; L200-S226 PolarHBondContact N-O 3.25Å; S201-S226 WeakPolarHBondContact CB-OG 3.37Å; S226-H252 WeakPolarHBondContact CB-CE1 3.48Å; S226-D253 VanDerWaalsContact CA-OD2 3.32Å; S226-D253 WeakPolarHBondContact CA-OD2 3.39Å; S226-D253 WeakPolarHBondContact CB-OD2 3.47Å; S226-D253 PolarHBondContact OG-OD2 2.77Å |
| 227 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -131.4 | 13.9 | 174.4 | -65.8 | -163.8 | 79.1 | 0 | 0 | 112.7 | L200 F205 M208 F212 V225 N230 F232 I251 D253 L257 | L200-M227 HydrophobicContact CB-CG 4.48Å; F205-M227 HydrophobicContact CB-CE 4.19Å; F205-M227 HydrophobicContact CD2-CE 4.14Å; F205-M227 HydrophobicContact CG-CE 4.03Å; M208-M227 HydrophobicContact CE-CE 4.23Å; M208-M227 HydrophobicContact CE-SD 3.57Å; M208-M227 VanDerWaalsContact CE-SD 3.57Å; M208-M227 HydrophobicContact CG-CE 4.25Å; M208-M227 HydrophobicContact CG-SD 4.3Å; M208-M227 HydrophobicContact SD-SD 4.11Å; F212-M227 HydrophobicContact CE1-CE 3.75Å; F212-M227 HydrophobicContact CE1-SD 3.59Å; F212-M227 VanDerWaalsContact CE1-SD 3.59Å; F212-M227 HydrophobicContact CE2-CE 3.98Å; F212-M227 HydrophobicContact CZ-CE 3.26Å; F212-M227 HydrophobicContact CZ-SD 3.48Å; F212-M227 WeakPolarHBondContact CZ-SD 3.38Å; V225-M227 HydrophobicContact CG1-CG 4.16Å; M227-N230 PolarHBondContact O-ND2 3.03Å; M227-F232 HydrophobicContact CB-CE2 4.5Å; M227-F232 HydrophobicContact CB-CZ 4.18Å; M227-F232 HydrophobicContact CE-CE1 4.07Å; M227-F232 HydrophobicContact CE-CZ 3.67Å; M227-F232 HydrophobicContact SD-CZ 4.24Å; M227-I251 HydrophobicContact CG-CD1 4.06Å; M227-I251 HydrophobicContact SD-CD1 3.76Å; M227-D253 PolarHBondContact N-OD1 2.96Å; M227-D253 VanDerWaalsContact N-OD1 3.11Å; M227-D253 PolarHBondContact N-OD2 2.78Å; M227-L257 HydrophobicContact CB-CD1 4.22Å; M227-L257 HydrophobicContact CB-CD2 4.14Å; M227-L257 WeakPolarHBondContact O-CD2 3.25Å | ||
| 228 | Y | 98.3 | Very high | 97.5 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 37% | 0.373 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 145.3 | 179.9 | -176.2 | -119.4 | 0 | 0 | 0 | 112.8 | S201 R202 N230 D253 L256 | S201-Y228 CarbonylContact C-O 3.25Å; S201-Y228 WeakPolarHBondContact CA-O 3.39Å; S201-Y228 VanDerWaalsContact CB-O 3.23Å; S201-Y228 WeakPolarHBondContact CB-O 3.36Å; R202-Y228 PolarHBondContact N-O 2.98Å; Y228-N230 VanDerWaalsContact C-N 3.34Å; Y228-N230 PolarHBondContact O-N 3Å; Y228-D253 VanDerWaalsContact CB-OD2 3.23Å; Y228-D253 WeakPolarHBondContact CB-OD2 3.19Å; Y228-D253 PolarHBondContact N-OD2 3.02Å; Y228-L256 HydrophobicContact CD2-CB 3.79Å; Y228-L256 HydrophobicContact CD2-CD1 4.29Å; Y228-L256 HydrophobicContact CE2-CB 4.03Å; Y228-L256 HydrophobicContact CE2-CD1 4.45Å |
| 229 | Q | 98 | Very high | 97.5 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 37.6 | 178.6 | -72 | 173.9 | -43.2 | 0 | 0 | 115.1 | R202 | R202-Q229 WeakPolarHBondContact CA-O 3.28Å; R202-Q229 HydrophobicContact CG-CB 3.72Å; R202-Q229 HydrophobicContact CG-CG 4.47Å |
| 230 | N | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | trans | -97.2 | 144.8 | 165.5 | -83.2 | -77 | 0 | 0 | 0 | 111.7 | L200 N203 F205 M227 Y228 F232 Y260 | L200-N230 PolarHBondContact O-ND2 2.72Å; N203-N230 WeakPolarHBondContact CA-OD1 3.43Å; N203-N230 WeakPolarHBondContact CB-OD1 3.39Å; N203-N230 PolarHBondContact N-OD1 3.42Å; N203-N230 PolarHBondContact O-OD1 3.45Å; N203-N230 VanDerWaalsContact O-OD1 3.09Å; F205-N230 HydrophobicContact CB-CB 4.1Å; F205-N230 WeakPolarHBondContact CB-OD1 3.48Å; F205-N230 VanDerWaalsContact CD2-OD1 3.29Å; F205-N230 WeakPolarHBondContact CD2-OD1 3.18Å; F205-N230 PolarHBondContact N-OD1 3.35Å; F205-N230 VanDerWaalsContact N-OD1 3.15Å; M227-N230 PolarHBondContact O-ND2 3.03Å; Y228-N230 VanDerWaalsContact C-N 3.34Å; Y228-N230 PolarHBondContact O-N 3Å; N230-F232 HydrophobicContact CB-CD2 3.99Å; N230-F232 HydrophobicContact CB-CE1 4.48Å; N230-F232 HydrophobicContact CB-CE2 3.53Å; N230-F232 HydrophobicContact CB-CZ 3.81Å; N230-F232 WeakPolarHBondContact O-CD2 3.49Å; N230-F232 PolarHBondContact O-N 3.19Å; N230-Y260 VanDerWaalsContact O-CD2 3.23Å; N230-Y260 WeakPolarHBondContact O-CD2 3.42Å; N230-Y260 WeakPolarHBondContact O-CE2 3.25Å | ||
| 231 | P | 98.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | -79.5 | 55.7 | -174.3 | 35.2 | -39.1 | 0 | 0 | 0 | 112.8 | N203 F205 T206 H233 | N203-P231 WeakPolarHBondContact O-CD 3.4Å; F205-P231 CarbonylContact O-C 3.26Å; F205-P231 WeakPolarHBondContact O-CD 3.1Å; T206-P231 WeakPolarHBondContact CA-O 3.29Å; T206-P231 HydrophobicContact CG2-CG 4.34Å; P231-H233 PolarHBondContact O-N 2.9Å | ||
| 232 | F | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | trans | -57.1 | 133.8 | -177.9 | -66.5 | -71.5 | 0 | 0 | 0 | 112.4 | F205 T206 M208 M227 N230 L257 C259 Y260 S261 L272 | F205-F232 HydrophobicContact CB-CE1 4.29Å; T206-F232 WeakPolarHBondContact O-CA 3.03Å; M208-F232 HydrophobicContact CE-CD1 4.48Å; M208-F232 HydrophobicContact CE-CE1 3.55Å; M208-F232 HydrophobicContact CE-CE2 4.29Å; M208-F232 HydrophobicContact CE-CZ 3.43Å; M208-F232 VanDerWaalsContact CE-CZ 3.43Å; M208-F232 HydrophobicContact CG-CE1 3.95Å; M227-F232 HydrophobicContact CB-CE2 4.5Å; M227-F232 HydrophobicContact CB-CZ 4.18Å; M227-F232 HydrophobicContact CE-CE1 4.07Å; M227-F232 HydrophobicContact CE-CZ 3.67Å; M227-F232 HydrophobicContact SD-CZ 4.24Å; N230-F232 HydrophobicContact CB-CD2 3.99Å; N230-F232 HydrophobicContact CB-CE1 4.48Å; N230-F232 HydrophobicContact CB-CE2 3.53Å; N230-F232 HydrophobicContact CB-CZ 3.81Å; N230-F232 WeakPolarHBondContact O-CD2 3.49Å; N230-F232 PolarHBondContact O-N 3.19Å; F232-L257 HydrophobicContact CD2-CB 4.43Å; F232-L257 HydrophobicContact CE2-CB 4.3Å; F232-L257 HydrophobicContact CE2-CD1 3.89Å; F232-L257 HydrophobicContact CE2-CD2 4.07Å; F232-L257 HydrophobicContact CE2-CG 4.3Å; F232-L257 HydrophobicContact CZ-CD1 4.22Å; F232-C259 CarbonylContact O-C 3.46Å; F232-Y260 PolarHBondContact O-N 3.46Å; F232-S261 PolarHBondContact O-N 3Å; F232-L272 HydrophobicContact CB-CD1 4.04Å; F232-L272 HydrophobicContact CB-CD2 3.99Å; F232-L272 HydrophobicContact CD1-CD2 4.16Å; F232-L272 HydrophobicContact CD2-CD1 4.49Å; F232-L272 HydrophobicContact CD2-CD2 3.84Å; F232-L272 HydrophobicContact CE2-CD2 4.34Å; F232-L272 HydrophobicContact CG-CD1 4.49Å; F232-L272 HydrophobicContact CG-CD2 3.73Å | ||
| 233 | H | 97.5 | Very high | 97.7 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.6 | 175.3 | -174.5 | 59.5 | 0 | 0 | 0 | 110 | T206 P231 D235 S238 Y241 S261 | T206-H233 PolarHBondContact O-N 3.28Å; P231-H233 PolarHBondContact O-N 2.9Å; H233-D235 VanDerWaalsContact CD2-CG 3.42Å; H233-D235 IonicContact CD2-OD1 3.95Å; H233-D235 IonicContact CD2-OD2 3.8Å; H233-D235 PolarHBondContact CD2-OD2 3.11Å; H233-D235 WeakPolarHBondContact NE2-CB 3.42Å; H233-D235 IonicContact NE2-OD2 3.35Å; H233-D235 PolarHBondContact NE2-OD2 3.4Å; H233-S238 PolarHBondContact O-OG 2.81Å; H233-Y241 PolarHBondContact O-OH 2.97Å; H233-S261 CarbonylContact C-O 3.59Å; H233-S261 WeakPolarHBondContact CA-O 3.31Å; H233-S261 WeakPolarHBondContact ND1-CB 3.47Å; H233-S261 PolarHBondContact ND1-O 3.25Å; H233-S261 PolarHBondContact ND1-OG 3.32Å |
| 234 | C | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 100.8 | -179.6 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | S238 C259 S261 A262 S263 L280 | C234-S238 WeakPolarHBondContact CA-OG 3.43Å; C234-C259 HydrophobicContact CB-CB 3.71Å; C234-C259 WeakPolarHBondContact CB-SG 3.44Å; C234-C259 WeakPolarHBondContact SG-CB 3.25Å; C234-C259 CovalentContact SG-SG 2.03Å; C234-C259 PolarHBondContact SG-SG 3.29Å; C234-S261 PolarHBondContact N-O 3Å; C234-A262 HydrophobicContact CB-CB 4.06Å; C234-A262 CarbonylContact O-C 3.48Å; C234-A262 WeakPolarHBondContact O-CA 3.21Å; C234-A262 WeakPolarHBondContact O-CB 3.46Å; C234-S263 PolarHBondContact O-N 3.3Å; C234-L280 HydrophobicContact CB-CD2 4.24Å |
| 235 | D | 97.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -140.2 | -172.8 | -179.4 | 69.5 | -5.8 | 0 | 0 | 0 | 111.5 | H233 K237 S238 L280 T281 | H233-D235 VanDerWaalsContact CD2-CG 3.42Å; H233-D235 IonicContact CD2-OD1 3.95Å; H233-D235 IonicContact CD2-OD2 3.8Å; H233-D235 PolarHBondContact CD2-OD2 3.11Å; H233-D235 WeakPolarHBondContact NE2-CB 3.42Å; H233-D235 IonicContact NE2-OD2 3.35Å; H233-D235 PolarHBondContact NE2-OD2 3.4Å; D235-K237 PolarHBondContact O-N 3.39Å; D235-K237 WeakPolarHBondContact OD1-CA 3Å; D235-K237 WeakPolarHBondContact OD1-CB 3.3Å; D235-K237 PolarHBondContact OD1-N 3.22Å; D235-S238 PolarHBondContact N-OG 3.01Å; D235-S238 WeakPolarHBondContact O-CB 3.38Å; D235-S238 PolarHBondContact O-N 3.01Å; D235-S238 PolarHBondContact O-OG 3.29Å; D235-S238 PolarHBondContact OD1-N 3.13Å; D235-S238 PolarHBondContact OD1-OG 2.04Å; D235-L280 WeakPolarHBondContact O-CD1 3.15Å; D235-T281 WeakPolarHBondContact CB-O 3.47Å |
| 236 | C | 96.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.1 | 178.9 | 84.8 | 0 | 0 | 0 | 0 | 114.8 | T281 C282 | C236-T281 PolarHBondContact N-O 2.8Å; C236-T281 VanDerWaalsContact N-O 3.1Å; C236-C282 HydrophobicContact CB-CB 4.01Å; C236-C282 WeakPolarHBondContact CB-SG 3.42Å; C236-C282 PolarHBondContact N-SG 3.08Å; C236-C282 WeakPolarHBondContact SG-CB 3.47Å; C236-C282 CovalentContact SG-SG 2.02Å; C236-C282 PolarHBondContact SG-SG 2.79Å |
| 237 | K | 96 | Very high | 97.4 | Very high | 148 Ų | 148 | 45.8 Ų | 45.8 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.1 | 176.7 | -61.3 | 177.7 | -178.5 | 178 | 0 | 112.7 | D235 | D235-K237 PolarHBondContact O-N 3.39Å; D235-K237 WeakPolarHBondContact OD1-CA 3Å; D235-K237 WeakPolarHBondContact OD1-CB 3.3Å; D235-K237 PolarHBondContact OD1-N 3.22Å |
| 238 | S | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -92.3 | -13.3 | -174.1 | -58 | 0 | 0 | 0 | 0 | 113.7 | H233 C234 D235 A240 Y241 L242 | H233-S238 PolarHBondContact O-OG 2.81Å; C234-S238 WeakPolarHBondContact CA-OG 3.43Å; D235-S238 PolarHBondContact N-OG 3.01Å; D235-S238 WeakPolarHBondContact O-CB 3.38Å; D235-S238 PolarHBondContact O-N 3.01Å; D235-S238 PolarHBondContact O-OG 3.29Å; D235-S238 PolarHBondContact OD1-N 3.13Å; D235-S238 PolarHBondContact OD1-OG 2.04Å; S238-A240 PolarHBondContact O-N 3.42Å; S238-Y241 VanDerWaalsContact CA-CE1 3.41Å; S238-Y241 VanDerWaalsContact O-CD1 3.31Å; S238-Y241 WeakPolarHBondContact O-CD1 3.38Å; S238-Y241 PolarHBondContact O-N 3.2Å; S238-Y241 WeakPolarHBondContact OG-CE1 3.19Å; S238-L242 VanDerWaalsContact O-CG 3.25Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 2.92Å | ||
| 239 | S | 96.6 | Very high | 97 | Very high | 43 Ų | 43 | 48 Ų | 48 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -48.4 | -51.9 | -174 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | Y241 L242 E243 | S239-Y241 PolarHBondContact O-N 3Å; S239-L242 PolarHBondContact O-N 3.17Å; S239-E243 WeakPolarHBondContact O-CG 3.35Å; S239-E243 PolarHBondContact O-N 3.22Å |
| 240 | A | 96.6 | Very high | 96.9 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 45% | 0.446 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -44.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S238 W244 | S238-A240 PolarHBondContact O-N 3.42Å; A240-W244 WeakPolarHBondContact O-CB 3.47Å; A240-W244 PolarHBondContact O-N 3.22Å |
| 241 | Y | 97.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -80 | -27.9 | -177.6 | 84.9 | -107 | 0 | 0 | 0 | 112.7 | R207 M208 H233 S238 S239 L245 L272 | R207-Y241 HydrophobicContact CB-CD1 4.26Å; R207-Y241 HydrophobicContact CB-CE1 4.03Å; M208-Y241 HydrophobicContact CB-CD2 4.39Å; M208-Y241 HydrophobicContact CB-CG 4.23Å; M208-Y241 HydrophobicContact CG-CD2 4.45Å; M208-Y241 WeakPolarHBondContact O-CB 3.29Å; M208-Y241 HydrophobicContact SD-CD2 4.45Å; H233-Y241 PolarHBondContact O-OH 2.97Å; S238-Y241 VanDerWaalsContact CA-CE1 3.41Å; S238-Y241 VanDerWaalsContact O-CD1 3.31Å; S238-Y241 WeakPolarHBondContact O-CD1 3.38Å; S238-Y241 PolarHBondContact O-N 3.2Å; S238-Y241 WeakPolarHBondContact OG-CE1 3.19Å; S239-Y241 PolarHBondContact O-N 3Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.49Å; Y241-L245 PolarHBondContact O-N 3.02Å; Y241-L272 HydrophobicContact CE2-CD2 3.81Å; Y241-L272 HydrophobicContact CE2-CG 4.37Å |
| 242 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 172.7 | -64.7 | 169.6 | 0 | 0 | 0 | 110.9 | S238 S239 R246 L272 V275 I277 L280 | S238-L242 VanDerWaalsContact O-CG 3.25Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 2.92Å; S239-L242 PolarHBondContact O-N 3.17Å; L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.07Å; L242-L272 HydrophobicContact CD2-CB 3.85Å; L242-L272 HydrophobicContact CD2-CD2 4.39Å; L242-L272 HydrophobicContact CD2-CG 3.72Å; L242-L272 WeakPolarHBondContact CD2-O 3.41Å; L242-V275 HydrophobicContact CD1-CB 4.16Å; L242-V275 HydrophobicContact CD1-CG1 3.87Å; L242-V275 HydrophobicContact CD2-CG2 4.45Å; L242-I277 HydrophobicContact CB-CD1 4.07Å; L242-I277 HydrophobicContact CB-CG1 4.42Å; L242-L280 HydrophobicContact CD1-CD1 3.63Å |
| 243 | E | 96.9 | Very high | 96.8 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 172.3 | -72.8 | 175 | -177.1 | 0 | 0 | 111.6 | S239 L245 R246 I277 | S239-E243 WeakPolarHBondContact O-CG 3.35Å; S239-E243 PolarHBondContact O-N 3.22Å; E243-L245 PolarHBondContact O-N 2.03Å; E243-R246 WeakPolarHBondContact O-CB 3.31Å; E243-R246 PolarHBondContact O-N 2.81Å; E243-I277 HydrophobicContact CG-CD1 3.43Å; E243-I277 VanDerWaalsContact CG-CD1 3.43Å |
| 244 | W | 97.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.6 | 177.6 | 84.9 | 0 | 0 | 0 | 112.5 | M208 M213 L216 A240 R246 T247 T248 I251 | M208-W244 HydrophobicContact SD-CE3 4.05Å; M208-W244 HydrophobicContact SD-CZ3 3.62Å; M213-W244 HydrophobicContact CB-CD2 4.2Å; M213-W244 HydrophobicContact CB-CG 4.46Å; M213-W244 HydrophobicContact CB-CZ2 4.46Å; M213-W244 HydrophobicContact CG-CD2 3.69Å; M213-W244 HydrophobicContact CG-CE3 3.82Å; M213-W244 HydrophobicContact CG-CG 4.04Å; M213-W244 HydrophobicContact CG-CZ2 4.5Å; M213-W244 HydrophobicContact CG-CZ3 4.31Å; M213-W244 HydrophobicContact SD-CB 3.44Å; M213-W244 WeakPolarHBondContact SD-CB 3.03Å; M213-W244 HydrophobicContact SD-CD2 3.69Å; M213-W244 HydrophobicContact SD-CE3 4Å; M213-W244 HydrophobicContact SD-CG 3.44Å; L216-W244 HydrophobicContact CB-CH2 4.28Å; L216-W244 HydrophobicContact CB-CZ2 4.27Å; L216-W244 HydrophobicContact CD1-CH2 3.81Å; A240-W244 WeakPolarHBondContact O-CB 3.47Å; A240-W244 PolarHBondContact O-N 3.22Å; W244-R246 PolarHBondContact O-N 3.18Å; W244-T247 PolarHBondContact O-N 3.27Å; W244-T247 VanDerWaalsContact O-N 3.07Å; W244-T247 PolarHBondContact O-OG1 2.87Å; W244-T248 HydrophobicContact CD2-CG2 4.17Å; W244-T248 HydrophobicContact CE3-CG2 3.96Å; W244-T248 HydrophobicContact CH2-CG2 3.82Å; W244-T248 HydrophobicContact CZ2-CG2 4.04Å; W244-T248 HydrophobicContact CZ3-CG2 3.78Å; W244-T248 WeakPolarHBondContact O-CB 3.41Å; W244-T248 WeakPolarHBondContact O-CG2 3.42Å; W244-T248 PolarHBondContact O-N 3.39Å; W244-I251 HydrophobicContact CH2-CD1 4.23Å; W244-I251 HydrophobicContact CH2-CG1 4.06Å; W244-I251 HydrophobicContact CZ3-CD1 4.44Å; W244-I251 HydrophobicContact CZ3-CG1 4.02Å |
| 245 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -27.2 | 179.2 | -171.8 | 68.8 | 0 | 0 | 0 | 112.7 | M208 Y241 E243 T247 T248 I251 A254 L257 L272 K273 | M208-L245 HydrophobicContact CE-CD1 4.01Å; M208-L245 HydrophobicContact CE-CD2 4.49Å; M208-L245 HydrophobicContact SD-CD1 4.32Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.49Å; Y241-L245 PolarHBondContact O-N 3.02Å; E243-L245 PolarHBondContact O-N 2.03Å; L245-T247 VanDerWaalsContact C-N 3.34Å; L245-T248 HydrophobicContact CD1-CG2 4.3Å; L245-I251 HydrophobicContact CD1-CB 3.97Å; L245-I251 HydrophobicContact CD1-CG1 3.79Å; L245-I251 HydrophobicContact CD1-CG2 4.17Å; L245-A254 HydrophobicContact CD1-CB 3.94Å; L245-A254 HydrophobicContact CG-CB 4.29Å; L245-L257 HydrophobicContact CD1-CD1 4.24Å; L245-L257 HydrophobicContact CD2-CD1 4.11Å; L245-L272 HydrophobicContact CD2-CB 3.55Å; L245-L272 HydrophobicContact CD2-CD2 3.85Å; L245-L272 HydrophobicContact CD2-CG 4.33Å; L245-K273 HydrophobicContact CD2-CG 4.49Å; L245-K273 HydrophobicContact CG-CG 4.49Å |
| 246 | R | 96.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.8 | -26.5 | 175.7 | -72.9 | 168 | 172.9 | 161.1 | 4.6 | 113.1 | L242 E243 W244 K273 V275 | L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.07Å; E243-R246 WeakPolarHBondContact O-CB 3.31Å; E243-R246 PolarHBondContact O-N 2.81Å; W244-R246 PolarHBondContact O-N 3.18Å; R246-K273 HydrophobicContact CG-CG 4.36Å; R246-K273 PolarHBondContact NE-O 3.09Å; R246-K273 PolarHBondContact NH2-O 2.63Å; R246-V275 PolarHBondContact NH2-O 3.01Å |
| 247 | T | 94.8 | Very high | 96.9 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 70% | 0.699 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -101.9 | -28.4 | -174.3 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | W244 L245 | W244-T247 PolarHBondContact O-N 3.27Å; W244-T247 VanDerWaalsContact O-N 3.07Å; W244-T247 PolarHBondContact O-OG1 2.87Å; L245-T247 VanDerWaalsContact C-N 3.34Å |
| 248 | T | 94.4 | Very high | 97 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -74 | 144.4 | -179.2 | -168.1 | 0 | 0 | 0 | 0 | 112.9 | W244 L245 K250 I251 | W244-T248 HydrophobicContact CD2-CG2 4.17Å; W244-T248 HydrophobicContact CE3-CG2 3.96Å; W244-T248 HydrophobicContact CH2-CG2 3.82Å; W244-T248 HydrophobicContact CZ2-CG2 4.04Å; W244-T248 HydrophobicContact CZ3-CG2 3.78Å; W244-T248 WeakPolarHBondContact O-CB 3.41Å; W244-T248 WeakPolarHBondContact O-CG2 3.42Å; W244-T248 PolarHBondContact O-N 3.39Å; L245-T248 HydrophobicContact CD1-CG2 4.3Å; T248-K250 WeakPolarHBondContact OG1-CB 3.4Å; T248-K250 WeakPolarHBondContact OG1-CG 3.4Å; T248-K250 PolarHBondContact OG1-N 2.79Å; T248-I251 HydrophobicContact CG2-CG1 4.22Å | ||
| 249 | T | 94.6 | Very high | 97 | Very high | 118 Ų | 118 | 51 Ų | 51 | 72% | 0.724 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -103.3 | -2.7 | 168.7 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | I251 | T249-I251 VanDerWaalsContact C-N 3.35Å; T249-I251 PolarHBondContact O-N 2.81Å |
| 250 | K | 95.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -65.3 | -37 | -177.1 | -62.8 | -73.6 | 175.3 | 170.1 | 0 | 112.5 | L219 P220 E221 V225 T248 H252 | L219-K250 PolarHBondContact O-NZ 3.38Å; P220-K250 VanDerWaalsContact C-NZ 3.26Å; P220-K250 PolarHBondContact O-NZ 2.74Å; E221-K250 VanDerWaalsContact CA-NZ 3.34Å; E221-K250 VanDerWaalsContact CD-NZ 3.35Å; E221-K250 WeakPolarHBondContact OE1-CE 3.45Å; E221-K250 IonicContact OE1-NZ 3.82Å; E221-K250 PolarHBondContact OE1-NZ 3.36Å; E221-K250 IonicContact OE2-NZ 3.4Å; V225-K250 WeakPolarHBondContact CB-O 3.33Å; V225-K250 PolarHBondContact N-O 3.19Å; T248-K250 WeakPolarHBondContact OG1-CB 3.4Å; T248-K250 WeakPolarHBondContact OG1-CG 3.4Å; T248-K250 PolarHBondContact OG1-N 2.79Å; K250-H252 PolarHBondContact O-N 3.12Å |
| 251 | I | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 99.5 | -179.9 | -49.9 | -56.9 | 0 | 0 | 0 | 108.7 | L216 V225 M227 W244 L245 T248 T249 D253 A254 L257 | L216-I251 HydrophobicContact CD1-CD1 3.55Å; V225-I251 HydrophobicContact CB-CD1 3.86Å; V225-I251 HydrophobicContact CG1-CD1 3.81Å; V225-I251 WeakPolarHBondContact O-CA 3.22Å; M227-I251 HydrophobicContact CG-CD1 4.06Å; M227-I251 HydrophobicContact SD-CD1 3.76Å; W244-I251 HydrophobicContact CH2-CD1 4.23Å; W244-I251 HydrophobicContact CH2-CG1 4.06Å; W244-I251 HydrophobicContact CZ3-CD1 4.44Å; W244-I251 HydrophobicContact CZ3-CG1 4.02Å; L245-I251 HydrophobicContact CD1-CB 3.97Å; L245-I251 HydrophobicContact CD1-CG1 3.79Å; L245-I251 HydrophobicContact CD1-CG2 4.17Å; T248-I251 HydrophobicContact CG2-CG1 4.22Å; T249-I251 VanDerWaalsContact C-N 3.35Å; T249-I251 PolarHBondContact O-N 2.81Å; I251-D253 VanDerWaalsContact C-N 3.3Å; I251-D253 VanDerWaalsContact CG2-OD1 3.25Å; I251-D253 WeakPolarHBondContact CG2-OD1 3.48Å; I251-D253 PolarHBondContact O-N 3.33Å; I251-A254 HydrophobicContact CB-CB 4.13Å; I251-A254 HydrophobicContact CG2-CB 3.97Å; I251-A254 WeakPolarHBondContact O-CB 3.32Å; I251-A254 PolarHBondContact O-N 2.79Å; I251-L257 HydrophobicContact CG2-CD1 4Å |
| 252 | H | 96.9 | Very high | 97.1 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 52% | 0.523 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.6 | -173.2 | 74 | -86.6 | 0 | 0 | 0 | 113.3 | A224 V225 S226 K250 | A224-H252 HydrophobicContact CB-CB 4.36Å; V225-H252 VanDerWaalsContact C-ND1 3.29Å; V225-H252 PolarHBondContact O-N 2.78Å; V225-H252 PolarHBondContact O-ND1 3.27Å; S226-H252 WeakPolarHBondContact CB-CE1 3.48Å; K250-H252 PolarHBondContact O-N 3.12Å |
| 253 | D | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 20.1 | 178.4 | 60.7 | 1.8 | 0 | 0 | 0 | 112.6 | S226 M227 Y228 I251 D255 L256 | S226-D253 VanDerWaalsContact CA-OD2 3.32Å; S226-D253 WeakPolarHBondContact CA-OD2 3.39Å; S226-D253 WeakPolarHBondContact CB-OD2 3.47Å; S226-D253 PolarHBondContact OG-OD2 2.77Å; M227-D253 PolarHBondContact N-OD1 2.96Å; M227-D253 VanDerWaalsContact N-OD1 3.11Å; M227-D253 PolarHBondContact N-OD2 2.78Å; Y228-D253 VanDerWaalsContact CB-OD2 3.23Å; Y228-D253 WeakPolarHBondContact CB-OD2 3.19Å; Y228-D253 PolarHBondContact N-OD2 3.02Å; I251-D253 VanDerWaalsContact C-N 3.3Å; I251-D253 VanDerWaalsContact CG2-OD1 3.25Å; I251-D253 WeakPolarHBondContact CG2-OD1 3.48Å; I251-D253 PolarHBondContact O-N 3.33Å; D253-D255 PolarHBondContact O-N 2.73Å; D253-D255 VanDerWaalsContact O-N 3.08Å; D253-L256 HydrophobicContact CB-CD1 4.33Å; D253-L256 WeakPolarHBondContact O-CB 3.41Å; D253-L256 PolarHBondContact O-N 3.21Å |
| 254 | A | 97.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -53.4 | -35 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L245 I251 L256 L257 K273 | L245-A254 HydrophobicContact CD1-CB 3.94Å; L245-A254 HydrophobicContact CG-CB 4.29Å; I251-A254 HydrophobicContact CB-CB 4.13Å; I251-A254 HydrophobicContact CG2-CB 3.97Å; I251-A254 WeakPolarHBondContact O-CB 3.32Å; I251-A254 PolarHBondContact O-N 2.79Å; A254-L256 PolarHBondContact O-N 3.29Å; A254-L257 PolarHBondContact O-N 3.24Å; A254-K273 HydrophobicContact CB-CD 4.33Å |
| 255 | D | 96.7 | Very high | 97 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 60% | 0.599 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -71.2 | -18.3 | -179.2 | -61.5 | -27.7 | 0 | 0 | 0 | 112.8 | D253 K273 | D253-D255 PolarHBondContact O-N 2.73Å; D253-D255 VanDerWaalsContact O-N 3.08Å; D255-K273 WeakPolarHBondContact OD1-CD 3.44Å; D255-K273 WeakPolarHBondContact OD1-CE 3.42Å; D255-K273 IonicContact OD1-NZ 3.86Å; D255-K273 PolarHBondContact OD1-NZ 2.85Å |
| 256 | L | 97.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -91.6 | -9.7 | 178.5 | -57.2 | -179.6 | 0 | 0 | 0 | 113.2 | Y228 D253 A254 | Y228-L256 HydrophobicContact CD2-CB 3.79Å; Y228-L256 HydrophobicContact CD2-CD1 4.29Å; Y228-L256 HydrophobicContact CE2-CB 4.03Å; Y228-L256 HydrophobicContact CE2-CD1 4.45Å; D253-L256 HydrophobicContact CB-CD1 4.33Å; D253-L256 WeakPolarHBondContact O-CB 3.41Å; D253-L256 PolarHBondContact O-N 3.21Å; A254-L256 PolarHBondContact O-N 3.29Å |
| 257 | L | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -75.3 | 136 | -178.9 | -52 | -172 | 0 | 0 | 0 | 110.9 | M208 M227 F232 L245 I251 A254 S271 L272 | M208-L257 HydrophobicContact CE-CD1 3.74Å; M227-L257 HydrophobicContact CB-CD1 4.22Å; M227-L257 HydrophobicContact CB-CD2 4.14Å; M227-L257 WeakPolarHBondContact O-CD2 3.25Å; F232-L257 HydrophobicContact CD2-CB 4.43Å; F232-L257 HydrophobicContact CE2-CB 4.3Å; F232-L257 HydrophobicContact CE2-CD1 3.89Å; F232-L257 HydrophobicContact CE2-CD2 4.07Å; F232-L257 HydrophobicContact CE2-CG 4.3Å; F232-L257 HydrophobicContact CZ-CD1 4.22Å; L245-L257 HydrophobicContact CD1-CD1 4.24Å; L245-L257 HydrophobicContact CD2-CD1 4.11Å; I251-L257 HydrophobicContact CG2-CD1 4Å; A254-L257 PolarHBondContact O-N 3.24Å; L257-S271 WeakPolarHBondContact O-CA 3.38Å; L257-L272 HydrophobicContact CB-CB 4.31Å; L257-L272 HydrophobicContact CB-CD1 4.32Å; L257-L272 HydrophobicContact CB-CD2 3.98Å; L257-L272 HydrophobicContact CB-CG 4.44Å; L257-L272 HydrophobicContact CD1-CD2 4.38Å; L257-L272 PolarHBondContact O-N 3.22Å | ||
| 258 | K | 98.5 | Very high | 97 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 152.9 | -175.5 | -63.3 | -178.3 | -179.9 | -175.5 | 0 | 113.1 | Y260 E270 L272 | K258-Y260 HydrophobicContact CB-CE2 4.37Å; K258-Y260 WeakPolarHBondContact O-CD2 3.42Å; K258-Y260 PolarHBondContact O-N 2.94Å; K258-E270 CarbonylContact C-O 3.28Å; K258-E270 VanDerWaalsContact CA-O 3.24Å; K258-E270 WeakPolarHBondContact CA-O 3.5Å; K258-L272 VanDerWaalsContact CA-CD1 3.45Å; K258-L272 VanDerWaalsContact O-CD1 3.3Å; K258-L272 WeakPolarHBondContact O-CD1 3.48Å |
| 259 | C | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -72.6 | 104.3 | 171.2 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | F232 C234 S261 A262 L267 L269 E270 L272 V275 | F232-C259 CarbonylContact O-C 3.46Å; C234-C259 HydrophobicContact CB-CB 3.71Å; C234-C259 WeakPolarHBondContact CB-SG 3.44Å; C234-C259 WeakPolarHBondContact SG-CB 3.25Å; C234-C259 CovalentContact SG-SG 2.03Å; C234-C259 PolarHBondContact SG-SG 3.29Å; C259-S261 VanDerWaalsContact C-N 3.3Å; C259-A262 HydrophobicContact CB-CB 4.28Å; C259-L267 WeakPolarHBondContact CB-O 3.47Å; C259-L269 WeakPolarHBondContact O-CA 3.05Å; C259-L269 PolarHBondContact O-N 3.45Å; C259-E270 PolarHBondContact N-O 2.86Å; C259-L272 VanDerWaalsContact N-CD1 3.3Å; C259-V275 WeakPolarHBondContact SG-CG2 3.14Å | ||
| 260 | Y | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -80.6 | -16.5 | 175.7 | -84.3 | -95.1 | 0 | 0 | 0 | 113 | N230 F232 K258 L268 | N230-Y260 VanDerWaalsContact O-CD2 3.23Å; N230-Y260 WeakPolarHBondContact O-CD2 3.42Å; N230-Y260 WeakPolarHBondContact O-CE2 3.25Å; F232-Y260 PolarHBondContact O-N 3.46Å; K258-Y260 HydrophobicContact CB-CE2 4.37Å; K258-Y260 WeakPolarHBondContact O-CD2 3.42Å; K258-Y260 PolarHBondContact O-N 2.94Å; Y260-L268 VanDerWaalsContact O-CD1 3.22Å; Y260-L268 WeakPolarHBondContact O-CD1 3.49Å |
| 261 | S | 97.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 56 Ų | 56 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147.5 | 166.3 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | F232 H233 C234 C259 | F232-S261 PolarHBondContact O-N 3Å; H233-S261 CarbonylContact C-O 3.59Å; H233-S261 WeakPolarHBondContact CA-O 3.31Å; H233-S261 WeakPolarHBondContact ND1-CB 3.47Å; H233-S261 PolarHBondContact ND1-O 3.25Å; H233-S261 PolarHBondContact ND1-OG 3.32Å; C234-S261 PolarHBondContact N-O 3Å; C259-S261 VanDerWaalsContact C-N 3.3Å |
| 262 | A | 97.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 152 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C234 C259 P264 G265 L267 | C234-A262 HydrophobicContact CB-CB 4.06Å; C234-A262 CarbonylContact O-C 3.48Å; C234-A262 WeakPolarHBondContact O-CA 3.21Å; C234-A262 WeakPolarHBondContact O-CB 3.46Å; C259-A262 HydrophobicContact CB-CB 4.28Å; A262-P264 CarbonylContact O-C 3.48Å; A262-G265 WeakPolarHBondContact O-CA 3.23Å; A262-G265 PolarHBondContact O-N 3.47Å; A262-L267 HydrophobicContact CB-CB 3.71Å |
| 263 | S | 97.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -128.7 | 111.9 | 170.8 | -71.4 | 0 | 0 | 0 | 0 | 108.8 | C234 T281 | C234-S263 PolarHBondContact O-N 3.3Å; S263-T281 WeakPolarHBondContact CB-O 3.48Å; S263-T281 PolarHBondContact O-N 3.24Å |
| 264 | P | 96.5 | Very high | 97.4 | Very high | 34 Ų | 34 | 60 Ų | 60 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | S | Bend | cis | -72.5 | 152.2 | 2.6 | 30.3 | -36.9 | 0 | 0 | 0 | 113.6 | A262 R266 L267 Q279 | A262-P264 CarbonylContact O-C 3.48Å; P264-R266 HydrophobicContact CB-CG 4.18Å; P264-R266 HydrophobicContact CG-CG 3.93Å; P264-R266 PolarHBondContact O-N 2.8Å; P264-L267 HydrophobicContact CG-CD1 4.24Å; P264-L267 HydrophobicContact CG-CG 4.33Å; P264-L267 PolarHBondContact O-N 3.08Å; P264-Q279 WeakPolarHBondContact CD-O 3.36Å |
| 265 | G | 95.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -59.4 | -15.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | A262 L267 L268 | A262-G265 WeakPolarHBondContact O-CA 3.23Å; A262-G265 PolarHBondContact O-N 3.47Å; G265-L267 PolarHBondContact O-N 3Å; G265-L268 WeakPolarHBondContact O-CB 3.13Å; G265-L268 PolarHBondContact O-N 3.21Å |
| 266 | R | 96.3 | Very high | 97.4 | Very high | 163 Ų | 163 | 56 Ų | 56 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -66.4 | -15.5 | 172.7 | 67.3 | 179.9 | 174.4 | 85.6 | -0.6 | 114.2 | P264 L268 | P264-R266 HydrophobicContact CB-CG 4.18Å; P264-R266 HydrophobicContact CG-CG 3.93Å; P264-R266 PolarHBondContact O-N 2.8Å; R266-L268 VanDerWaalsContact C-N 3.26Å |
| 267 | L | 96.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -86.8 | 5 | 175.4 | -62.1 | 175.9 | 0 | 0 | 0 | 112.4 | C259 A262 P264 G265 L269 E270 V275 P276 L280 | C259-L267 WeakPolarHBondContact CB-O 3.47Å; A262-L267 HydrophobicContact CB-CB 3.71Å; P264-L267 HydrophobicContact CG-CD1 4.24Å; P264-L267 HydrophobicContact CG-CG 4.33Å; P264-L267 PolarHBondContact O-N 3.08Å; G265-L267 PolarHBondContact O-N 3Å; L267-L269 PolarHBondContact O-N 3.29Å; L267-E270 WeakPolarHBondContact O-CB 3.4Å; L267-E270 PolarHBondContact O-N 3.06Å; L267-E270 VanDerWaalsContact O-N 3.17Å; L267-V275 HydrophobicContact CD1-CG1 4.3Å; L267-P276 HydrophobicContact CD2-CG 4.05Å; L267-L280 HydrophobicContact CD1-CD2 3.83Å |
| 268 | L | 97.3 | Very high | 97.2 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 133 | 176.3 | -177.7 | 64.6 | 0 | 0 | 0 | 110.8 | Y260 G265 R266 E270 | Y260-L268 VanDerWaalsContact O-CD1 3.22Å; Y260-L268 WeakPolarHBondContact O-CD1 3.49Å; G265-L268 WeakPolarHBondContact O-CB 3.13Å; G265-L268 PolarHBondContact O-N 3.21Å; R266-L268 VanDerWaalsContact C-N 3.26Å; L268-E270 PolarHBondContact O-N 2.92Å |
| 269 | L | 97.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 7.4 | -175.1 | -57.7 | 175.5 | 0 | 0 | 0 | 115.9 | C259 L267 | C259-L269 WeakPolarHBondContact O-CA 3.05Å; C259-L269 PolarHBondContact O-N 3.45Å; L267-L269 PolarHBondContact O-N 3.29Å |
| 270 | E | 97.7 | Very high | 97 | Very high | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | trans | -63 | 145.9 | 172.8 | -169.6 | 53.9 | -112 | 0 | 0 | 110.5 | K258 C259 L267 L268 L272 V275 | K258-E270 CarbonylContact C-O 3.28Å; K258-E270 VanDerWaalsContact CA-O 3.24Å; K258-E270 WeakPolarHBondContact CA-O 3.5Å; C259-E270 PolarHBondContact N-O 2.86Å; L267-E270 WeakPolarHBondContact O-CB 3.4Å; L267-E270 PolarHBondContact O-N 3.06Å; L267-E270 VanDerWaalsContact O-N 3.17Å; L268-E270 PolarHBondContact O-N 2.92Å; E270-L272 PolarHBondContact O-N 3.39Å; E270-V275 HydrophobicContact CB-CG2 4.43Å; E270-V275 HydrophobicContact CG-CG2 4.2Å | ||
| 271 | S | 97.7 | Very high | 97 | Very high | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 130.4 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 109.5 | L257 K273 K274 V275 | L257-S271 WeakPolarHBondContact O-CA 3.38Å; S271-K273 PolarHBondContact O-N 2.89Å; S271-K273 VanDerWaalsContact O-N 3.13Å; S271-K274 WeakPolarHBondContact O-CA 3.46Å; S271-K274 PolarHBondContact O-N 3Å; S271-V275 PolarHBondContact O-N 3.48Å |
| 272 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -52.7 | -40.7 | -178.3 | -95.9 | 60.8 | 0 | 0 | 0 | 111.7 | F232 Y241 L242 L245 L257 K258 C259 E270 K274 V275 | F232-L272 HydrophobicContact CB-CD1 4.04Å; F232-L272 HydrophobicContact CB-CD2 3.99Å; F232-L272 HydrophobicContact CD1-CD2 4.16Å; F232-L272 HydrophobicContact CD2-CD1 4.49Å; F232-L272 HydrophobicContact CD2-CD2 3.84Å; F232-L272 HydrophobicContact CE2-CD2 4.34Å; F232-L272 HydrophobicContact CG-CD1 4.49Å; F232-L272 HydrophobicContact CG-CD2 3.73Å; Y241-L272 HydrophobicContact CE2-CD2 3.81Å; Y241-L272 HydrophobicContact CE2-CG 4.37Å; L242-L272 HydrophobicContact CD2-CB 3.85Å; L242-L272 HydrophobicContact CD2-CD2 4.39Å; L242-L272 HydrophobicContact CD2-CG 3.72Å; L242-L272 WeakPolarHBondContact CD2-O 3.41Å; L245-L272 HydrophobicContact CD2-CB 3.55Å; L245-L272 HydrophobicContact CD2-CD2 3.85Å; L245-L272 HydrophobicContact CD2-CG 4.33Å; L257-L272 HydrophobicContact CB-CB 4.31Å; L257-L272 HydrophobicContact CB-CD1 4.32Å; L257-L272 HydrophobicContact CB-CD2 3.98Å; L257-L272 HydrophobicContact CB-CG 4.44Å; L257-L272 HydrophobicContact CD1-CD2 4.38Å; L257-L272 PolarHBondContact O-N 3.22Å; K258-L272 VanDerWaalsContact CA-CD1 3.45Å; K258-L272 VanDerWaalsContact O-CD1 3.3Å; K258-L272 WeakPolarHBondContact O-CD1 3.48Å; C259-L272 VanDerWaalsContact N-CD1 3.3Å; E270-L272 PolarHBondContact O-N 3.39Å; L272-K274 PolarHBondContact O-N 2.97Å; L272-V275 PolarHBondContact O-N 2.91Å |
| 273 | K | 97 | Very high | 96.2 | Very high | 63 Ų | 63 | 60 Ų | 60 | 27% | 0.274 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -63.2 | -29.2 | 176.8 | -85.8 | 179.3 | 162 | -178.4 | 0 | 113.6 | L245 R246 A254 D255 S271 | L245-K273 HydrophobicContact CD2-CG 4.49Å; L245-K273 HydrophobicContact CG-CG 4.49Å; R246-K273 HydrophobicContact CG-CG 4.36Å; R246-K273 PolarHBondContact NE-O 3.09Å; R246-K273 PolarHBondContact NH2-O 2.63Å; A254-K273 HydrophobicContact CB-CD 4.33Å; D255-K273 WeakPolarHBondContact OD1-CD 3.44Å; D255-K273 WeakPolarHBondContact OD1-CE 3.42Å; D255-K273 IonicContact OD1-NZ 3.86Å; D255-K273 PolarHBondContact OD1-NZ 2.85Å; S271-K273 PolarHBondContact O-N 2.89Å; S271-K273 VanDerWaalsContact O-N 3.13Å |
| 274 | K | 96.6 | Very high | 94.7 | Very high | 153 Ų | 153 | 67.5 Ų | 67.5 | 67% | 0.665 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -95.3 | -3.9 | -174.7 | -61.8 | -173.8 | -178.9 | 179.4 | 0 | 114.3 | S271 L272 P276 | S271-K274 WeakPolarHBondContact O-CA 3.46Å; S271-K274 PolarHBondContact O-N 3Å; L272-K274 PolarHBondContact O-N 2.97Å; K274-P276 WeakPolarHBondContact O-CD 3.18Å |
| 275 | V | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -60.5 | 119.3 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L242 R246 C259 L267 E270 S271 L272 I277 L280 | L242-V275 HydrophobicContact CD1-CB 4.16Å; L242-V275 HydrophobicContact CD1-CG1 3.87Å; L242-V275 HydrophobicContact CD2-CG2 4.45Å; R246-V275 PolarHBondContact NH2-O 3.01Å; C259-V275 WeakPolarHBondContact SG-CG2 3.14Å; L267-V275 HydrophobicContact CD1-CG1 4.3Å; E270-V275 HydrophobicContact CB-CG2 4.43Å; E270-V275 HydrophobicContact CG-CG2 4.2Å; S271-V275 PolarHBondContact O-N 3.48Å; L272-V275 PolarHBondContact O-N 2.91Å; V275-I277 PolarHBondContact O-N 2.79Å; V275-I277 VanDerWaalsContact O-N 3.09Å; V275-L280 HydrophobicContact CG1-CD1 4.14Å; V275-L280 HydrophobicContact CG1-CD2 3.75Å; V275-L280 HydrophobicContact CG1-CG 4.05Å | ||
| 276 | P | 97.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | trans | -68.1 | 106.7 | 172 | 25.3 | -30.6 | 0 | 0 | 0 | 110.3 | L267 K274 E278 Q279 | L267-P276 HydrophobicContact CD2-CG 4.05Å; K274-P276 WeakPolarHBondContact O-CD 3.18Å; P276-E278 VanDerWaalsContact C-N 3.3Å; P276-E278 VanDerWaalsContact CB-OE1 3.24Å; P276-E278 WeakPolarHBondContact CB-OE1 3.44Å; P276-E278 PolarHBondContact O-N 3.39Å; P276-Q279 HydrophobicContact CB-CB 4.2Å; P276-Q279 VanDerWaalsContact CB-CD 3.47Å; P276-Q279 HydrophobicContact CB-CG 3.89Å; P276-Q279 HydrophobicContact CG-CB 4.04Å; P276-Q279 HydrophobicContact CG-CG 4.03Å; P276-Q279 VanDerWaalsContact CG-OE1 3.27Å; P276-Q279 WeakPolarHBondContact O-CB 3.24Å; P276-Q279 PolarHBondContact O-N 3.37Å; P276-Q279 VanDerWaalsContact O-N 3.08Å | ||
| 277 | I | 96.3 | Very high | 87.7 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -65 | -36.2 | -169.1 | -68.1 | -175.7 | 0 | 0 | 0 | 111.4 | L242 E243 V275 Q279 L280 | L242-I277 HydrophobicContact CB-CD1 4.07Å; L242-I277 HydrophobicContact CB-CG1 4.42Å; E243-I277 HydrophobicContact CG-CD1 3.43Å; E243-I277 VanDerWaalsContact CG-CD1 3.43Å; V275-I277 PolarHBondContact O-N 2.79Å; V275-I277 VanDerWaalsContact O-N 3.09Å; I277-Q279 PolarHBondContact O-N 3.4Å; I277-Q279 VanDerWaalsContact O-N 3.16Å; I277-L280 HydrophobicContact CB-CD1 4.36Å; I277-L280 HydrophobicContact CG1-CD1 4.43Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 WeakPolarHBondContact O-CB 3.45Å; I277-L280 PolarHBondContact O-N 3.35Å |
| 278 | E | 96.2 | Very high | 84.9 | Confident | 150 Ų | 150 | 77 Ų | 77 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -65.1 | -15.3 | 177.7 | 71.9 | -69.5 | 165.9 | 0 | 0 | 113.7 | P276 | P276-E278 VanDerWaalsContact C-N 3.3Å; P276-E278 VanDerWaalsContact CB-OE1 3.24Å; P276-E278 WeakPolarHBondContact CB-OE1 3.44Å; P276-E278 PolarHBondContact O-N 3.39Å |
| 279 | Q | 95.5 | Very high | 82.1 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -98.1 | -3.8 | -179.5 | -61.2 | 176.6 | 27.6 | 0 | 0 | 113.1 | P264 P276 I277 | P264-Q279 WeakPolarHBondContact CD-O 3.36Å; P276-Q279 HydrophobicContact CB-CB 4.2Å; P276-Q279 VanDerWaalsContact CB-CD 3.47Å; P276-Q279 HydrophobicContact CB-CG 3.89Å; P276-Q279 HydrophobicContact CG-CB 4.04Å; P276-Q279 HydrophobicContact CG-CG 4.03Å; P276-Q279 VanDerWaalsContact CG-OE1 3.27Å; P276-Q279 WeakPolarHBondContact O-CB 3.24Å; P276-Q279 PolarHBondContact O-N 3.37Å; P276-Q279 VanDerWaalsContact O-N 3.08Å; I277-Q279 PolarHBondContact O-N 3.4Å; I277-Q279 VanDerWaalsContact O-N 3.16Å |
| 280 | L | 97.4 | Very high | 79.3 | Confident | 18 Ų | 18 | 82.9 Ų | 82.9 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | trans | -70.4 | 133.8 | 178.6 | -69.5 | 168.1 | 0 | 0 | 0 | 110.6 | C234 D235 L242 L267 V275 I277 | C234-L280 HydrophobicContact CB-CD2 4.24Å; D235-L280 WeakPolarHBondContact O-CD1 3.15Å; L242-L280 HydrophobicContact CD1-CD1 3.63Å; L267-L280 HydrophobicContact CD1-CD2 3.83Å; V275-L280 HydrophobicContact CG1-CD1 4.14Å; V275-L280 HydrophobicContact CG1-CD2 3.75Å; V275-L280 HydrophobicContact CG1-CG 4.05Å; I277-L280 HydrophobicContact CB-CD1 4.36Å; I277-L280 HydrophobicContact CG1-CD1 4.43Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 WeakPolarHBondContact O-CB 3.45Å; I277-L280 PolarHBondContact O-N 3.35Å | ||
| 281 | T | 96.4 | Very high | 76.6 | Confident | 45 Ų | 45 | 85.2 Ų | 85.2 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | trans | -128.3 | 161.5 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | D235 C236 S263 | D235-T281 WeakPolarHBondContact CB-O 3.47Å; C236-T281 PolarHBondContact N-O 2.8Å; C236-T281 VanDerWaalsContact N-O 3.1Å; S263-T281 WeakPolarHBondContact CB-O 3.48Å; S263-T281 PolarHBondContact O-N 3.24Å | ||
| 282 | C | 93.8 | Very high | 73.7 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 31% | 0.311 | 48% | 0.475 | S | S | . | . | trans | -110.5 | 8.5 | 170.1 | -77.7 | 0 | 0 | 0 | 0 | 112.1 | C236 Q284 | C236-C282 HydrophobicContact CB-CB 4.01Å; C236-C282 WeakPolarHBondContact CB-SG 3.42Å; C236-C282 PolarHBondContact N-SG 3.08Å; C236-C282 WeakPolarHBondContact SG-CB 3.47Å; C236-C282 CovalentContact SG-SG 2.02Å; C236-C282 PolarHBondContact SG-SG 2.79Å; C282-Q284 PolarHBondContact O-N 2.66Å; C282-Q284 VanDerWaalsContact O-N 3.14Å | ||
| 283 | D | 84.8 | Confident | 70.9 | Confident | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | trans | -64.6 | 119.6 | -179 | -65.6 | -26.6 | 0 | 0 | 0 | 108.8 | T285 | D283-T285 HydrophobicContact CB-CG2 4.25Å; D283-T285 PolarHBondContact O-N 2.77Å | ||
| 284 | Q | 65.7 | Low | 68.6 | Low | 179 Ų | 179 | 95.3 Ų | 95.3 | 84% | 0.836 | 53% | 0.532 | S | S | * | . | trans | -72 | 41 | 167.6 | -62.5 | -76.2 | -14.5 | 0 | 0 | 109.9 | C282 S286 | C282-Q284 PolarHBondContact O-N 2.66Å; C282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-S286 PolarHBondContact O-N 3.07Å | ||
| 285 | T | 52.7 | Low | 66.4 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | trans | -74.1 | 75 | 167.2 | 49.8 | 0 | 0 | 0 | 0 | 106.8 | D283 N287 | D283-T285 HydrophobicContact CB-CG2 4.25Å; D283-T285 PolarHBondContact O-N 2.77Å; T285-N287 PolarHBondContact O-N 3.45Å | ||
| 286 | S | 47.7 | Very low | 64.1 | Low | 88 Ų | 88 | 95.1 Ų | 95.1 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | trans | -33.5 | 129.1 | 148.2 | 47.9 | 0 | 0 | 0 | 0 | 107.8 | Q284 V288 | Q284-S286 PolarHBondContact O-N 3.07Å; S286-V288 PolarHBondContact O-N 3.03Å | ||
| 287 | N | 40.3 | Very low | 61.9 | Low | 148 Ų | 148 | 96.5 Ų | 96.5 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | trans | -57.9 | 71.1 | 155.7 | -79.4 | -30.2 | 0 | 0 | 0 | 107.9 | T285 S289 | T285-N287 PolarHBondContact O-N 3.45Å; N287-S289 PolarHBondContact O-N 2.7Å | ||
| 288 | V | 39.4 | Very low | 60 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 62% | 0.624 | 59% | 0.585 | S | S | * | * | trans | -73.8 | 72.1 | 142.4 | -172.6 | 0 | 0 | 0 | 0 | 104 | S286 R290 | S286-V288 PolarHBondContact O-N 3.03Å; V288-R290 HydrophobicContact CG1-CG 4Å; V288-R290 PolarHBondContact O-N 2.98Å | ||
| 289 | S | 37.8 | Very low | 58.3 | Low | 81 Ų | 81 | 96.9 Ų | 96.9 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | trans | -50.6 | 97.1 | 146.4 | -3.7 | 0 | 0 | 0 | 0 | 104.6 | N287 T291 | N287-S289 PolarHBondContact O-N 2.7Å; S289-T291 PolarHBondContact O-N 3.44Å | ||
| 290 | R | 38.1 | Very low | 56.7 | Low | 233 Ų | 233 | 100.6 Ų | 100.6 | 88% | 0.879 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -65.2 | 69.5 | 163.4 | -70.6 | -179.2 | -175.7 | 166.3 | 1.1 | 107.2 | V288 | V288-R290 HydrophobicContact CG1-CG 4Å; V288-R290 PolarHBondContact O-N 2.98Å |
| 291 | T | 41.4 | Very low | 55.2 | Low | 122 Ų | 122 | 105 Ų | 105 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | trans | -150.5 | 50 | 168.5 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | S289 | S289-T291 PolarHBondContact O-N 3.44Š| ||
| 292 | A | 36.7 | Very low | 53.9 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | trans | -115.5 | 76.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | S294 | A292-S294 PolarHBondContact O-N 2.64Š| ||
| 293 | S | 40.9 | Very low | 52.9 | Low | 97 Ų | 97 | 110 Ų | 110 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -43.8 | 134.8 | 158.7 | 45.3 | 0 | 0 | 0 | 0 | 109 | A295 | S293-A295 PolarHBondContact O-N 3.05Š| ||
| 294 | S | 48.7 | Very low | 52.3 | Low | 111 Ų | 111 | 110 Ų | 110 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 28.9 | -173.1 | 46 | 0 | 0 | 0 | 0 | 117.4 | A292 | A292-S294 PolarHBondContact O-N 2.64Š|
| 295 | A | 49.5 | Very low | 52.6 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -21.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S293 | S293-A295 PolarHBondContact O-N 3.05Š|
| 296 | S | 49.7 | Very low | 53.5 | Low | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -84 | -25.6 | -178.4 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | S298 L299 F300 | S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.93Å; S296-L299 PolarHBondContact O-N 2.97Å; S296-F300 PolarHBondContact O-N 2.86Å |
| 297 | A | 50.9 | Low | 54.5 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 49% | 0.488 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.8 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L299 I301 | A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 3.34Å; A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 3.16Å |
| 298 | S | 57 | Low | 55.5 | Low | 72 Ų | 72 | 105.9 Ų | 105.9 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.5 | -34.4 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | S296 L302 | S296-S298 VanDerWaalsContact C-N 3.31Å; S296-S298 PolarHBondContact O-N 2.93Å; S298-L302 WeakPolarHBondContact O-CB 3.06Å; S298-L302 WeakPolarHBondContact O-CD1 3.2Å; S298-L302 PolarHBondContact O-N 2.93Å |
| 299 | L | 59.7 | Low | 56.6 | Low | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.2 | -37.6 | -178.8 | -150.1 | 79 | 0 | 0 | 0 | 112.5 | S296 A297 L302 L303 | S296-L299 PolarHBondContact O-N 2.97Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 3.34Å; L299-L302 PolarHBondContact O-N 3Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.07Å |
| 300 | F | 62.1 | Low | 57.4 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -39.1 | 177.5 | -102.8 | -82.6 | 0 | 0 | 0 | 112.8 | S296 L303 L304 | S296-F300 PolarHBondContact O-N 2.86Å; F300-L303 PolarHBondContact O-N 3.24Å; F300-L304 PolarHBondContact O-N 3.08Å |
| 301 | I | 65.7 | Low | 58.1 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.4 | -39.7 | 176.2 | -63.8 | 168.9 | 0 | 0 | 0 | 110.3 | A297 L303 L304 C305 | A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 3.16Å; I301-L303 PolarHBondContact O-N 3.33Å; I301-L304 PolarHBondContact O-N 2.95Å; I301-C305 PolarHBondContact O-N 3.36Å; I301-C305 PolarHBondContact O-SG 3.19Å; I301-C305 VanDerWaalsContact O-SG 3.37Å |
| 302 | L | 69.5 | Low | 58.5 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.9 | -41.7 | 174.9 | -101 | 147.4 | 0 | 0 | 0 | 112.7 | S298 L299 C305 L306 | S298-L302 WeakPolarHBondContact O-CB 3.06Å; S298-L302 WeakPolarHBondContact O-CD1 3.2Å; S298-L302 PolarHBondContact O-N 2.93Å; L299-L302 PolarHBondContact O-N 3Å; L302-C305 PolarHBondContact O-N 3.25Å; L302-L306 WeakPolarHBondContact O-CG 3.11Å; L302-L306 PolarHBondContact O-N 2.9Å; L302-L306 VanDerWaalsContact O-N 3.07Å |
| 303 | L | 73 | Confident | 59 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.9 | -39.2 | 177.8 | -75.4 | 164.3 | 0 | 0 | 0 | 112.5 | L299 F300 I301 L306 F307 | L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.07Å; F300-L303 PolarHBondContact O-N 3.24Å; I301-L303 PolarHBondContact O-N 3.33Å; L303-L306 PolarHBondContact O-N 3.21Å; L303-F307 PolarHBondContact O-N 2.8Å |
| 304 | L | 71.8 | Confident | 59.2 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 175 | -93.4 | 149.2 | 0 | 0 | 0 | 112.4 | F300 I301 L306 F307 L308 | F300-L304 PolarHBondContact O-N 3.08Å; I301-L304 PolarHBondContact O-N 2.95Å; L304-L306 PolarHBondContact O-N 2.94Å; L304-F307 PolarHBondContact O-N 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.03Å; L304-L308 PolarHBondContact O-N 2.93Å |
| 305 | C | 72.5 | Confident | 58.9 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 51% | 0.514 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.2 | -35.4 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | I301 L302 S309 | I301-C305 PolarHBondContact O-N 3.36Å; I301-C305 PolarHBondContact O-SG 3.19Å; I301-C305 VanDerWaalsContact O-SG 3.37Å; L302-C305 PolarHBondContact O-N 3.25Å; C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.28Å; C305-S309 PolarHBondContact O-OG 3.31Å |
| 306 | L | 71.9 | Confident | 58.4 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.3 | -33.8 | 174.7 | -72.3 | 170 | 0 | 0 | 0 | 112.4 | L302 L303 L304 S309 R310 | L302-L306 WeakPolarHBondContact O-CG 3.11Å; L302-L306 PolarHBondContact O-N 2.9Å; L302-L306 VanDerWaalsContact O-N 3.07Å; L303-L306 PolarHBondContact O-N 3.21Å; L304-L306 PolarHBondContact O-N 2.94Å; L306-S309 PolarHBondContact O-OG 3.1Å; L306-R310 PolarHBondContact O-N 3.47Å |
| 307 | F | 67 | Low | 58.3 | Low | 141 Ų | 141 | 129.3 Ų | 129.3 | 62% | 0.618 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.2 | -42.6 | 174.1 | -101.9 | -87.6 | 0 | 0 | 0 | 112.5 | L303 L304 R310 F311 | L303-F307 PolarHBondContact O-N 2.8Å; L304-F307 PolarHBondContact O-N 3.24Å; F307-R310 PolarHBondContact O-N 2.93Å; F307-F311 PolarHBondContact O-N 3.01Å |
| 308 | L | 62.9 | Low | 58.7 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.7 | -34.2 | -179.5 | -69 | 169.7 | 0 | 0 | 0 | 112.8 | L304 F311 S312 | L304-L308 WeakPolarHBondContact O-CG 3.03Å; L304-L308 PolarHBondContact O-N 2.93Å; L308-F311 PolarHBondContact O-N 2.02Å; L308-S312 PolarHBondContact O-N 2.83Å |
| 309 | S | 62.3 | Low | 58.7 | Low | 65 Ų | 65 | 136 Ų | 136 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -71.8 | -27.9 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | C305 L306 | C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.28Å; C305-S309 PolarHBondContact O-OG 3.31Å; L306-S309 PolarHBondContact O-OG 3.1Å |
| 310 | R | 54 | Low | 58.7 | Low | 211 Ų | 211 | 137.2 Ų | 137.2 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.7 | -29.3 | 173.2 | -79.4 | -166.5 | 177.8 | -150.8 | 0.9 | 113.7 | L306 F307 | L306-R310 PolarHBondContact O-N 3.47Å; F307-R310 PolarHBondContact O-N 2.93Å |
| 311 | F | 52.6 | Low | 58.5 | Low | 169 Ų | 169 | 136.6 Ų | 136.6 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81 | -22.3 | 178.6 | -94.2 | -90.9 | 0 | 0 | 0 | 113.7 | F307 L308 W313 | F307-F311 PolarHBondContact O-N 3.01Å; L308-F311 PolarHBondContact O-N 2.02Å; F311-W313 VanDerWaalsContact C-N 3.33Å; F311-W313 PolarHBondContact O-N 3.14Å |
| 312 | S | 50.8 | Low | 58 | Low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -8.2 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 115.1 | L308 | L308-S312 PolarHBondContact O-N 2.83Š|
| 313 | W | 46.7 | Very low | 57.3 | Low | 234 Ų | 234 | 140.4 Ų | 140.4 | 89% | 0.886 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 8.5 | -173.7 | -85.9 | 53.3 | 0 | 0 | 0 | 114.7 | F311 | F311-W313 VanDerWaalsContact C-N 3.33Å; F311-W313 PolarHBondContact O-N 3.14Å |
| 314 | S | 44.1 | Very low | 56.2 | Low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -105.2 | 9.8 | -179.5 | 154.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 315 | E | 42.3 | Very low | 55 | Low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -125.4 | 24.1 | 176.8 | -74.3 | -171.8 | 161.9 | 0 | 0 | 114.7 | ||
| 316 | R | 40.3 | Very low | 53.5 | Low | 243 Ų | 243 | 153.1 Ų | 153.1 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -138 | 74.3 | 168.6 | -72.2 | -171.2 | -175.7 | -173.1 | 1.6 | 112.4 | ||||
| 317 | A | 47 | Very low | 51.8 | Low | 173 Ų | 173 | 157.7 Ų | 157.7 | 100% | 1.43 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 0 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 317 of 317 residues in 681.9 ms
(Link to these results)