| 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 | 43.2 | Very low | 61.9 | Low | 132 Ų | 132 | 83.6 Ų | 83.6 | 65% | 0.65 | 43% | 0.434 | S | S | * | . | 0 | 111.7 | 0 | -71.4 | 180 | -178.3 | 0 | 0 | 107.4 | Q7 | M1-Q7 WeakPolarHBondContact CE-O 3.34Š| |||
| 2 | S | 32.9 | Very low | 64.3 | Low | 70 Ų | 70 | 79.8 Ų | 79.8 | 49% | 0.49 | 42% | 0.417 | S | S | . | . | trans | -47.9 | 143.9 | 152.5 | 56.4 | 0 | 0 | 0 | 0 | 106.9 | S4 S5 | S2-S4 PolarHBondContact O-N 3.23Å; S2-S4 PolarHBondContact OG-OG 3.09Å; S2-S5 PolarHBondContact O-N 3.41Å | ||
| 3 | R | 40.5 | Very low | 66.6 | Low | 268 Ų | 268 | 76.2 Ų | 76.2 | 100% | 1.011 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 2.4 | -179.1 | -74.1 | -179.2 | 172.6 | -179.8 | -2.4 | 113.9 | ||
| 4 | S | 47.2 | Very low | 68.6 | Low | 107 Ų | 107 | 71.2 Ų | 71.2 | 75% | 0.748 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -3 | -175.5 | 58.3 | 0 | 0 | 0 | 0 | 116 | S2 | S2-S4 PolarHBondContact O-N 3.23Å; S2-S4 PolarHBondContact OG-OG 3.09Å |
| 5 | S | 53.3 | Low | 70.3 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | trans | -93.4 | 115.9 | -180 | 159.4 | 0 | 0 | 0 | 0 | 111.5 | S2 Q7 | S2-S5 PolarHBondContact O-N 3.41Å; S5-Q7 PolarHBondContact O-N 3.36Å; S5-Q7 PolarHBondContact OG-N 2.95Å | ||
| 6 | S | 61 | Low | 71.8 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 58% | 0.58 | 37% | 0.373 | S | S | * | . | trans | -74.3 | -5.1 | 172 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | H8 | S6-H8 PolarHBondContact O-CD2 3.24Å; S6-H8 PolarHBondContact O-N 3.28Å | ||
| 7 | Q | 70.4 | Confident | 72.9 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | trans | -71.4 | 125.9 | -179.3 | -62 | -154.1 | -23.9 | 0 | 0 | 111.3 | M1 S5 G32 G332 V335 | M1-Q7 WeakPolarHBondContact CE-O 3.34Å; S5-Q7 PolarHBondContact O-N 3.36Å; S5-Q7 PolarHBondContact OG-N 2.95Å; Q7-G32 CarbonylContact C-O 3.49Å; Q7-G32 WeakPolarHBondContact CA-O 3.35Å; Q7-G332 PolarHBondContact OE1-O 2.84Å; Q7-V335 HydrophobicContact CB-CG2 4.16Å; Q7-V335 VanDerWaalsContact OE1-CG2 3.28Å | ||
| 8 | H | 76.5 | Confident | 73.8 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.8 | 168.2 | -67 | -88.7 | 0 | 0 | 0 | 110.1 | S6 G31 G32 N33 | S6-H8 PolarHBondContact O-CD2 3.24Å; S6-H8 PolarHBondContact O-N 3.28Å; H8-G31 WeakPolarHBondContact O-CA 3.45Å; H8-G32 PolarHBondContact N-O 3Å; H8-G32 PolarHBondContact O-N 3.23Å; H8-G32 VanDerWaalsContact O-N 3.14Å; H8-N33 PolarHBondContact CD2-O 2.89Å |
| 9 | L | 83.7 | Confident | 74.4 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.7 | 178.3 | -165.4 | 66.7 | 0 | 0 | 0 | 109.1 | I29 Y30 I325 V335 A336 | L9-I29 HydrophobicContact CD1-CD1 3.44Å; L9-I29 VanDerWaalsContact CD1-CD1 3.44Å; L9-I29 HydrophobicContact CD1-CG1 3.53Å; L9-I29 HydrophobicContact CD2-CD1 3.92Å; L9-I29 HydrophobicContact CG-CD1 3.76Å; L9-I29 HydrophobicContact CG-CG1 4.02Å; L9-Y30 WeakPolarHBondContact CA-O 3.44Å; L9-I325 HydrophobicContact CD2-CG2 3.8Å; L9-V335 HydrophobicContact CD1-CG1 3.94Å; L9-V335 HydrophobicContact CD2-CG1 4.09Å; L9-V335 HydrophobicContact CG-CG1 4.45Å; L9-A336 HydrophobicContact CD1-CB 3.82Å |
| 10 | W | 84 | Confident | 74.8 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 87.5 | -179 | -74.2 | 78.5 | 0 | 0 | 0 | 109.4 | Y30 K35 P36 | W10-Y30 HydrophobicContact CB-CD1 4.24Å; W10-Y30 PolarHBondContact N-O 3.08Å; W10-Y30 PolarHBondContact O-N 3.24Å; W10-K35 HydrophobicContact CZ2-CB 4.3Å; W10-K35 HydrophobicContact CZ2-CD 3.72Å; W10-K35 HydrophobicContact CZ2-CG 3.79Å; W10-P36 HydrophobicContact CD2-CG 4.42Å; W10-P36 HydrophobicContact CG-CG 4.49Å |
| 11 | P | 88.1 | Confident | 75.3 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 21% | 0.208 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.3 | 175.3 | 28.8 | -25.4 | 0 | 0 | 0 | 111.3 | L13 G28 I29 M322 I325 | P11-L13 HydrophobicContact CB-CD2 4.03Å; P11-L13 HydrophobicContact CB-CG 4.32Å; P11-G28 CarbonylContact C-O 3.57Å; P11-G28 WeakPolarHBondContact CA-O 3.09Å; P11-I29 HydrophobicContact CB-CB 4.49Å; P11-I29 HydrophobicContact CB-CD1 4.21Å; P11-I29 HydrophobicContact CB-CG1 4.07Å; P11-M322 HydrophobicContact CB-CE 3.93Å; P11-M322 HydrophobicContact CB-SD 4.32Å; P11-M322 HydrophobicContact CG-CE 3.29Å; P11-M322 HydrophobicContact CG-SD 3.1Å; P11-M322 WeakPolarHBondContact CG-SD 3.39Å; P11-I325 HydrophobicContact CB-CD1 4.09Å; P11-I325 HydrophobicContact CG-CD1 4.37Å |
| 12 | V | 90.6 | Very high | 77.5 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.6 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 106.7 | I27 G28 T46 | V12-I27 HydrophobicContact CB-CB 4.43Å; V12-I27 HydrophobicContact CG1-CB 4.18Å; V12-I27 HydrophobicContact CG1-CD1 4.21Å; V12-I27 HydrophobicContact CG1-CG2 4.47Å; V12-I27 PolarHBondContact O-N 3.09Å; V12-G28 PolarHBondContact N-O 3.06Å; V12-G28 PolarHBondContact O-N 2.48Å; V12-T46 HydrophobicContact CG1-CG2 4.34Å |
| 13 | L | 94.2 | Very high | 80.2 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.8 | -173.3 | -57.6 | 174.8 | 0 | 0 | 0 | 110.3 | P11 V24 F25 M26 F318 Y321 M322 I325 | P11-L13 HydrophobicContact CB-CD2 4.03Å; P11-L13 HydrophobicContact CB-CG 4.32Å; L13-V24 HydrophobicContact CB-CG1 3.97Å; L13-V24 HydrophobicContact CD1-CG1 4.17Å; L13-V24 HydrophobicContact CG-CG1 4.45Å; L13-F25 WeakPolarHBondContact CA-O 3.48Å; L13-M26 HydrophobicContact CD2-CB 4.38Å; L13-M26 HydrophobicContact CD2-CG 4.31Å; L13-F318 HydrophobicContact CB-CD1 3.72Å; L13-F318 HydrophobicContact CB-CE1 4.16Å; L13-F318 HydrophobicContact CD1-CB 4.01Å; L13-F318 HydrophobicContact CD1-CD1 3.99Å; L13-Y321 HydrophobicContact CD1-CD1 4.09Å; L13-Y321 HydrophobicContact CD2-CD1 3.59Å; L13-Y321 HydrophobicContact CD2-CE1 3.64Å; L13-Y321 HydrophobicContact CG-CD1 4.44Å; L13-M322 HydrophobicContact CD1-CE 3.37Å; L13-M322 HydrophobicContact CD1-CG 4.43Å; L13-M322 HydrophobicContact CD1-SD 4.37Å; L13-M322 HydrophobicContact CD2-CE 3.84Å; L13-M322 HydrophobicContact CG-CE 4.02Å; L13-I325 HydrophobicContact CD2-CD1 4.33Å |
| 14 | G | 94.6 | Very high | 82.7 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 155 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V24 F25 | G14-V24 WeakPolarHBondContact O-CA 3.1Å; G14-F25 VanDerWaalsContact C-CE1 3.45Å; G14-F25 PolarHBondContact N-O 2.73Å; G14-F25 WeakPolarHBondContact O-CD1 3.41Å; G14-F25 PolarHBondContact O-N 3.39Å |
| 15 | R | 95 | Very high | 84.8 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 25% | 0.249 | 34% | 0.335 | C | S | . | . | trans | -150.8 | 128 | 167.9 | -165.8 | -179 | -166.7 | -171.9 | 6.4 | 109.2 | L21 S22 V24 P317 F318 | R15-L21 HydrophobicContact CG-CD1 4.47Å; R15-L21 VanDerWaalsContact CZ-CD1 3.46Å; R15-L21 VanDerWaalsContact CZ-CG 3.48Å; R15-L21 VanDerWaalsContact NH2-CG 3.29Å; R15-S22 WeakPolarHBondContact CG-O 3.23Å; R15-S22 PolarHBondContact NE-O 3.47Å; R15-S22 PolarHBondContact NH2-O 3.5Å; R15-V24 HydrophobicContact CG-CG2 4.45Å; R15-P317 VanDerWaalsContact NH1-CG 3.31Å; R15-F318 HydrophobicContact CB-CE1 4.17Å; R15-F318 HydrophobicContact CB-CZ 4.04Å | ||
| 16 | I | 93.2 | Very high | 86.7 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -75.9 | 125.3 | 167.7 | -53.9 | 171.5 | 0 | 0 | 0 | 107.9 | A18 L21 S22 F25 | I16-A18 WeakPolarHBondContact CG2-O 3.25Å; I16-L21 WeakPolarHBondContact O-CA 3.39Å; I16-S22 WeakPolarHBondContact CA-OG 3.46Å; I16-S22 VanDerWaalsContact CB-OG 3.27Å; I16-S22 WeakPolarHBondContact CB-OG 3.37Å; I16-S22 PolarHBondContact N-OG 2.61Å; I16-S22 PolarHBondContact O-N 3.31Å; I16-S22 PolarHBondContact O-OG 3.19Å; I16-F25 HydrophobicContact CG1-CE1 4.25Å | ||
| 17 | V | 91.8 | Very high | 88.2 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | trans | -106.9 | -19.5 | -177.5 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | L21 | V17-L21 HydrophobicContact CB-CD1 4.49Å; V17-L21 HydrophobicContact CG1-CD1 4.28Å | ||
| 18 | A | 88.9 | Confident | 89.1 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -150.3 | 148 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I16 R20 | I16-A18 WeakPolarHBondContact CG2-O 3.25Å; A18-R20 VanDerWaalsContact C-N 3.26Å |
| 19 | P | 84.6 | Confident | 89.6 | Confident | 137 Ų | 137 | 58.8 Ų | 58.8 | 89% | 0.89 | 32% | 0.317 | S | S | * | . | S | Bend | cis | -75.3 | -11.2 | -2.2 | 32.7 | -36.6 | 0 | 0 | 0 | 113.3 | ||
| 20 | R | 82.6 | Confident | 89.8 | Confident | 191 Ų | 191 | 60.8 Ų | 60.8 | 72% | 0.721 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -127.2 | 142.9 | 176 | -65.4 | -174.9 | -179.2 | 177.2 | -0.7 | 110.2 | A18 | A18-R20 VanDerWaalsContact C-N 3.26Š|
| 21 | L | 85.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 124 | 174.6 | -166.2 | 63.9 | 0 | 0 | 0 | 109 | R15 I16 V17 | R15-L21 HydrophobicContact CG-CD1 4.47Å; R15-L21 VanDerWaalsContact CZ-CD1 3.46Å; R15-L21 VanDerWaalsContact CZ-CG 3.48Å; R15-L21 VanDerWaalsContact NH2-CG 3.29Å; I16-L21 WeakPolarHBondContact O-CA 3.39Å; V17-L21 HydrophobicContact CB-CD1 4.49Å; V17-L21 HydrophobicContact CG1-CD1 4.28Å |
| 22 | S | 89.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 168.4 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | R15 I16 | R15-S22 WeakPolarHBondContact CG-O 3.23Å; R15-S22 PolarHBondContact NE-O 3.47Å; R15-S22 PolarHBondContact NH2-O 3.5Å; I16-S22 WeakPolarHBondContact CA-OG 3.46Å; I16-S22 VanDerWaalsContact CB-OG 3.27Å; I16-S22 WeakPolarHBondContact CB-OG 3.37Å; I16-S22 PolarHBondContact N-OG 2.61Å; I16-S22 PolarHBondContact O-N 3.31Å; I16-S22 PolarHBondContact O-OG 3.19Å |
| 23 | D | 88.3 | Confident | 89.2 | Confident | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 158.6 | 161 | -74.8 | -55.5 | 0 | 0 | 0 | 111.5 | S358 T359 | D23-S358 WeakPolarHBondContact OD2-CA 3.19Å; D23-T359 PolarHBondContact OD1-OG1 2.79Å; D23-T359 PolarHBondContact OD2-N 3.22Å; D23-T359 PolarHBondContact OD2-OG1 3.18Å |
| 24 | V | 93.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 134.4 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | L13 G14 R15 P317 F318 Y321 | L13-V24 HydrophobicContact CB-CG1 3.97Å; L13-V24 HydrophobicContact CD1-CG1 4.17Å; L13-V24 HydrophobicContact CG-CG1 4.45Å; G14-V24 WeakPolarHBondContact O-CA 3.1Å; R15-V24 HydrophobicContact CG-CG2 4.45Å; V24-P317 HydrophobicContact CG2-CB 3.73Å; V24-F318 HydrophobicContact CG1-CD1 3.78Å; V24-F318 HydrophobicContact CG1-CE1 4.19Å; V24-F318 HydrophobicContact CG2-CD1 4.11Å; V24-F318 HydrophobicContact CG2-CE1 4.26Å; V24-Y321 HydrophobicContact CB-CD2 4.14Å; V24-Y321 HydrophobicContact CB-CG 4.03Å; V24-Y321 HydrophobicContact CG1-CD1 3.92Å; V24-Y321 HydrophobicContact CG1-CD2 4.23Å; V24-Y321 HydrophobicContact CG1-CG 3.71Å; V24-Y321 WeakPolarHBondContact O-CD2 3.48Å; V24-Y321 VanDerWaalsContact O-CE2 3.23Å; V24-Y321 WeakPolarHBondContact O-CE2 3.36Å |
| 25 | F | 92.4 | Very high | 87.7 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 159 | 177.4 | 60.2 | -91.8 | 0 | 0 | 0 | 111.4 | L13 G14 I16 I27 | L13-F25 WeakPolarHBondContact CA-O 3.48Å; G14-F25 VanDerWaalsContact C-CE1 3.45Å; G14-F25 PolarHBondContact N-O 2.73Å; G14-F25 WeakPolarHBondContact O-CD1 3.41Å; G14-F25 PolarHBondContact O-N 3.39Å; I16-F25 HydrophobicContact CG1-CE1 4.25Å; F25-I27 HydrophobicContact CD2-CG1 4.15Å; F25-I27 HydrophobicContact CE2-CD1 4.35Å; F25-I27 HydrophobicContact CE2-CG1 3.75Å |
| 26 | M | 92 | Very high | 86.8 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.6 | 178.6 | -164 | -179.6 | -38 | 0 | 0 | 109.8 | L13 I29 Y321 I325 Y343 | L13-M26 HydrophobicContact CD2-CB 4.38Å; L13-M26 HydrophobicContact CD2-CG 4.31Å; M26-I29 HydrophobicContact SD-CB 3.85Å; M26-I29 HydrophobicContact SD-CD1 4.04Å; M26-I29 HydrophobicContact SD-CG2 3.92Å; M26-Y321 HydrophobicContact CB-CE1 4.31Å; M26-Y321 HydrophobicContact CE-CE1 4.44Å; M26-I325 HydrophobicContact CE-CD1 3.4Å; M26-I325 VanDerWaalsContact CE-CD1 3.4Å; M26-I325 HydrophobicContact CE-CG1 3.93Å; M26-I325 HydrophobicContact SD-CD1 4.19Å; M26-Y343 HydrophobicContact CB-CD1 4.19Å; M26-Y343 HydrophobicContact CB-CD2 4.19Å; M26-Y343 HydrophobicContact CB-CE1 4.03Å; M26-Y343 HydrophobicContact CB-CE2 4.02Å; M26-Y343 HydrophobicContact CB-CG 4.25Å; M26-Y343 HydrophobicContact CE-CD2 4.1Å; M26-Y343 HydrophobicContact CE-CG 3.89Å; M26-Y343 PolarHBondContact N-OH 3.46Å |
| 27 | I | 91.8 | Very high | 86 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -48.3 | 172.2 | -63.2 | 163.2 | 0 | 0 | 0 | 109.4 | V12 F25 T46 | V12-I27 HydrophobicContact CB-CB 4.43Å; V12-I27 HydrophobicContact CG1-CB 4.18Å; V12-I27 HydrophobicContact CG1-CD1 4.21Å; V12-I27 HydrophobicContact CG1-CG2 4.47Å; V12-I27 PolarHBondContact O-N 3.09Å; F25-I27 HydrophobicContact CD2-CG1 4.15Å; F25-I27 HydrophobicContact CE2-CD1 4.35Å; F25-I27 HydrophobicContact CE2-CG1 3.75Å; I27-T46 HydrophobicContact CG2-CG2 3.66Å |
| 28 | G | 89.3 | Confident | 85.6 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P11 V12 | P11-G28 CarbonylContact C-O 3.57Å; P11-G28 WeakPolarHBondContact CA-O 3.09Å; V12-G28 PolarHBondContact N-O 3.06Å; V12-G28 PolarHBondContact O-N 2.48Å |
| 29 | I | 88.8 | Confident | 85.5 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 118.7 | 177.8 | -166.7 | 165.6 | 0 | 0 | 0 | 111.9 | L9 P11 M26 I325 A336 A339 A340 | L9-I29 HydrophobicContact CD1-CD1 3.44Å; L9-I29 VanDerWaalsContact CD1-CD1 3.44Å; L9-I29 HydrophobicContact CD1-CG1 3.53Å; L9-I29 HydrophobicContact CD2-CD1 3.92Å; L9-I29 HydrophobicContact CG-CD1 3.76Å; L9-I29 HydrophobicContact CG-CG1 4.02Å; P11-I29 HydrophobicContact CB-CB 4.49Å; P11-I29 HydrophobicContact CB-CD1 4.21Å; P11-I29 HydrophobicContact CB-CG1 4.07Å; M26-I29 HydrophobicContact SD-CB 3.85Å; M26-I29 HydrophobicContact SD-CD1 4.04Å; M26-I29 HydrophobicContact SD-CG2 3.92Å; I29-I325 HydrophobicContact CD1-CD1 4.37Å; I29-I325 HydrophobicContact CD1-CG2 4.15Å; I29-A336 HydrophobicContact CG1-CB 4.25Å; I29-A336 HydrophobicContact CG2-CB 4.26Å; I29-A339 HydrophobicContact CD1-CB 3.71Å; I29-A340 HydrophobicContact CG2-CB 3.98Å |
| 30 | Y | 87.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 62 Ų | 62 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.3 | 171.1 | 174.3 | -90.4 | 0 | 0 | 0 | 110.2 | L9 W10 P36 I42 | L9-Y30 WeakPolarHBondContact CA-O 3.44Å; W10-Y30 HydrophobicContact CB-CD1 4.24Å; W10-Y30 PolarHBondContact N-O 3.08Å; W10-Y30 PolarHBondContact O-N 3.24Å; Y30-P36 HydrophobicContact CD1-CB 4.4Å; Y30-P36 HydrophobicContact CD1-CG 4.5Å; Y30-P36 HydrophobicContact CE1-CB 4.21Å; Y30-I42 HydrophobicContact CD2-CG2 3.65Å; Y30-I42 HydrophobicContact CE2-CG2 4.08Å; Y30-I42 HydrophobicContact CG-CG2 4.17Å |
| 31 | G | 85.6 | Confident | 86 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | H8 | H8-G31 WeakPolarHBondContact O-CA 3.45Å |
| 32 | G | 83.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 166 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q7 H8 T34 | Q7-G32 CarbonylContact C-O 3.49Å; Q7-G32 WeakPolarHBondContact CA-O 3.35Å; H8-G32 PolarHBondContact N-O 3Å; H8-G32 PolarHBondContact O-N 3.23Å; H8-G32 VanDerWaalsContact O-N 3.14Å; G32-T34 PolarHBondContact O-N 2.88Å |
| 33 | N | 80.2 | Confident | 86 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -72.4 | -13.9 | 175.4 | -68.5 | -25.1 | 0 | 0 | 0 | 112.8 | H8 | H8-N33 PolarHBondContact CD2-O 2.89Š|
| 34 | T | 79.7 | Confident | 86.2 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -128.6 | 168.5 | 175.5 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | G32 | G32-T34 PolarHBondContact O-N 2.88Š|
| 35 | K | 77.5 | Confident | 86.1 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.478 | 34% | 0.339 | S | S | . | . | trans | -58.3 | 150.5 | 161.8 | -64.1 | -175.3 | 173.9 | -167.2 | 0 | 109.3 | W10 A37 | W10-K35 HydrophobicContact CZ2-CB 4.3Å; W10-K35 HydrophobicContact CZ2-CD 3.72Å; W10-K35 HydrophobicContact CZ2-CG 3.79Å; K35-A37 PolarHBondContact O-N 3.11Å | ||
| 36 | P | 76.8 | Confident | 86.1 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.143 | 33% | 0.331 | C | S | . | . | trans | -53.7 | 133.7 | 171.2 | 25.8 | -35.7 | 0 | 0 | 0 | 109.2 | W10 Y30 Q38 I42 | W10-P36 HydrophobicContact CD2-CG 4.42Å; W10-P36 HydrophobicContact CG-CG 4.49Å; Y30-P36 HydrophobicContact CD1-CB 4.4Å; Y30-P36 HydrophobicContact CD1-CG 4.5Å; Y30-P36 HydrophobicContact CE1-CB 4.21Å; P36-Q38 VanDerWaalsContact C-N 3.28Å; P36-Q38 PolarHBondContact O-N 2.8Å; P36-I42 HydrophobicContact CB-CD1 3.91Å; P36-I42 HydrophobicContact CB-CG1 4.24Å; P36-I42 HydrophobicContact CB-CG2 3.73Å; P36-I42 HydrophobicContact CG-CD1 3.72Å | ||
| 37 | A | 75.9 | Confident | 86.2 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 79% | 0.793 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -65 | -37.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K35 | K35-A37 PolarHBondContact O-N 3.11Š|
| 38 | Q | 82.9 | Confident | 86.3 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | trans | -134.7 | 128.8 | 176.1 | -58.4 | -170.9 | 13.4 | 0 | 0 | 109.3 | P36 N40 E41 | P36-Q38 VanDerWaalsContact C-N 3.28Å; P36-Q38 PolarHBondContact O-N 2.8Å; Q38-N40 PolarHBondContact O-N 3.01Å; Q38-E41 HydrophobicContact CB-CB 4.48Å; Q38-E41 HydrophobicContact CB-CG 4Å; Q38-E41 PolarHBondContact O-N 2.87Å | ||
| 39 | F | 87 | Confident | 86.5 | Confident | 31 Ų | 31 | 62 Ų | 62 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 175.9 | -177.3 | -91.5 | 0 | 0 | 0 | 111.3 | E41 I42 S43 V84 Y86 F140 | F39-E41 VanDerWaalsContact C-N 3.31Å; F39-E41 PolarHBondContact O-N 3.26Å; F39-I42 HydrophobicContact CD2-CD1 3.92Å; F39-I42 HydrophobicContact CD2-CG1 4.22Å; F39-I42 HydrophobicContact CE2-CD1 4.15Å; F39-I42 WeakPolarHBondContact O-CG1 3.38Å; F39-I42 PolarHBondContact O-N 2.94Å; F39-S43 VanDerWaalsContact CE1-OG 3.3Å; F39-S43 WeakPolarHBondContact CE1-OG 3.5Å; F39-S43 WeakPolarHBondContact O-CB 3.37Å; F39-S43 PolarHBondContact O-N 3.17Å; F39-S43 VanDerWaalsContact O-N 3.08Å; F39-S43 PolarHBondContact O-OG 3.37Å; F39-V84 HydrophobicContact CD1-CB 4.32Å; F39-V84 HydrophobicContact CD1-CG1 4.26Å; F39-V84 HydrophobicContact CD1-CG2 4.07Å; F39-V84 HydrophobicContact CD2-CG2 3.87Å; F39-V84 HydrophobicContact CE1-CB 4.32Å; F39-V84 HydrophobicContact CE1-CG1 3.92Å; F39-V84 HydrophobicContact CE1-CG2 3.91Å; F39-V84 HydrophobicContact CE2-CG2 3.68Å; F39-V84 HydrophobicContact CG-CG2 4.07Å; F39-V84 HydrophobicContact CZ-CG1 4.34Å; F39-V84 HydrophobicContact CZ-CG2 3.7Å; F39-Y86 HydrophobicContact CB-CE2 4.4Å; F39-Y86 PolarHBondContact N-OH 3.19Å; F39-F140 HydrophobicContact CE1-CD2 4.45Å; F39-F140 AromaticContact CE1-CE2 3.78Å; F39-F140 HydrophobicContact CE1-CE2 3.78Å; F39-F140 HydrophobicContact CZ-CE2 4.35Å |
| 40 | N | 91.5 | Very high | 86.8 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | -177.8 | -77.9 | -9 | 0 | 0 | 0 | 111.6 | Q38 I42 S43 A44 Y86 H137 L139 | Q38-N40 PolarHBondContact O-N 3.01Å; N40-I42 PolarHBondContact O-N 3.15Å; N40-S43 PolarHBondContact O-N 3.18Å; N40-A44 WeakPolarHBondContact O-CB 3.23Å; N40-A44 PolarHBondContact O-N 3.36Å; N40-A44 VanDerWaalsContact O-N 3.08Å; N40-Y86 HydrophobicContact CB-CE2 4.35Å; N40-Y86 VanDerWaalsContact CB-OH 3.24Å; N40-Y86 WeakPolarHBondContact CB-OH 3.44Å; N40-Y86 VanDerWaalsContact CG-CZ 3.46Å; N40-Y86 PolarHBondContact N-OH 2.91Å; N40-Y86 PolarHBondContact ND2-OH 3.46Å; N40-Y86 WeakPolarHBondContact OD1-CE2 3.13Å; N40-H137 PolarHBondContact ND2-O 3.33Å; N40-L139 HydrophobicContact CB-CD1 3.82Å; N40-L139 HydrophobicContact CB-CG 3.88Å; N40-L139 VanDerWaalsContact O-CD1 3.23Å; N40-L139 WeakPolarHBondContact O-CD1 3.46Å; N40-L139 PolarHBondContact OD1-N 2.77Å |
| 41 | E | 87.4 | Confident | 87.1 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 179.5 | -69.4 | 174.1 | -168.1 | 0 | 0 | 112 | Q38 F39 | Q38-E41 HydrophobicContact CB-CB 4.48Å; Q38-E41 HydrophobicContact CB-CG 4Å; Q38-E41 PolarHBondContact O-N 2.87Å; F39-E41 VanDerWaalsContact C-N 3.31Å; F39-E41 PolarHBondContact O-N 3.26Å |
| 42 | I | 86.3 | Confident | 87.5 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -80.3 | -19 | -177.9 | 62.7 | 158.2 | 0 | 0 | 0 | 113.4 | Y30 P36 F39 N40 | Y30-I42 HydrophobicContact CD2-CG2 3.65Å; Y30-I42 HydrophobicContact CE2-CG2 4.08Å; Y30-I42 HydrophobicContact CG-CG2 4.17Å; P36-I42 HydrophobicContact CB-CD1 3.91Å; P36-I42 HydrophobicContact CB-CG1 4.24Å; P36-I42 HydrophobicContact CB-CG2 3.73Å; P36-I42 HydrophobicContact CG-CD1 3.72Å; F39-I42 HydrophobicContact CD2-CD1 3.92Å; F39-I42 HydrophobicContact CD2-CG1 4.22Å; F39-I42 HydrophobicContact CE2-CD1 4.15Å; F39-I42 WeakPolarHBondContact O-CG1 3.38Å; F39-I42 PolarHBondContact O-N 2.94Å; N40-I42 PolarHBondContact O-N 3.15Å |
| 43 | S | 89.2 | Confident | 88 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -105.6 | -0.9 | -176.2 | 69 | 0 | 0 | 0 | 0 | 113.6 | F39 N40 D45 T46 I47 | F39-S43 VanDerWaalsContact CE1-OG 3.3Å; F39-S43 WeakPolarHBondContact CE1-OG 3.5Å; F39-S43 WeakPolarHBondContact O-CB 3.37Å; F39-S43 PolarHBondContact O-N 3.17Å; F39-S43 VanDerWaalsContact O-N 3.08Å; F39-S43 PolarHBondContact O-OG 3.37Å; N40-S43 PolarHBondContact O-N 3.18Å; S43-D45 PolarHBondContact O-N 3.38Å; S43-T46 PolarHBondContact O-N 3.4Å; S43-I47 WeakPolarHBondContact O-CB 3.4Å; S43-I47 VanDerWaalsContact O-CG1 3.29Å; S43-I47 WeakPolarHBondContact O-CG1 3.39Å; S43-I47 PolarHBondContact O-N 3.28Å; S43-I47 WeakPolarHBondContact OG-CD1 3.46Å |
| 44 | A | 92 | Very high | 88.5 | Confident | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.8 | -54.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N40 T46 I47 S48 L139 | N40-A44 WeakPolarHBondContact O-CB 3.23Å; N40-A44 PolarHBondContact O-N 3.36Å; N40-A44 VanDerWaalsContact O-N 3.08Å; A44-T46 PolarHBondContact O-N 3.43Å; A44-I47 PolarHBondContact O-N 2.69Å; A44-S48 WeakPolarHBondContact O-CB 3.24Å; A44-S48 PolarHBondContact O-N 3.5Å; A44-L139 HydrophobicContact CB-CD1 4.05Å |
| 45 | D | 91.7 | Very high | 89.1 | Confident | 130 Ų | 130 | 65.6 Ų | 65.6 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -47.6 | -179.7 | -61.6 | -18.6 | 0 | 0 | 0 | 111 | S43 I47 S48 E49 | S43-D45 PolarHBondContact O-N 3.38Å; D45-I47 VanDerWaalsContact C-N 3.35Å; D45-I47 PolarHBondContact O-N 2.99Å; D45-S48 WeakPolarHBondContact O-CB 3.38Å; D45-S48 PolarHBondContact O-N 3.44Å; D45-E49 WeakPolarHBondContact O-CG 2.9Å; D45-E49 PolarHBondContact O-N 3.26Å |
| 46 | T | 92.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | V12 I27 S43 A44 I50 | V12-T46 HydrophobicContact CG1-CG2 4.34Å; I27-T46 HydrophobicContact CG2-CG2 3.66Å; S43-T46 PolarHBondContact O-N 3.4Å; A44-T46 PolarHBondContact O-N 3.43Å; T46-I50 HydrophobicContact CG2-CD1 3.93Å; T46-I50 WeakPolarHBondContact O-CB 3.34Å; T46-I50 WeakPolarHBondContact O-CG1 3.34Å; T46-I50 PolarHBondContact O-N 3.09Å |
| 47 | I | 94 | Very high | 90.6 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 179.6 | -68.3 | 169.9 | 0 | 0 | 0 | 110.6 | S43 A44 D45 I50 K51 L139 F140 L143 | S43-I47 WeakPolarHBondContact O-CB 3.4Å; S43-I47 VanDerWaalsContact O-CG1 3.29Å; S43-I47 WeakPolarHBondContact O-CG1 3.39Å; S43-I47 PolarHBondContact O-N 3.28Å; S43-I47 WeakPolarHBondContact OG-CD1 3.46Å; A44-I47 PolarHBondContact O-N 2.69Å; D45-I47 VanDerWaalsContact C-N 3.35Å; D45-I47 PolarHBondContact O-N 2.99Å; I47-I50 PolarHBondContact O-N 3.06Å; I47-K51 WeakPolarHBondContact O-CB 3.41Å; I47-K51 PolarHBondContact O-N 3.33Å; I47-L139 HydrophobicContact CB-CB 4.47Å; I47-L139 HydrophobicContact CD1-CB 3.47Å; I47-L139 VanDerWaalsContact CD1-CB 3.47Å; I47-L139 HydrophobicContact CD1-CD1 4.39Å; I47-L139 HydrophobicContact CG2-CB 4.13Å; I47-F140 HydrophobicContact CD1-CD2 3.76Å; I47-F140 HydrophobicContact CD1-CE2 3.74Å; I47-F140 HydrophobicContact CD1-CG 4.25Å; I47-F140 HydrophobicContact CD1-CZ 4.19Å; I47-F140 HydrophobicContact CG1-CE1 4.47Å; I47-F140 HydrophobicContact CG1-CE2 4.29Å; I47-F140 HydrophobicContact CG1-CZ 4.24Å; I47-L143 HydrophobicContact CG2-CD1 4.34Å; I47-L143 HydrophobicContact CG2-CD2 4.25Å; I47-L143 HydrophobicContact CG2-CG 4.2Å |
| 48 | S | 94.5 | Very high | 91.3 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | A44 D45 K51 E52 | A44-S48 WeakPolarHBondContact O-CB 3.24Å; A44-S48 PolarHBondContact O-N 3.5Å; D45-S48 WeakPolarHBondContact O-CB 3.38Å; D45-S48 PolarHBondContact O-N 3.44Å; S48-K51 WeakPolarHBondContact O-CB 3.49Å; S48-K51 PolarHBondContact O-N 3.43Å; S48-E52 PolarHBondContact O-N 2.86Å |
| 49 | E | 93.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 62.3 Ų | 62.3 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.6 | -71.9 | 178.2 | -170.5 | 0 | 0 | 111.9 | D45 K51 E52 M53 | D45-E49 WeakPolarHBondContact O-CG 2.9Å; D45-E49 PolarHBondContact O-N 3.26Å; E49-K51 VanDerWaalsContact C-N 3.29Å; E49-K51 PolarHBondContact O-N 3.46Å; E49-E52 PolarHBondContact O-N 3.21Å; E49-M53 HydrophobicContact CB-CE 4.41Å; E49-M53 WeakPolarHBondContact O-CB 3.25Å; E49-M53 WeakPolarHBondContact O-CE 3.16Å; E49-M53 VanDerWaalsContact O-CG 3.29Å; E49-M53 WeakPolarHBondContact O-CG 3.46Å; E49-M53 PolarHBondContact O-N 3.37Å |
| 50 | I | 93.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.2 | -71.2 | 166.6 | 0 | 0 | 0 | 110.3 | T46 I47 M53 T54 L143 | T46-I50 HydrophobicContact CG2-CD1 3.93Å; T46-I50 WeakPolarHBondContact O-CB 3.34Å; T46-I50 WeakPolarHBondContact O-CG1 3.34Å; T46-I50 PolarHBondContact O-N 3.09Å; I47-I50 PolarHBondContact O-N 3.06Å; I50-M53 HydrophobicContact CG1-CE 4.16Å; I50-M53 PolarHBondContact O-N 3.5Å; I50-T54 HydrophobicContact CG2-CG2 4.17Å; I50-T54 WeakPolarHBondContact O-CB 3.44Å; I50-T54 VanDerWaalsContact O-CG2 3.28Å; I50-T54 WeakPolarHBondContact O-CG2 3.47Å; I50-T54 PolarHBondContact O-N 3.1Å; I50-T54 PolarHBondContact O-OG1 2.8Å; I50-T54 VanDerWaalsContact O-OG1 3.04Å; I50-L143 HydrophobicContact CG2-CD1 3.72Å; I50-L143 HydrophobicContact CG2-CD2 4.12Å |
| 51 | K | 95 | Very high | 91.6 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 32% | 0.317 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -53.7 | 178.4 | -171.4 | 176 | 175.7 | 179.1 | 0 | 110.9 | I47 S48 E49 M53 T54 E55 L143 | I47-K51 WeakPolarHBondContact O-CB 3.41Å; I47-K51 PolarHBondContact O-N 3.33Å; S48-K51 WeakPolarHBondContact O-CB 3.49Å; S48-K51 PolarHBondContact O-N 3.43Å; E49-K51 VanDerWaalsContact C-N 3.29Å; E49-K51 PolarHBondContact O-N 3.46Å; K51-M53 PolarHBondContact O-N 3.41Å; K51-T54 PolarHBondContact O-N 3.18Å; K51-T54 VanDerWaalsContact O-N 3.15Å; K51-T54 PolarHBondContact O-OG1 2.81Å; K51-E55 WeakPolarHBondContact CE-OE1 3.28Å; K51-E55 WeakPolarHBondContact CG-OE1 3.1Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.38Å; K51-L143 VanDerWaalsContact CA-CD2 3.43Å; K51-L143 HydrophobicContact CB-CD2 3.46Å; K51-L143 VanDerWaalsContact CB-CD2 3.46Å; K51-L143 HydrophobicContact CG-CD2 3.95Å |
| 52 | E | 93.8 | Very high | 91.8 | Very high | 120 Ų | 120 | 71.3 Ų | 71.3 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -54.7 | -51.9 | 176.4 | -175.3 | 179.9 | 173.4 | 0 | 0 | 110.8 | S48 E49 T54 E55 T56 | S48-E52 PolarHBondContact O-N 2.86Å; E49-E52 PolarHBondContact O-N 3.21Å; E52-T54 VanDerWaalsContact C-N 3.29Å; E52-T54 PolarHBondContact O-N 2.66Å; E52-E55 PolarHBondContact O-N 2.67Å; E52-E55 VanDerWaalsContact O-N 3.09Å; E52-T56 HydrophobicContact CG-CG2 4.47Å; E52-T56 PolarHBondContact O-N 3.26Å; E52-T56 PolarHBondContact O-OG1 3.46Å |
| 53 | M | 92.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 75.2 Ų | 75.2 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -35.8 | 179 | -73.9 | -171.2 | -71.8 | 0 | 0 | 113.5 | E49 I50 K51 G57 L58 I69 | E49-M53 HydrophobicContact CB-CE 4.41Å; E49-M53 WeakPolarHBondContact O-CB 3.25Å; E49-M53 WeakPolarHBondContact O-CE 3.16Å; E49-M53 VanDerWaalsContact O-CG 3.29Å; E49-M53 WeakPolarHBondContact O-CG 3.46Å; E49-M53 PolarHBondContact O-N 3.37Å; I50-M53 HydrophobicContact CG1-CE 4.16Å; I50-M53 PolarHBondContact O-N 3.5Å; K51-M53 PolarHBondContact O-N 3.41Å; M53-G57 WeakPolarHBondContact O-CA 3.16Å; M53-G57 PolarHBondContact O-N 3.35Å; M53-L58 HydrophobicContact CG-CD2 3.81Å; M53-L58 HydrophobicContact CG-CG 4.24Å; M53-L58 HydrophobicContact SD-CD1 4.11Å; M53-L58 HydrophobicContact SD-CD2 3.86Å; M53-L58 HydrophobicContact SD-CG 4.18Å; M53-I69 HydrophobicContact CB-CB 4.38Å; M53-I69 HydrophobicContact CB-CG2 4.48Å |
| 54 | T | 92.4 | Very high | 92 | Very high | 32 Ų | 32 | 81.6 Ų | 81.6 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -75.1 | -28.1 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | I50 K51 E52 | I50-T54 HydrophobicContact CG2-CG2 4.17Å; I50-T54 WeakPolarHBondContact O-CB 3.44Å; I50-T54 VanDerWaalsContact O-CG2 3.28Å; I50-T54 WeakPolarHBondContact O-CG2 3.47Å; I50-T54 PolarHBondContact O-N 3.1Å; I50-T54 PolarHBondContact O-OG1 2.8Å; I50-T54 VanDerWaalsContact O-OG1 3.04Å; K51-T54 PolarHBondContact O-N 3.18Å; K51-T54 VanDerWaalsContact O-N 3.15Å; K51-T54 PolarHBondContact O-OG1 2.81Å; E52-T54 VanDerWaalsContact C-N 3.29Å; E52-T54 PolarHBondContact O-N 2.66Å |
| 55 | E | 92.5 | Very high | 92.1 | Very high | 126 Ų | 126 | 86.7 Ų | 86.7 | 59% | 0.589 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -85.9 | -43.9 | -179.9 | -71.3 | 174.7 | 178.9 | 0 | 0 | 111.9 | K51 E52 | K51-E55 WeakPolarHBondContact CE-OE1 3.28Å; K51-E55 WeakPolarHBondContact CG-OE1 3.1Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.38Å; E52-E55 PolarHBondContact O-N 2.67Å; E52-E55 VanDerWaalsContact O-N 3.09Å |
| 56 | T | 92.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 87.9 Ų | 87.9 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -98.3 | -26 | -175.3 | 65 | 0 | 0 | 0 | 0 | 113.6 | E52 Y66 | E52-T56 HydrophobicContact CG-CG2 4.47Å; E52-T56 PolarHBondContact O-N 3.26Å; E52-T56 PolarHBondContact O-OG1 3.46Å; T56-Y66 WeakPolarHBondContact O-CD1 3.43Å |
| 57 | G | 92.2 | Very high | 92 | Very high | 8 Ų | 8 | 90.7 Ų | 90.7 | 8% | 0.082 | 45% | 0.445 | C | S | . | . | trans | 74.7 | 177.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113 | M53 I67 | M53-G57 WeakPolarHBondContact O-CA 3.16Å; M53-G57 PolarHBondContact O-N 3.35Å; G57-I67 CarbonylContact C-O 3.45Å; G57-I67 WeakPolarHBondContact CA-O 3.44Å | ||
| 58 | L | 90.3 | Very high | 91.9 | Very high | 82 Ų | 82 | 95 Ų | 95 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125 | 177.6 | -73.7 | 175.3 | 0 | 0 | 0 | 111.3 | M53 S60 Y66 I67 I69 | M53-L58 HydrophobicContact CG-CD2 3.81Å; M53-L58 HydrophobicContact CG-CG 4.24Å; M53-L58 HydrophobicContact SD-CD1 4.11Å; M53-L58 HydrophobicContact SD-CD2 3.86Å; M53-L58 HydrophobicContact SD-CG 4.18Å; L58-S60 PolarHBondContact O-N 2.8Å; L58-Y66 CarbonylContact O-C 3.59Å; L58-Y66 WeakPolarHBondContact O-CA 3.22Å; L58-I67 PolarHBondContact N-O 3.22Å; L58-I67 PolarHBondContact O-N 3.11Å; L58-I69 HydrophobicContact CB-CG1 4.29Å; L58-I69 HydrophobicContact CD1-CD1 3.82Å; L58-I69 HydrophobicContact CD1-CG1 3.75Å; L58-I69 HydrophobicContact CG-CD1 4.27Å; L58-I69 HydrophobicContact CG-CG1 3.77Å |
| 59 | L | 91.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 110 | 175.1 | -180 | 62.5 | 0 | 0 | 0 | 110.6 | V61 Y66 | L59-V61 PolarHBondContact O-N 2.98Å; L59-Y66 HydrophobicContact CB-CD1 4.2Å; L59-Y66 HydrophobicContact CB-CE1 3.86Å; L59-Y66 HydrophobicContact CD1-CD2 4.17Å; L59-Y66 HydrophobicContact CD1-CE2 3.95Å |
| 60 | S | 89 | Confident | 91.9 | Very high | 24 Ų | 24 | 97.8 Ų | 97.8 | 17% | 0.168 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 104.6 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 110 | L58 R62 F63 N64 K65 | L58-S60 PolarHBondContact O-N 2.8Å; S60-R62 PolarHBondContact O-N 2.92Å; S60-F63 PolarHBondContact O-N 2.85Å; S60-F63 VanDerWaalsContact O-N 3.16Å; S60-F63 VanDerWaalsContact OG-CD2 3.24Å; S60-F63 WeakPolarHBondContact OG-CD2 2.98Å; S60-N64 WeakPolarHBondContact O-CA 3.39Å; S60-N64 PolarHBondContact O-N 2.82Å; S60-K65 PolarHBondContact N-O 3.22Å; S60-K65 PolarHBondContact O-N 2.97Å |
| 61 | V | 89.3 | Confident | 91.9 | Very high | 132 Ų | 132 | 98.2 Ų | 98.2 | 80% | 0.8 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | L59 F63 N64 | L59-V61 PolarHBondContact O-N 2.98Å; V61-F63 VanDerWaalsContact C-N 3.33Å; V61-F63 PolarHBondContact O-N 2.96Å; V61-N64 PolarHBondContact O-N 2.94Å |
| 62 | R | 89.8 | Confident | 91.9 | Very high | 219 Ų | 219 | 97.6 Ų | 97.6 | 83% | 0.826 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.1 | 179.6 | -177.5 | 177.3 | -179.8 | 175.9 | 2 | 113.2 | S60 | S60-R62 PolarHBondContact O-N 2.92Š|
| 63 | F | 89.9 | Confident | 92.1 | Very high | 128 Ų | 128 | 93.2 Ų | 93.2 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -3.6 | -176.2 | -58.7 | -62.6 | 0 | 0 | 0 | 113.3 | S60 V61 K65 | S60-F63 PolarHBondContact O-N 2.85Å; S60-F63 VanDerWaalsContact O-N 3.16Å; S60-F63 VanDerWaalsContact OG-CD2 3.24Å; S60-F63 WeakPolarHBondContact OG-CD2 2.98Å; V61-F63 VanDerWaalsContact C-N 3.33Å; V61-F63 PolarHBondContact O-N 2.96Å; F63-K65 HydrophobicContact CB-CB 4.44Å; F63-K65 WeakPolarHBondContact O-CG 3.25Å; F63-K65 PolarHBondContact O-N 2.86Å |
| 64 | N | 91.6 | Very high | 92.3 | Very high | 137 Ų | 137 | 91.6 Ų | 91.6 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 45.5 | -170.4 | -164.5 | 36.9 | 0 | 0 | 0 | 112.6 | S60 V61 | S60-N64 WeakPolarHBondContact O-CA 3.39Å; S60-N64 PolarHBondContact O-N 2.82Å; V61-N64 PolarHBondContact O-N 2.94Å |
| 65 | K | 92.3 | Very high | 92.5 | Very high | 147 Ų | 147 | 92 Ų | 92 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144 | -177.2 | -75.3 | -179.4 | -177.2 | -174.7 | 0 | 110.6 | S60 F63 | S60-K65 PolarHBondContact N-O 3.22Å; S60-K65 PolarHBondContact O-N 2.97Å; F63-K65 HydrophobicContact CB-CB 4.44Å; F63-K65 WeakPolarHBondContact O-CG 3.25Å; F63-K65 PolarHBondContact O-N 2.86Å |
| 66 | Y | 91.8 | Very high | 92.7 | Very high | 156 Ų | 156 | 86.9 Ų | 86.9 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127 | 166.5 | -73.5 | -90.5 | 0 | 0 | 0 | 109.7 | T56 L58 L59 | T56-Y66 WeakPolarHBondContact O-CD1 3.43Å; L58-Y66 CarbonylContact O-C 3.59Å; L58-Y66 WeakPolarHBondContact O-CA 3.22Å; L59-Y66 HydrophobicContact CB-CD1 4.2Å; L59-Y66 HydrophobicContact CB-CE1 3.86Å; L59-Y66 HydrophobicContact CD1-CD2 4.17Å; L59-Y66 HydrophobicContact CD1-CE2 3.95Å |
| 67 | I | 91.2 | Very high | 92.8 | Very high | 83 Ų | 83 | 85.8 Ų | 85.8 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.1 | 174.2 | -59.2 | 177.6 | 0 | 0 | 0 | 106.8 | G57 L58 I69 | G57-I67 CarbonylContact C-O 3.45Å; G57-I67 WeakPolarHBondContact CA-O 3.44Å; L58-I67 PolarHBondContact N-O 3.22Å; L58-I67 PolarHBondContact O-N 3.11Å; I67-I69 HydrophobicContact CG2-CD1 4.16Å; I67-I69 PolarHBondContact O-N 2.92Å |
| 68 | A | 92.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 86.1 Ų | 86.1 | 78% | 0.777 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 129.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 69 | I | 92.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 84.4 Ų | 84.4 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | trans | -110.4 | 136.7 | 177.4 | -57.2 | -57.7 | 0 | 0 | 0 | 108.8 | M53 L58 I67 | M53-I69 HydrophobicContact CB-CB 4.38Å; M53-I69 HydrophobicContact CB-CG2 4.48Å; L58-I69 HydrophobicContact CB-CG1 4.29Å; L58-I69 HydrophobicContact CD1-CD1 3.82Å; L58-I69 HydrophobicContact CD1-CG1 3.75Å; L58-I69 HydrophobicContact CG-CD1 4.27Å; L58-I69 HydrophobicContact CG-CG1 3.77Å; I67-I69 HydrophobicContact CG2-CD1 4.16Å; I67-I69 PolarHBondContact O-N 2.92Å | ||
| 70 | K | 93.5 | Very high | 93.2 | Very high | 184 Ų | 184 | 81.1 Ų | 81.1 | 80% | 0.8 | 42% | 0.42 | S | S | * | . | trans | -130.3 | 130.6 | 175.1 | -176.6 | 179.6 | 177.8 | -177.6 | 0 | 109.6 | S72 | K70-S72 PolarHBondContact O-N 2.85Š| ||
| 71 | L | 95.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 80.2 Ų | 80.2 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | trans | -69.9 | 109.4 | 167.5 | -180 | 60.9 | 0 | 0 | 0 | 108.9 | V74 F140 L143 I145 T150 | L71-V74 HydrophobicContact CD1-CG2 4.4Å; L71-V74 HydrophobicContact CD2-CG2 3.83Å; L71-V74 HydrophobicContact CG-CG2 4.37Å; L71-F140 HydrophobicContact CD2-CD1 4.19Å; L71-F140 HydrophobicContact CD2-CE1 3.87Å; L71-L143 HydrophobicContact CD2-CD1 4.06Å; L71-I145 HydrophobicContact CB-CG2 4.38Å; L71-I145 HydrophobicContact CD2-CD1 4.19Å; L71-I145 HydrophobicContact CD2-CG2 4.44Å; L71-T150 HydrophobicContact CD2-CG2 4.38Å; L71-T150 HydrophobicContact CG-CG2 4.26Å | ||
| 72 | S | 95 | Very high | 93.8 | Very high | 59 Ų | 59 | 74 Ų | 74 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | trans | -77.5 | -47.6 | -177 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | K70 H307 | K70-S72 PolarHBondContact O-N 2.85Å; S72-H307 PolarHBondContact O-CE1 2.99Å; S72-H307 VanDerWaalsContact O-CE1 3.24Å | ||
| 73 | A | 97.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | trans | -157.2 | 150.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I75 T150 P152 | A73-I75 HydrophobicContact CB-CD1 3.77Å; A73-T150 CarbonylContact C-O 3.39Å; A73-T150 VanDerWaalsContact CA-O 3.3Å; A73-T150 WeakPolarHBondContact CA-O 3.4Å; A73-P152 HydrophobicContact CB-CG 4.03Å | ||
| 74 | V | 97.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | trans | -111.4 | 103 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | L71 F140 T150 F151 | L71-V74 HydrophobicContact CD1-CG2 4.4Å; L71-V74 HydrophobicContact CD2-CG2 3.83Å; L71-V74 HydrophobicContact CG-CG2 4.37Å; V74-F140 HydrophobicContact CG1-CZ 4.34Å; V74-F140 HydrophobicContact CG2-CD1 4.24Å; V74-F140 HydrophobicContact CG2-CE1 3.69Å; V74-F140 HydrophobicContact CG2-CZ 4.11Å; V74-T150 HydrophobicContact CG2-CG2 4.43Å; V74-T150 PolarHBondContact N-O 3.17Å; V74-F151 HydrophobicContact CB-CD1 3.72Å; V74-F151 HydrophobicContact CB-CE1 3.56Å; V74-F151 HydrophobicContact CB-CG 4.39Å; V74-F151 HydrophobicContact CB-CZ 4.09Å; V74-F151 HydrophobicContact CG1-CD1 3.94Å; V74-F151 HydrophobicContact CG1-CE1 3.52Å; V74-F151 HydrophobicContact CG1-CZ 4.3Å; V74-F151 HydrophobicContact CG2-CD1 4.49Å; V74-F151 HydrophobicContact CG2-CE1 3.98Å; V74-F151 HydrophobicContact CG2-CZ 4Å | ||
| 75 | I | 97.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 54 Ų | 54 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | trans | -86.5 | 119.3 | -175.6 | -51.1 | -50.7 | 0 | 0 | 0 | 109.7 | A73 P152 D154 F313 A315 F318 | A73-I75 HydrophobicContact CB-CD1 3.77Å; I75-P152 HydrophobicContact CD1-CG 3.51Å; I75-D154 HydrophobicContact CG2-CB 4.41Å; I75-F313 HydrophobicContact CD1-CB 3.86Å; I75-F313 WeakPolarHBondContact CD1-O 3.25Å; I75-A315 HydrophobicContact CG2-CB 3.97Å; I75-F318 HydrophobicContact CB-CE2 4.19Å; I75-F318 HydrophobicContact CG1-CE2 3.97Å; I75-F318 HydrophobicContact CG2-CD2 4.47Å; I75-F318 HydrophobicContact CG2-CE2 4.49Å | ||
| 76 | C | 95.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | trans | -143.5 | 147.8 | -179.1 | -70.3 | 0 | 0 | 0 | 0 | 110.4 | A80 R81 | C76-A80 HydrophobicContact CB-CB 4.04Å; C76-R81 HydrophobicContact CB-CB 3.8Å | ||
| 77 | D | 95 | Very high | 94.7 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | trans | -68.4 | 170.3 | 161.4 | 78.7 | -3.8 | 0 | 0 | 0 | 110.4 | P79 A80 R81 H157 | D77-P79 WeakPolarHBondContact OD1-CD 3.35Å; D77-A80 PolarHBondContact O-N 3.42Å; D77-A80 WeakPolarHBondContact OD1-CB 3.17Å; D77-A80 PolarHBondContact OD1-N 3.37Å; D77-R81 VanDerWaalsContact O-CB 3.25Å; D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-H157 HydrophobicContact CB-CB 4.3Å | ||
| 78 | A | 95.2 | Very high | 95 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 12% | 0.116 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S82 H90 Y292 | A78-S82 PolarHBondContact O-N 3.07Å; A78-S82 VanDerWaalsContact O-N 3.13Å; A78-S82 PolarHBondContact O-OG 3.14Å; A78-H90 HydrophobicContact CB-CB 4.02Å; A78-Y292 HydrophobicContact CB-CE1 3.88Å |
| 79 | P | 93.7 | Very high | 95.2 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 172.4 | -24.6 | 35 | 0 | 0 | 0 | 114 | D77 R81 S82 D83 | D77-P79 WeakPolarHBondContact OD1-CD 3.35Å; P79-R81 VanDerWaalsContact C-N 3.29Å; P79-R81 PolarHBondContact O-N 2.93Å; P79-S82 PolarHBondContact O-N 2.95Å; P79-S82 PolarHBondContact O-OG 3.16Å; P79-D83 PolarHBondContact O-N 2.94Å; P79-D83 VanDerWaalsContact O-N 3.08Å |
| 80 | A | 92.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | C76 D77 S82 D83 V84 | C76-A80 HydrophobicContact CB-CB 4.04Å; D77-A80 PolarHBondContact O-N 3.42Å; D77-A80 WeakPolarHBondContact OD1-CB 3.17Å; D77-A80 PolarHBondContact OD1-N 3.37Å; A80-S82 VanDerWaalsContact C-N 3.34Å; A80-S82 PolarHBondContact O-N 3.16Å; A80-D83 PolarHBondContact O-N 2.91Å; A80-V84 WeakPolarHBondContact O-CB 3.36Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 2.8Å |
| 81 | R | 95.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.3 | -178.6 | 166.8 | 53.6 | -116.7 | -10.9 | 111.7 | C76 D77 P79 D83 R85 D97 P152 Y292 | C76-R81 HydrophobicContact CB-CB 3.8Å; D77-R81 VanDerWaalsContact O-CB 3.25Å; D77-R81 WeakPolarHBondContact O-CB 3.43Å; D77-R81 PolarHBondContact O-N 3.4Å; P79-R81 VanDerWaalsContact C-N 3.29Å; P79-R81 PolarHBondContact O-N 2.93Å; R81-D83 VanDerWaalsContact C-N 3.34Å; R81-R85 VanDerWaalsContact CG-CD 3.49Å; R81-R85 HydrophobicContact CG-CG 4.25Å; R81-R85 VanDerWaalsContact O-CB 3.27Å; R81-R85 WeakPolarHBondContact O-CB 3.32Å; R81-R85 VanDerWaalsContact O-CG 3.31Å; R81-R85 WeakPolarHBondContact O-CG 3.21Å; R81-R85 PolarHBondContact O-N 3Å; R81-D97 IonicContact CZ-OD2 3.54Å; R81-D97 IonicContact NE-OD2 2.83Å; R81-D97 PolarHBondContact NE-OD2 2.87Å; R81-D97 IonicContact NH2-OD2 3.79Å; R81-D97 PolarHBondContact NH2-OD2 3.03Å; R81-P152 PolarHBondContact NH1-O 3.02Å; R81-Y292 PolarHBondContact NH2-OH 3.41Å |
| 82 | S | 95.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | A78 P79 A80 Y86 T87 | A78-S82 PolarHBondContact O-N 3.07Å; A78-S82 VanDerWaalsContact O-N 3.13Å; A78-S82 PolarHBondContact O-OG 3.14Å; P79-S82 PolarHBondContact O-N 2.95Å; P79-S82 PolarHBondContact O-OG 3.16Å; A80-S82 VanDerWaalsContact C-N 3.34Å; A80-S82 PolarHBondContact O-N 3.16Å; S82-Y86 WeakPolarHBondContact O-CA 3.38Å; S82-Y86 PolarHBondContact O-N 3.24Å; S82-T87 WeakPolarHBondContact CA-OG1 3.33Å; S82-T87 PolarHBondContact O-N 3.2Å |
| 83 | D | 92.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.4 | -43 | 178 | -67.7 | -16.8 | 0 | 0 | 0 | 111.1 | P79 A80 R81 Y86 | P79-D83 PolarHBondContact O-N 2.94Å; P79-D83 VanDerWaalsContact O-N 3.08Å; A80-D83 PolarHBondContact O-N 2.91Å; R81-D83 VanDerWaalsContact C-N 3.34Å; D83-Y86 WeakPolarHBondContact O-CD2 3.09Å; D83-Y86 PolarHBondContact O-N 3.42Å |
| 84 | V | 94.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | F39 A80 Y86 S138 F140 F151 | F39-V84 HydrophobicContact CD1-CB 4.32Å; F39-V84 HydrophobicContact CD1-CG1 4.26Å; F39-V84 HydrophobicContact CD1-CG2 4.07Å; F39-V84 HydrophobicContact CD2-CG2 3.87Å; F39-V84 HydrophobicContact CE1-CB 4.32Å; F39-V84 HydrophobicContact CE1-CG1 3.92Å; F39-V84 HydrophobicContact CE1-CG2 3.91Å; F39-V84 HydrophobicContact CE2-CG2 3.68Å; F39-V84 HydrophobicContact CG-CG2 4.07Å; F39-V84 HydrophobicContact CZ-CG1 4.34Å; F39-V84 HydrophobicContact CZ-CG2 3.7Å; A80-V84 WeakPolarHBondContact O-CB 3.36Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 2.8Å; V84-Y86 VanDerWaalsContact C-N 3.35Å; V84-S138 VanDerWaalsContact O-CB 3.27Å; V84-S138 WeakPolarHBondContact O-CB 3.4Å; V84-S138 PolarHBondContact O-OG 3.12Å; V84-F140 HydrophobicContact CG1-CD2 3.53Å; V84-F140 HydrophobicContact CG1-CE2 3.36Å; V84-F140 HydrophobicContact CG1-CZ 4.38Å; V84-F151 HydrophobicContact CG1-CE1 3.66Å; V84-F151 HydrophobicContact CG1-CZ 4.2Å |
| 85 | R | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.5 | -178.2 | -64.2 | 175.5 | 74.5 | -151.8 | 7.9 | 113.7 | R81 T87 D97 F125 M147 F151 | R81-R85 VanDerWaalsContact CG-CD 3.49Å; R81-R85 HydrophobicContact CG-CG 4.25Å; R81-R85 VanDerWaalsContact O-CB 3.27Å; R81-R85 WeakPolarHBondContact O-CB 3.32Å; R81-R85 VanDerWaalsContact O-CG 3.31Å; R81-R85 WeakPolarHBondContact O-CG 3.21Å; R81-R85 PolarHBondContact O-N 3Å; R85-T87 VanDerWaalsContact C-N 3.31Å; R85-T87 HydrophobicContact CB-CG2 4.01Å; R85-T87 PolarHBondContact O-N 3.01Å; R85-D97 VanDerWaalsContact NH1-CB 3.31Å; R85-D97 VanDerWaalsContact NH1-CG 3.29Å; R85-D97 IonicContact NH1-OD1 3.7Å; R85-D97 PolarHBondContact NH1-OD1 3.48Å; R85-F125 HydrophobicContact CB-CZ 4.14Å; R85-F125 VanDerWaalsContact NH2-CE2 3.31Å; R85-M147 PolarHBondContact NE-O 3.36Å; R85-M147 PolarHBondContact NH2-O 2.64Å; R85-F151 HydrophobicContact CG-CD1 3.71Å; R85-F151 HydrophobicContact CG-CD2 4.33Å; R85-F151 HydrophobicContact CG-CE1 3.73Å; R85-F151 HydrophobicContact CG-CE2 4.36Å; R85-F151 HydrophobicContact CG-CG 4.02Å; R85-F151 HydrophobicContact CG-CZ 4.07Å |
| 86 | Y | 95.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 30.8 Ų | 30.8 | 14% | 0.137 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 47.1 | -173.9 | -77.1 | -106.4 | 0 | 0 | 0 | 112.6 | F39 N40 S82 D83 V84 K135 | F39-Y86 HydrophobicContact CB-CE2 4.4Å; F39-Y86 PolarHBondContact N-OH 3.19Å; N40-Y86 HydrophobicContact CB-CE2 4.35Å; N40-Y86 VanDerWaalsContact CB-OH 3.24Å; N40-Y86 WeakPolarHBondContact CB-OH 3.44Å; N40-Y86 VanDerWaalsContact CG-CZ 3.46Å; N40-Y86 PolarHBondContact N-OH 2.91Å; N40-Y86 PolarHBondContact ND2-OH 3.46Å; N40-Y86 WeakPolarHBondContact OD1-CE2 3.13Å; S82-Y86 WeakPolarHBondContact O-CA 3.38Å; S82-Y86 PolarHBondContact O-N 3.24Å; D83-Y86 WeakPolarHBondContact O-CD2 3.09Å; D83-Y86 PolarHBondContact O-N 3.42Å; V84-Y86 VanDerWaalsContact C-N 3.35Å; Y86-K135 PolarHBondContact O-N 3.16Å |
| 87 | T | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -112.3 | 167.6 | 176.4 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | S82 R85 F125 H133 K135 | S82-T87 WeakPolarHBondContact CA-OG1 3.33Å; S82-T87 PolarHBondContact O-N 3.2Å; R85-T87 VanDerWaalsContact C-N 3.31Å; R85-T87 HydrophobicContact CB-CG2 4.01Å; R85-T87 PolarHBondContact O-N 3.01Å; T87-F125 HydrophobicContact CG2-CE2 3.63Å; T87-F125 HydrophobicContact CG2-CZ 3.84Å; T87-H133 CarbonylContact C-O 3.59Å; T87-H133 VanDerWaalsContact CA-O 3.27Å; T87-H133 WeakPolarHBondContact CA-O 3.45Å; T87-H133 WeakPolarHBondContact CB-O 3.17Å; T87-H133 WeakPolarHBondContact CG2-NE2 3.42Å; T87-K135 WeakPolarHBondContact O-CD 3.39Å; T87-K135 WeakPolarHBondContact O-CE 3.41Å; T87-K135 PolarHBondContact O-NZ 3.03Å |
| 88 | V | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | trans | -63.8 | 150.4 | 169.1 | -62.4 | 0 | 0 | 0 | 0 | 111 | A92 V94 I132 H133 K135 | V88-A92 HydrophobicContact CB-CB 3.59Å; V88-A92 HydrophobicContact CG1-CB 4.48Å; V88-A92 HydrophobicContact CG2-CB 3.56Å; V88-V94 HydrophobicContact CG2-CG2 4Å; V88-V94 WeakPolarHBondContact CG2-O 3.4Å; V88-I132 WeakPolarHBondContact CG1-O 3.25Å; V88-H133 PolarHBondContact N-O 3.26Å; V88-K135 HydrophobicContact CG1-CG 4.49Å | ||
| 89 | N | 95.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 27.2 Ų | 27.2 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | trans | -66.8 | 158.8 | -176.7 | -62.7 | 13.3 | 0 | 0 | 0 | 110.5 | N91 A92 K135 | N89-N91 WeakPolarHBondContact CB-OD1 3.31Å; N89-N91 PolarHBondContact O-N 2.65Å; N89-A92 WeakPolarHBondContact O-CB 3.37Å; N89-A92 PolarHBondContact O-N 3.33Å; N89-K135 PolarHBondContact OD1-NZ 2.72Å | ||
| 90 | H | 93.5 | Very high | 95.8 | Very high | 64 Ų | 64 | 27.2 Ų | 27.2 | 30% | 0.296 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -19.1 | 178.6 | 66.4 | -88.9 | 0 | 0 | 0 | 115.6 | A78 Y292 | A78-H90 HydrophobicContact CB-CB 4.02Å; H90-Y292 HydrophobicContact CB-CD1 3.76Å; H90-Y292 HydrophobicContact CB-CD2 3.67Å; H90-Y292 HydrophobicContact CB-CE1 4.03Å; H90-Y292 HydrophobicContact CB-CE2 3.89Å; H90-Y292 HydrophobicContact CB-CG 3.6Å; H90-Y292 WeakPolarHBondContact O-CB 3.26Å |
| 91 | N | 95.2 | Very high | 96.1 | Very high | 85 Ų | 85 | 26.5 Ų | 26.5 | 46% | 0.455 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 7.9 | 177.6 | 68.8 | -8.2 | 0 | 0 | 0 | 114 | N89 M110 | N89-N91 WeakPolarHBondContact CB-OD1 3.31Å; N89-N91 PolarHBondContact O-N 2.65Å; N91-M110 HydrophobicContact CB-CB 4.49Å; N91-M110 WeakPolarHBondContact O-CB 3.22Å; N91-M110 VanDerWaalsContact O-CG 3.3Å; N91-M110 WeakPolarHBondContact O-CG 3.22Å |
| 92 | A | 96.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -81.8 | 161.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V88 N89 V94 G95 | V88-A92 HydrophobicContact CB-CB 3.59Å; V88-A92 HydrophobicContact CG1-CB 4.48Å; V88-A92 HydrophobicContact CG2-CB 3.56Å; N89-A92 WeakPolarHBondContact O-CB 3.37Å; N89-A92 PolarHBondContact O-N 3.33Å; A92-V94 PolarHBondContact O-N 2.75Å; A92-G95 PolarHBondContact O-N 3.27Å |
| 93 | K | 97.1 | Very high | 96.2 | Very high | 129 Ų | 129 | 30.4 Ų | 30.4 | 56% | 0.561 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.1 | 178.3 | -171 | -178.8 | 178.2 | -179.2 | 0 | 111.9 | N102 G103 M110 | K93-N102 CarbonylContact O-C 3.57Å; K93-G103 WeakPolarHBondContact CG-O 3.32Å; K93-G103 WeakPolarHBondContact O-CA 3.42Å; K93-G103 PolarHBondContact O-N 3.33Å; K93-M110 HydrophobicContact CB-CE 4.4Å |
| 94 | V | 97.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 42.3 | 175.5 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | V88 A92 C96 N102 I132 H133 | V88-V94 HydrophobicContact CG2-CG2 4Å; V88-V94 WeakPolarHBondContact CG2-O 3.4Å; A92-V94 PolarHBondContact O-N 2.75Å; V94-C96 VanDerWaalsContact C-N 3.33Å; V94-C96 PolarHBondContact O-N 3.19Å; V94-N102 VanDerWaalsContact CG1-OD1 3.23Å; V94-N102 WeakPolarHBondContact CG1-OD1 3.45Å; V94-I132 HydrophobicContact CB-CD1 4.44Å; V94-I132 HydrophobicContact CG1-CD1 3.59Å; V94-I132 HydrophobicContact CG1-CG1 4.19Å; V94-I132 HydrophobicContact CG2-CB 4.29Å; V94-I132 HydrophobicContact CG2-CD1 4Å; V94-I132 HydrophobicContact CG2-CG1 3.9Å; V94-I132 WeakPolarHBondContact CG2-O 3.37Å; V94-H133 HydrophobicContact CG2-CB 4.12Å; V94-H133 PolarHBondContact O-ND1 3.29Å |
| 95 | G | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -77.1 | -6.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A92 Y292 | A92-G95 PolarHBondContact O-N 3.27Å; G95-Y292 VanDerWaalsContact O-CE2 3.31Å; G95-Y292 WeakPolarHBondContact O-CE2 3.47Å | ||
| 96 | C | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -74.8 | 128.7 | -180 | -172 | 0 | 0 | 0 | 0 | 111.4 | V94 R98 V101 F112 R120 H133 H295 | V94-C96 VanDerWaalsContact C-N 3.33Å; V94-C96 PolarHBondContact O-N 3.19Å; C96-R98 VanDerWaalsContact C-N 3.31Å; C96-V101 HydrophobicContact CB-CG1 3.49Å; C96-V101 VanDerWaalsContact CB-CG1 3.49Å; C96-F112 HydrophobicContact CB-CE1 4.43Å; C96-R120 PolarHBondContact O-NE 3.2Å; C96-R120 PolarHBondContact O-NH2 3.28Å; C96-H133 PolarHBondContact O-CE1 2.72Å; C96-H295 PolarHBondContact SG-NE2 3.47Å | ||
| 97 | D | 95.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -76.6 | -17.9 | -179.1 | -74.7 | -52.3 | 0 | 0 | 0 | 113.5 | R81 R85 Y292 | R81-D97 IonicContact CZ-OD2 3.54Å; R81-D97 IonicContact NE-OD2 2.83Å; R81-D97 PolarHBondContact NE-OD2 2.87Å; R81-D97 IonicContact NH2-OD2 3.79Å; R81-D97 PolarHBondContact NH2-OD2 3.03Å; R85-D97 VanDerWaalsContact NH1-CB 3.31Å; R85-D97 VanDerWaalsContact NH1-CG 3.29Å; R85-D97 IonicContact NH1-OD1 3.7Å; R85-D97 PolarHBondContact NH1-OD1 3.48Å; D97-Y292 PolarHBondContact OD2-OH 3.38Å |
| 98 | R | 96.5 | Very high | 96.3 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -113.5 | -27.7 | -167.2 | -68.3 | -81.5 | -178.3 | -111.8 | -8.5 | 113.9 | C96 L119 R120 I148 F151 P152 L153 H299 D303 | C96-R98 VanDerWaalsContact C-N 3.31Å; R98-L119 CarbonylContact O-C 3.57Å; R98-L119 VanDerWaalsContact O-CA 3.32Å; R98-L119 WeakPolarHBondContact O-CA 3.39Å; R98-R120 PolarHBondContact O-N 3.34Å; R98-I148 VanDerWaalsContact NH1-C 3.28Å; R98-I148 PolarHBondContact NH1-O 3.07Å; R98-F151 PolarHBondContact NH2-O 2.6Å; R98-P152 VanDerWaalsContact NH2-CA 3.32Å; R98-L153 HydrophobicContact CG-CD1 4.08Å; R98-H299 HydrophobicContact CB-CB 3.9Å; R98-H299 VanDerWaalsContact CB-CD2 3.47Å; R98-H299 WeakPolarHBondContact CB-CD2 3.5Å; R98-H299 VanDerWaalsContact CB-CG 3.44Å; R98-H299 HydrophobicContact CG-CB 3.61Å; R98-D303 IonicContact CZ-OD1 3.31Å; R98-D303 VanDerWaalsContact CZ-OD1 3.22Å; R98-D303 IonicContact CZ-OD2 3.34Å; R98-D303 IonicContact NE-OD1 3.71Å; R98-D303 IonicContact NE-OD2 2.69Å; R98-D303 IonicContact NH2-OD1 3.22Å; R98-D303 PolarHBondContact NH2-OD1 3.5Å; R98-D303 IonicContact NH2-OD2 3.02Å; R98-D303 PolarHBondContact NH2-OD2 2.76Å |
| 99 | C | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 164.8 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 112 | V101 T118 L119 H295 | C99-V101 PolarHBondContact O-N 3.16Å; C99-V101 WeakPolarHBondContact SG-CG1 3.47Å; C99-T118 VanDerWaalsContact CA-O 3.26Å; C99-T118 WeakPolarHBondContact CA-O 3.43Å; C99-T118 WeakPolarHBondContact CB-O 3.45Å; C99-L119 HydrophobicContact CB-CD2 4.03Å; C99-H295 PolarHBondContact SG-NE2 3.3Å; C99-H295 VanDerWaalsContact SG-NE2 3.44Å |
| 100 | V | 97.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | trans | -84.5 | 16.9 | -173.7 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | N102 T118 R120 Q130 | V100-N102 PolarHBondContact O-N 3.16Å; V100-T118 PolarHBondContact N-O 3.12Å; V100-R120 HydrophobicContact CG1-CG 4.45Å; V100-Q130 PolarHBondContact O-NE2 3.16Å | ||
| 101 | V | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | trans | -53.9 | 135.6 | -177.5 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | C96 C99 F112 Y117 | C96-V101 HydrophobicContact CB-CG1 3.49Å; C96-V101 VanDerWaalsContact CB-CG1 3.49Å; C99-V101 PolarHBondContact O-N 3.16Å; C99-V101 WeakPolarHBondContact SG-CG1 3.47Å; V101-F112 HydrophobicContact CG1-CD1 3.59Å; V101-F112 HydrophobicContact CG1-CE1 4.24Å; V101-F112 HydrophobicContact CG1-CG 4.46Å; V101-F112 HydrophobicContact CG2-CB 4.41Å; V101-F112 HydrophobicContact CG2-CD1 4.22Å; V101-Y117 HydrophobicContact CB-CD1 3.86Å; V101-Y117 HydrophobicContact CB-CD2 3.78Å; V101-Y117 HydrophobicContact CB-CE1 4.01Å; V101-Y117 HydrophobicContact CB-CE2 3.92Å; V101-Y117 HydrophobicContact CB-CG 3.74Å; V101-Y117 HydrophobicContact CG2-CD1 4.05Å; V101-Y117 HydrophobicContact CG2-CD2 4Å; V101-Y117 HydrophobicContact CG2-CE1 3.65Å; V101-Y117 HydrophobicContact CG2-CE2 3.58Å; V101-Y117 HydrophobicContact CG2-CG 4.21Å | ||
| 102 | N | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | trans | -91.3 | 108.9 | 167.7 | -74.5 | -41.2 | 0 | 0 | 0 | 109.4 | K93 V94 V100 | K93-N102 CarbonylContact O-C 3.57Å; V94-N102 VanDerWaalsContact CG1-OD1 3.23Å; V94-N102 WeakPolarHBondContact CG1-OD1 3.45Å; V100-N102 PolarHBondContact O-N 3.16Å | ||
| 103 | G | 97.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | trans | -66.9 | 163.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K93 T111 | K93-G103 WeakPolarHBondContact CG-O 3.32Å; K93-G103 WeakPolarHBondContact O-CA 3.42Å; K93-G103 PolarHBondContact O-N 3.33Å; G103-T111 CarbonylContact C-O 3.54Å; G103-T111 WeakPolarHBondContact CA-O 3.46Å | ||
| 104 | R | 97.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 41.2 Ų | 41.2 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.8 | 176.8 | 60.2 | -179.4 | -178.6 | 179.2 | 0.6 | 110.2 | L106 T111 | R104-L106 HydrophobicContact CG-CD1 4.4Å; R104-L106 HydrophobicContact CG-CG 4.18Å; R104-T111 WeakPolarHBondContact CG-OG1 3.36Å; R104-T111 PolarHBondContact N-O 2.78Å; R104-T111 PolarHBondContact O-N 2.93Å; R104-T111 PolarHBondContact O-OG1 2.86Å |
| 105 | R | 97 | Very high | 96.3 | Very high | 170 Ų | 170 | 42.6 Ų | 42.6 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.5 | 173.8 | -76.4 | -173.9 | 176.8 | -93.7 | 3.3 | 110 | R109 M110 | R105-R109 CarbonylContact C-O 3.51Å; R105-R109 VanDerWaalsContact CA-O 3.24Å; R105-R109 WeakPolarHBondContact CA-O 3.47Å; R105-M110 HydrophobicContact CG-CE 3.76Å |
| 106 | L | 96.5 | Very high | 96.2 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.1 | 173.3 | -64.3 | 179.6 | 0 | 0 | 0 | 108.2 | R104 G108 R109 T111 E288 | R104-L106 HydrophobicContact CG-CD1 4.4Å; R104-L106 HydrophobicContact CG-CG 4.18Å; L106-G108 VanDerWaalsContact C-N 3.27Å; L106-G108 PolarHBondContact O-N 2.8Å; L106-R109 PolarHBondContact N-O 2.86Å; L106-R109 WeakPolarHBondContact O-CB 3.21Å; L106-R109 PolarHBondContact O-N 3.36Å; L106-T111 HydrophobicContact CB-CG2 4.32Å; L106-E288 HydrophobicContact CB-CB 3.97Å |
| 107 | D | 93.7 | Very high | 96.1 | Very high | 130 Ų | 130 | 52.6 Ų | 52.6 | 70% | 0.695 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 46.4 | 179.8 | -165 | 34.8 | 0 | 0 | 0 | 113.7 | R109 E288 | D107-R109 PolarHBondContact O-N 3.03Å; D107-R109 VanDerWaalsContact O-N 3.12Å; D107-E288 HydrophobicContact CB-CB 4.18Å; D107-E288 HydrophobicContact CB-CG 4.47Å |
| 108 | G | 93.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -4.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L106 | L106-G108 VanDerWaalsContact C-N 3.27Å; L106-G108 PolarHBondContact O-N 2.8Å |
| 109 | R | 94.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 61 Ų | 61 | 32% | 0.317 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.3 | -175.7 | -60.3 | 167.7 | -170.3 | -177.8 | 2.4 | 111.3 | R105 L106 D107 T111 K166 N289 | R105-R109 CarbonylContact C-O 3.51Å; R105-R109 VanDerWaalsContact CA-O 3.24Å; R105-R109 WeakPolarHBondContact CA-O 3.47Å; L106-R109 PolarHBondContact N-O 2.86Å; L106-R109 WeakPolarHBondContact O-CB 3.21Å; L106-R109 PolarHBondContact O-N 3.36Å; D107-R109 PolarHBondContact O-N 3.03Å; D107-R109 VanDerWaalsContact O-N 3.12Å; R109-T111 HydrophobicContact CB-CG2 4.47Å; R109-K166 VanDerWaalsContact NH1-NZ 3.15Å; R109-N289 PolarHBondContact NH1-OD1 2.99Å |
| 110 | M | 97.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.1 | 167.1 | -174.2 | 60.3 | 65 | 0 | 0 | 109.6 | N91 K93 R105 F112 | N91-M110 HydrophobicContact CB-CB 4.49Å; N91-M110 WeakPolarHBondContact O-CB 3.22Å; N91-M110 VanDerWaalsContact O-CG 3.3Å; N91-M110 WeakPolarHBondContact O-CG 3.22Å; K93-M110 HydrophobicContact CB-CE 4.4Å; R105-M110 HydrophobicContact CG-CE 3.76Å; M110-F112 HydrophobicContact CG-CE2 4.19Å; M110-F112 HydrophobicContact CG-CZ 4.13Å |
| 111 | T | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.5 | -177.8 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | G103 R104 L106 R109 S287 E288 L290 | G103-T111 CarbonylContact C-O 3.54Å; G103-T111 WeakPolarHBondContact CA-O 3.46Å; R104-T111 WeakPolarHBondContact CG-OG1 3.36Å; R104-T111 PolarHBondContact N-O 2.78Å; R104-T111 PolarHBondContact O-N 2.93Å; R104-T111 PolarHBondContact O-OG1 2.86Å; L106-T111 HydrophobicContact CB-CG2 4.32Å; R109-T111 HydrophobicContact CB-CG2 4.47Å; T111-S287 WeakPolarHBondContact CG2-O 3.37Å; T111-E288 WeakPolarHBondContact CG2-O 3.12Å; T111-L290 CarbonylContact C-O 3.51Å; T111-L290 VanDerWaalsContact CA-O 3.26Å; T111-L290 WeakPolarHBondContact CA-O 3.49Å |
| 112 | F | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | trans | -118 | 111.1 | -178 | -62.6 | -86.4 | 0 | 0 | 0 | 108.2 | C96 V101 M110 L290 Y292 H295 | C96-F112 HydrophobicContact CB-CE1 4.43Å; V101-F112 HydrophobicContact CG1-CD1 3.59Å; V101-F112 HydrophobicContact CG1-CE1 4.24Å; V101-F112 HydrophobicContact CG1-CG 4.46Å; V101-F112 HydrophobicContact CG2-CB 4.41Å; V101-F112 HydrophobicContact CG2-CD1 4.22Å; M110-F112 HydrophobicContact CG-CE2 4.19Å; M110-F112 HydrophobicContact CG-CZ 4.13Å; F112-L290 PolarHBondContact N-O 2.94Å; F112-Y292 HydrophobicContact CE2-CD2 4.35Å; F112-H295 HydrophobicContact CB-CB 3.74Å; F112-H295 HydrophobicContact CD2-CB 4.37Å; F112-H295 HydrophobicContact CG-CB 4.31Å | ||
| 113 | P | 96.3 | Very high | 96.3 | Very high | 29 Ų | 29 | 65.2 Ų | 65.2 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | trans | -63.2 | 149.1 | -174.9 | 19.6 | -24.8 | 0 | 0 | 0 | 111.4 | Y117 | P113-Y117 WeakPolarHBondContact CG-OH 3.46Å; P113-Y117 VanDerWaalsContact O-CE2 3.29Å; P113-Y117 WeakPolarHBondContact O-CE2 3.48Å; P113-Y117 PolarHBondContact O-OH 2.72Å | ||
| 114 | N | 95.2 | Very high | 96.3 | Very high | 38 Ų | 38 | 67 Ų | 67 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -62.5 | 139.6 | 171.4 | -73.2 | -30.2 | 0 | 0 | 0 | 110.4 | L278 E282 | N114-L278 PolarHBondContact ND2-O 2.97Å; N114-L278 WeakPolarHBondContact OD1-CB 3.39Å; N114-E282 PolarHBondContact ND2-OE2 2.85Å |
| 115 | G | 93.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 166.2 | 169.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y117 | G115-Y117 WeakPolarHBondContact O-CD2 3.17Å; G115-Y117 WeakPolarHBondContact O-CE2 3.42Å |
| 116 | E | 93.5 | Very high | 96.4 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | trans | -94.8 | 124.6 | 168.8 | -61.6 | -167.2 | 153.6 | 0 | 0 | 108.3 | R275 | E116-R275 IonicContact OE1-CZ 2.77Å; E116-R275 IonicContact OE1-NH1 2.83Å; E116-R275 PolarHBondContact OE1-NH1 3.1Å | ||
| 117 | Y | 96 | Very high | 96.4 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 26% | 0.263 | 33% | 0.328 | S | S | . | . | trans | -125.6 | 146.3 | -176.8 | -56.8 | -76.5 | 0 | 0 | 0 | 109.3 | V101 P113 G115 L119 | V101-Y117 HydrophobicContact CB-CD1 3.86Å; V101-Y117 HydrophobicContact CB-CD2 3.78Å; V101-Y117 HydrophobicContact CB-CE1 4.01Å; V101-Y117 HydrophobicContact CB-CE2 3.92Å; V101-Y117 HydrophobicContact CB-CG 3.74Å; V101-Y117 HydrophobicContact CG2-CD1 4.05Å; V101-Y117 HydrophobicContact CG2-CD2 4Å; V101-Y117 HydrophobicContact CG2-CE1 3.65Å; V101-Y117 HydrophobicContact CG2-CE2 3.58Å; V101-Y117 HydrophobicContact CG2-CG 4.21Å; P113-Y117 WeakPolarHBondContact CG-OH 3.46Å; P113-Y117 VanDerWaalsContact O-CE2 3.29Å; P113-Y117 WeakPolarHBondContact O-CE2 3.48Å; P113-Y117 PolarHBondContact O-OH 2.72Å; G115-Y117 WeakPolarHBondContact O-CD2 3.17Å; G115-Y117 WeakPolarHBondContact O-CE2 3.42Å; Y117-L119 PolarHBondContact O-N 3.5Å | ||
| 118 | T | 97.3 | Very high | 96.6 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 66% | 0.656 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 127.5 | 172.8 | -49.1 | 0 | 0 | 0 | 0 | 109.8 | C99 V100 | C99-T118 VanDerWaalsContact CA-O 3.26Å; C99-T118 WeakPolarHBondContact CA-O 3.43Å; C99-T118 WeakPolarHBondContact CB-O 3.45Å; V100-T118 PolarHBondContact N-O 3.12Å |
| 119 | L | 97.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 146 | 175.5 | -61.6 | -178.8 | 0 | 0 | 0 | 109.9 | R98 C99 Y117 | R98-L119 CarbonylContact O-C 3.57Å; R98-L119 VanDerWaalsContact O-CA 3.32Å; R98-L119 WeakPolarHBondContact O-CA 3.39Å; C99-L119 HydrophobicContact CB-CD2 4.03Å; Y117-L119 PolarHBondContact O-N 3.5Å |
| 120 | R | 97.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 138.9 | 167.2 | -59.7 | -170.5 | -173.4 | -66.2 | -4.7 | 108.6 | C96 R98 V100 H133 I148 | C96-R120 PolarHBondContact O-NE 3.2Å; C96-R120 PolarHBondContact O-NH2 3.28Å; R98-R120 PolarHBondContact O-N 3.34Å; V100-R120 HydrophobicContact CG1-CG 4.45Å; R120-H133 PolarHBondContact NE-NE2 3.16Å; R120-H133 VanDerWaalsContact NH2-CG 3.26Å; R120-H133 PolarHBondContact NH2-ND1 2.75Å; R120-I148 HydrophobicContact CB-CD1 3.61Å; R120-I148 HydrophobicContact CB-CG1 4.13Å |
| 121 | T | 97.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | trans | -110.7 | 163.9 | 168.3 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | D123 T124 F125 | T121-D123 PolarHBondContact O-N 3.25Å; T121-T124 PolarHBondContact N-OG1 2.71Å; T121-T124 PolarHBondContact O-N 2.84Å; T121-T124 PolarHBondContact O-OG1 3.37Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.38Å; T121-T124 PolarHBondContact OG1-N 2.83Å; T121-T124 PolarHBondContact OG1-OG1 2.65Å; T121-F125 WeakPolarHBondContact O-CB 3.37Å; T121-F125 PolarHBondContact O-N 3.29Å | ||
| 122 | D | 97.7 | Very high | 96.7 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -51.8 | -45.6 | 172.3 | -174.9 | 58.8 | 0 | 0 | 0 | 112 | F125 R126 D146 M147 | D122-F125 WeakPolarHBondContact O-CB 3.44Å; D122-F125 PolarHBondContact O-N 2.52Å; D122-R126 WeakPolarHBondContact O-CB 3.49Å; D122-R126 WeakPolarHBondContact O-CG 3.42Å; D122-R126 PolarHBondContact O-N 3Å; D122-R126 IonicContact OD1-CZ 3.83Å; D122-R126 IonicContact OD1-NE 3.74Å; D122-R126 PolarHBondContact OD1-NE 2.74Å; D122-R126 IonicContact OD1-NH2 2.82Å; D122-R126 VanDerWaalsContact OD2-CD 3.28Å; D122-R126 WeakPolarHBondContact OD2-CD 3.39Å; D122-R126 IonicContact OD2-CZ 3.22Å; D122-R126 IonicContact OD2-NE 3.54Å; D122-R126 PolarHBondContact OD2-NE 2.91Å; D122-D146 HydrophobicContact CB-CB 4.47Å; D122-M147 WeakPolarHBondContact OD1-CB 3.43Å; D122-M147 PolarHBondContact OD1-N 3.02Å |
| 123 | D | 98 | Very high | 96.7 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -51.8 | 177.2 | -178.7 | 78.4 | 0 | 0 | 0 | 112.2 | T121 F125 R126 N127 | T121-D123 PolarHBondContact O-N 3.25Å; D123-F125 PolarHBondContact O-N 2.78Å; D123-R126 PolarHBondContact O-N 2.85Å; D123-N127 VanDerWaalsContact O-CB 3.29Å; D123-N127 WeakPolarHBondContact O-CB 3.43Å; D123-N127 PolarHBondContact O-N 3.05Å; D123-N127 PolarHBondContact O-ND2 3.24Å; D123-N127 VanDerWaalsContact O-ND2 3.17Å; D123-N127 PolarHBondContact OD1-ND2 2.93Å; D123-N127 PolarHBondContact OD2-ND2 2.95Å; D123-N127 VanDerWaalsContact OD2-ND2 3.16Å |
| 124 | T | 97.7 | Very high | 96.7 | Very high | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -26.9 | 179.5 | 61 | 0 | 0 | 0 | 0 | 112.9 | T121 Q128 T129 | T121-T124 PolarHBondContact N-OG1 2.71Å; T121-T124 PolarHBondContact O-N 2.84Å; T121-T124 PolarHBondContact O-OG1 3.37Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.38Å; T121-T124 PolarHBondContact OG1-N 2.83Å; T121-T124 PolarHBondContact OG1-OG1 2.65Å; T124-Q128 PolarHBondContact O-N 3.13Å; T124-T129 PolarHBondContact O-N 3.29Å; T124-T129 PolarHBondContact O-OG1 2.72Å |
| 125 | F | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.4 | -50.2 | 177.6 | -173.7 | -80.9 | 0 | 0 | 0 | 111.1 | R85 T87 T121 D122 D123 N127 Q128 H134 E141 M147 I148 | R85-F125 HydrophobicContact CB-CZ 4.14Å; R85-F125 VanDerWaalsContact NH2-CE2 3.31Å; T87-F125 HydrophobicContact CG2-CE2 3.63Å; T87-F125 HydrophobicContact CG2-CZ 3.84Å; T121-F125 WeakPolarHBondContact O-CB 3.37Å; T121-F125 PolarHBondContact O-N 3.29Å; D122-F125 WeakPolarHBondContact O-CB 3.44Å; D122-F125 PolarHBondContact O-N 2.52Å; D123-F125 PolarHBondContact O-N 2.78Å; F125-N127 VanDerWaalsContact C-N 3.35Å; F125-Q128 WeakPolarHBondContact O-CA 3.5Å; F125-Q128 PolarHBondContact O-N 3.27Å; F125-H134 AromaticContact CD2-CE1 3.61Å; F125-H134 AromaticContact CE2-CE1 3.66Å; F125-H134 AromaticContact CG-CE1 3.84Å; F125-H134 AromaticContact CZ-CE1 3.93Å; F125-H134 PolarHBondContact O-CE1 3.48Å; F125-E141 HydrophobicContact CE1-CG 4.41Å; F125-M147 HydrophobicContact CB-CB 4.41Å; F125-M147 HydrophobicContact CD1-CB 3.51Å; F125-M147 HydrophobicContact CD1-CE 4.39Å; F125-M147 HydrophobicContact CD1-CG 3.95Å; F125-M147 HydrophobicContact CE1-CB 3.95Å; F125-M147 HydrophobicContact CE1-CE 3.72Å; F125-M147 HydrophobicContact CE1-CG 4.23Å; F125-M147 HydrophobicContact CG-CB 3.96Å; F125-M147 HydrophobicContact CZ-CE 4.28Å; F125-I148 HydrophobicContact CB-CD1 3.98Å; F125-I148 HydrophobicContact CD2-CD1 3.85Å; F125-I148 HydrophobicContact CG-CD1 4.17Å |
| 126 | R | 97.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | -179.7 | -70.2 | 171.9 | 176.1 | -83.5 | 2.1 | 112.1 | D122 D123 Q128 E141 L143 I145 M147 | D122-R126 WeakPolarHBondContact O-CB 3.49Å; D122-R126 WeakPolarHBondContact O-CG 3.42Å; D122-R126 PolarHBondContact O-N 3Å; D122-R126 IonicContact OD1-CZ 3.83Å; D122-R126 IonicContact OD1-NE 3.74Å; D122-R126 PolarHBondContact OD1-NE 2.74Å; D122-R126 IonicContact OD1-NH2 2.82Å; D122-R126 VanDerWaalsContact OD2-CD 3.28Å; D122-R126 WeakPolarHBondContact OD2-CD 3.39Å; D122-R126 IonicContact OD2-CZ 3.22Å; D122-R126 IonicContact OD2-NE 3.54Å; D122-R126 PolarHBondContact OD2-NE 2.91Å; D123-R126 PolarHBondContact O-N 2.85Å; R126-Q128 PolarHBondContact O-N 2.91Å; R126-E141 PolarHBondContact NH1-O 2.98Å; R126-L143 PolarHBondContact NH2-O 2.75Å; R126-I145 PolarHBondContact NH2-O 3.17Å; R126-M147 HydrophobicContact CG-CG 4.38Å |
| 127 | N | 97.3 | Very high | 96.9 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.7 | 173.2 | -65.1 | -37 | 0 | 0 | 0 | 113.1 | D123 F125 T129 | D123-N127 VanDerWaalsContact O-CB 3.29Å; D123-N127 WeakPolarHBondContact O-CB 3.43Å; D123-N127 PolarHBondContact O-N 3.05Å; D123-N127 PolarHBondContact O-ND2 3.24Å; D123-N127 VanDerWaalsContact O-ND2 3.17Å; D123-N127 PolarHBondContact OD1-ND2 2.93Å; D123-N127 PolarHBondContact OD2-ND2 2.95Å; D123-N127 VanDerWaalsContact OD2-ND2 3.16Å; F125-N127 VanDerWaalsContact C-N 3.35Å; N127-T129 PolarHBondContact O-N 3.14Å; N127-T129 VanDerWaalsContact O-N 3.12Å |
| 128 | Q | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 41.1 | -179.1 | -57.5 | -171.9 | -12.5 | 0 | 0 | 113.7 | T124 F125 R126 Q130 Y131 H134 G136 H137 | T124-Q128 PolarHBondContact O-N 3.13Å; F125-Q128 WeakPolarHBondContact O-CA 3.5Å; F125-Q128 PolarHBondContact O-N 3.27Å; R126-Q128 PolarHBondContact O-N 2.91Å; Q128-Q130 CarbonylContact O-C 3.48Å; Q128-Q130 PolarHBondContact O-N 3.05Å; Q128-Y131 WeakPolarHBondContact O-CA 3.4Å; Q128-Y131 PolarHBondContact O-N 3.08Å; Q128-H134 HydrophobicContact CG-CB 4.21Å; Q128-G136 PolarHBondContact NE2-O 3.32Å; Q128-G136 VanDerWaalsContact NE2-O 3.12Å; Q128-H137 PolarHBondContact NE2-CE1 3.07Å; Q128-H137 PolarHBondContact NE2-ND1 3.42Å; Q128-H137 PolarHBondContact NE2-NE2 3.43Å |
| 129 | T | 96.8 | Very high | 96.8 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -55.3 | -31.1 | -171.6 | -51.2 | 0 | 0 | 0 | 0 | 112.7 | T124 N127 | T124-T129 PolarHBondContact O-N 3.29Å; T124-T129 PolarHBondContact O-OG1 2.72Å; N127-T129 PolarHBondContact O-N 3.14Å; N127-T129 VanDerWaalsContact O-N 3.12Å |
| 130 | Q | 95.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -103.6 | 73.8 | 169.1 | -166.3 | 179.1 | 33.8 | 0 | 0 | 110.7 | V100 Q128 I132 H133 H134 | V100-Q130 PolarHBondContact O-NE2 3.16Å; Q128-Q130 CarbonylContact O-C 3.48Å; Q128-Q130 PolarHBondContact O-N 3.05Å; Q130-I132 HydrophobicContact CG-CG1 3.98Å; Q130-I132 PolarHBondContact O-N 3.02Å; Q130-H133 HydrophobicContact CB-CB 4.46Å; Q130-H133 HydrophobicContact CG-CB 4.45Å; Q130-H133 VanDerWaalsContact O-CB 3.26Å; Q130-H133 WeakPolarHBondContact O-CB 3.23Å; Q130-H133 PolarHBondContact O-N 3.35Å; Q130-H134 PolarHBondContact O-CD2 2.96Å |
| 131 | Y | 96.2 | Very high | 96.7 | Very high | 182 Ų | 182 | 58.5 Ų | 58.5 | 71% | 0.714 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -47 | -38.5 | -171.7 | 77.2 | -85.4 | 0 | 0 | 0 | 114.8 | Q128 H133 H134 | Q128-Y131 WeakPolarHBondContact O-CA 3.4Å; Q128-Y131 PolarHBondContact O-N 3.08Å; Y131-H133 PolarHBondContact O-N 3.12Å; Y131-H133 VanDerWaalsContact O-N 3.12Å; Y131-H134 PolarHBondContact O-N 3.26Å |
| 132 | I | 96.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 40% | 0.395 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -64.3 | -13.5 | 178.1 | 54.4 | 165.8 | 0 | 0 | 0 | 115 | V88 V94 Q130 | V88-I132 WeakPolarHBondContact CG1-O 3.25Å; V94-I132 HydrophobicContact CB-CD1 4.44Å; V94-I132 HydrophobicContact CG1-CD1 3.59Å; V94-I132 HydrophobicContact CG1-CG1 4.19Å; V94-I132 HydrophobicContact CG2-CB 4.29Å; V94-I132 HydrophobicContact CG2-CD1 4Å; V94-I132 HydrophobicContact CG2-CG1 3.9Å; V94-I132 WeakPolarHBondContact CG2-O 3.37Å; Q130-I132 HydrophobicContact CG-CG1 3.98Å; Q130-I132 PolarHBondContact O-N 3.02Å |
| 133 | H | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -82 | -25 | 173.2 | 179.1 | 67.4 | 0 | 0 | 0 | 112.3 | T87 V88 V94 C96 R120 Q130 Y131 | T87-H133 CarbonylContact C-O 3.59Å; T87-H133 VanDerWaalsContact CA-O 3.27Å; T87-H133 WeakPolarHBondContact CA-O 3.45Å; T87-H133 WeakPolarHBondContact CB-O 3.17Å; T87-H133 WeakPolarHBondContact CG2-NE2 3.42Å; V88-H133 PolarHBondContact N-O 3.26Å; V94-H133 HydrophobicContact CG2-CB 4.12Å; V94-H133 PolarHBondContact O-ND1 3.29Å; C96-H133 PolarHBondContact O-CE1 2.72Å; R120-H133 PolarHBondContact NE-NE2 3.16Å; R120-H133 VanDerWaalsContact NH2-CG 3.26Å; R120-H133 PolarHBondContact NH2-ND1 2.75Å; Q130-H133 HydrophobicContact CB-CB 4.46Å; Q130-H133 HydrophobicContact CG-CB 4.45Å; Q130-H133 VanDerWaalsContact O-CB 3.26Å; Q130-H133 WeakPolarHBondContact O-CB 3.23Å; Q130-H133 PolarHBondContact O-N 3.35Å; Y131-H133 PolarHBondContact O-N 3.12Å; Y131-H133 VanDerWaalsContact O-N 3.12Å |
| 134 | H | 97.3 | Very high | 96.2 | Very high | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 149 | -173.1 | -60.7 | -94.1 | 0 | 0 | 0 | 111.1 | F125 Q128 Q130 Y131 | F125-H134 AromaticContact CD2-CE1 3.61Å; F125-H134 AromaticContact CE2-CE1 3.66Å; F125-H134 AromaticContact CG-CE1 3.84Å; F125-H134 AromaticContact CZ-CE1 3.93Å; F125-H134 PolarHBondContact O-CE1 3.48Å; Q128-H134 HydrophobicContact CG-CB 4.21Å; Q130-H134 PolarHBondContact O-CD2 2.96Å; Y131-H134 PolarHBondContact O-N 3.26Å |
| 135 | K | 95 | Very high | 96.1 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -116.9 | -1.6 | 174.3 | -68.8 | -179.4 | -178.1 | 146.8 | 0 | 112.6 | Y86 T87 V88 N89 | Y86-K135 PolarHBondContact O-N 3.16Å; T87-K135 WeakPolarHBondContact O-CD 3.39Å; T87-K135 WeakPolarHBondContact O-CE 3.41Å; T87-K135 PolarHBondContact O-NZ 3.03Å; V88-K135 HydrophobicContact CG1-CG 4.49Å; N89-K135 PolarHBondContact OD1-NZ 2.72Å |
| 136 | G | 94.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 154.5 | -168.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q128 | Q128-G136 PolarHBondContact NE2-O 3.32Å; Q128-G136 VanDerWaalsContact NE2-O 3.12Å |
| 137 | H | 95.1 | Very high | 96.1 | Very high | 108 Ų | 108 | 54.4 Ų | 54.4 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | trans | -103.6 | 134.5 | 175 | -69.7 | -82.3 | 0 | 0 | 0 | 111.1 | N40 Q128 E141 | N40-H137 PolarHBondContact ND2-O 3.33Å; Q128-H137 PolarHBondContact NE2-CE1 3.07Å; Q128-H137 PolarHBondContact NE2-ND1 3.42Å; Q128-H137 PolarHBondContact NE2-NE2 3.43Å; H137-E141 VanDerWaalsContact CA-OE1 3.25Å; H137-E141 WeakPolarHBondContact CA-OE1 3.47Å; H137-E141 IonicContact CE1-OE2 3.92Å; H137-E141 IonicContact CG-OE2 2.68Å; H137-E141 IonicContact ND1-OE1 3.9Å; H137-E141 IonicContact ND1-OE2 2.87Å; H137-E141 PolarHBondContact ND1-OE2 3.48Å | ||
| 138 | S | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | trans | -79.8 | 141.1 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | V84 F140 E141 | V84-S138 VanDerWaalsContact O-CB 3.27Å; V84-S138 WeakPolarHBondContact O-CB 3.4Å; V84-S138 PolarHBondContact O-OG 3.12Å; S138-F140 PolarHBondContact O-N 3.09Å; S138-F140 VanDerWaalsContact O-N 3.15Å; S138-F140 WeakPolarHBondContact OG-CB 3.48Å; S138-F140 PolarHBondContact OG-N 3.46Å; S138-E141 PolarHBondContact N-OE1 3.45Å; S138-E141 VanDerWaalsContact O-CB 3.27Å; S138-E141 WeakPolarHBondContact O-CB 3.17Å; S138-E141 PolarHBondContact O-N 3.4Å | ||
| 139 | L | 95.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -59.6 | -22.7 | 169.6 | -76.5 | 179.4 | 0 | 0 | 0 | 112.8 | N40 A44 I47 E141 S142 | N40-L139 HydrophobicContact CB-CD1 3.82Å; N40-L139 HydrophobicContact CB-CG 3.88Å; N40-L139 VanDerWaalsContact O-CD1 3.23Å; N40-L139 WeakPolarHBondContact O-CD1 3.46Å; N40-L139 PolarHBondContact OD1-N 2.77Å; A44-L139 HydrophobicContact CB-CD1 4.05Å; I47-L139 HydrophobicContact CB-CB 4.47Å; I47-L139 HydrophobicContact CD1-CB 3.47Å; I47-L139 VanDerWaalsContact CD1-CB 3.47Å; I47-L139 HydrophobicContact CD1-CD1 4.39Å; I47-L139 HydrophobicContact CG2-CB 4.13Å; L139-E141 PolarHBondContact O-N 2.86Å; L139-S142 WeakPolarHBondContact O-CB 3.29Å; L139-S142 PolarHBondContact O-N 2.95Å; L139-S142 PolarHBondContact O-OG 3.45Å |
| 140 | F | 96.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -62 | -23.6 | 172 | -80.4 | -82.6 | 0 | 0 | 0 | 113 | F39 I47 L71 V74 V84 S138 S142 L143 I145 M147 F151 | F39-F140 HydrophobicContact CE1-CD2 4.45Å; F39-F140 AromaticContact CE1-CE2 3.78Å; F39-F140 HydrophobicContact CE1-CE2 3.78Å; F39-F140 HydrophobicContact CZ-CE2 4.35Å; I47-F140 HydrophobicContact CD1-CD2 3.76Å; I47-F140 HydrophobicContact CD1-CE2 3.74Å; I47-F140 HydrophobicContact CD1-CG 4.25Å; I47-F140 HydrophobicContact CD1-CZ 4.19Å; I47-F140 HydrophobicContact CG1-CE1 4.47Å; I47-F140 HydrophobicContact CG1-CE2 4.29Å; I47-F140 HydrophobicContact CG1-CZ 4.24Å; L71-F140 HydrophobicContact CD2-CD1 4.19Å; L71-F140 HydrophobicContact CD2-CE1 3.87Å; V74-F140 HydrophobicContact CG1-CZ 4.34Å; V74-F140 HydrophobicContact CG2-CD1 4.24Å; V74-F140 HydrophobicContact CG2-CE1 3.69Å; V74-F140 HydrophobicContact CG2-CZ 4.11Å; V84-F140 HydrophobicContact CG1-CD2 3.53Å; V84-F140 HydrophobicContact CG1-CE2 3.36Å; V84-F140 HydrophobicContact CG1-CZ 4.38Å; S138-F140 PolarHBondContact O-N 3.09Å; S138-F140 VanDerWaalsContact O-N 3.15Å; S138-F140 WeakPolarHBondContact OG-CB 3.48Å; S138-F140 PolarHBondContact OG-N 3.46Å; F140-S142 PolarHBondContact O-N 3.15Å; F140-L143 HydrophobicContact CD1-CD1 3.79Å; F140-L143 HydrophobicContact CE1-CD1 4.27Å; F140-L143 WeakPolarHBondContact O-CB 3.43Å; F140-L143 PolarHBondContact O-N 2.82Å; F140-L143 VanDerWaalsContact O-N 3.07Å; F140-I145 HydrophobicContact CB-CD1 4.23Å; F140-I145 HydrophobicContact CD1-CD1 3.96Å; F140-M147 HydrophobicContact CB-CE 4.06Å; F140-M147 HydrophobicContact CB-SD 4.03Å; F140-F151 HydrophobicContact CB-CE2 4.47Å; F140-F151 HydrophobicContact CB-CZ 4.02Å; F140-F151 HydrophobicContact CD1-CZ 4.11Å; F140-F151 HydrophobicContact CD2-CZ 4.13Å; F140-F151 AromaticContact CG-CZ 3.83Å; F140-F151 HydrophobicContact CG-CZ 3.83Å |
| 141 | E | 96.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -66.2 | -16.2 | 173 | -64 | 172.7 | -124.7 | 0 | 0 | 111.8 | F125 R126 H137 S138 L139 L143 M147 | F125-E141 HydrophobicContact CE1-CG 4.41Å; R126-E141 PolarHBondContact NH1-O 2.98Å; H137-E141 VanDerWaalsContact CA-OE1 3.25Å; H137-E141 WeakPolarHBondContact CA-OE1 3.47Å; H137-E141 IonicContact CE1-OE2 3.92Å; H137-E141 IonicContact CG-OE2 2.68Å; H137-E141 IonicContact ND1-OE1 3.9Å; H137-E141 IonicContact ND1-OE2 2.87Å; H137-E141 PolarHBondContact ND1-OE2 3.48Å; S138-E141 PolarHBondContact N-OE1 3.45Å; S138-E141 VanDerWaalsContact O-CB 3.27Å; S138-E141 WeakPolarHBondContact O-CB 3.17Å; S138-E141 PolarHBondContact O-N 3.4Å; L139-E141 PolarHBondContact O-N 2.86Å; E141-L143 PolarHBondContact O-N 3.34Å; E141-M147 HydrophobicContact CG-CE 3.78Å; E141-M147 HydrophobicContact CG-CG 4.09Å; E141-M147 HydrophobicContact CG-SD 3.97Å |
| 142 | S | 95.1 | Very high | 96.3 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -76.3 | -11.9 | 173 | 73.9 | 0 | 0 | 0 | 0 | 113.9 | L139 F140 | L139-S142 WeakPolarHBondContact O-CB 3.29Å; L139-S142 PolarHBondContact O-N 2.95Å; L139-S142 PolarHBondContact O-OG 3.45Å; F140-S142 PolarHBondContact O-N 3.15Å |
| 143 | L | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -91.1 | 151.5 | -179.8 | -58.7 | 180 | 0 | 0 | 0 | 111.4 | I47 I50 K51 L71 R126 F140 E141 I145 | I47-L143 HydrophobicContact CG2-CD1 4.34Å; I47-L143 HydrophobicContact CG2-CD2 4.25Å; I47-L143 HydrophobicContact CG2-CG 4.2Å; I50-L143 HydrophobicContact CG2-CD1 3.72Å; I50-L143 HydrophobicContact CG2-CD2 4.12Å; K51-L143 VanDerWaalsContact CA-CD2 3.43Å; K51-L143 HydrophobicContact CB-CD2 3.46Å; K51-L143 VanDerWaalsContact CB-CD2 3.46Å; K51-L143 HydrophobicContact CG-CD2 3.95Å; L71-L143 HydrophobicContact CD2-CD1 4.06Å; R126-L143 PolarHBondContact NH2-O 2.75Å; F140-L143 HydrophobicContact CD1-CD1 3.79Å; F140-L143 HydrophobicContact CE1-CD1 4.27Å; F140-L143 WeakPolarHBondContact O-CB 3.43Å; F140-L143 PolarHBondContact O-N 2.82Å; F140-L143 VanDerWaalsContact O-N 3.07Å; E141-L143 PolarHBondContact O-N 3.34Å; L143-I145 HydrophobicContact CB-CD1 4.22Å; L143-I145 HydrophobicContact CB-CG1 4.04Å; L143-I145 HydrophobicContact CB-CG2 4.05Å; L143-I145 HydrophobicContact CD1-CD1 4.31Å; L143-I145 PolarHBondContact O-N 3.15Å |
| 144 | P | 93.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 64% | 0.636 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -77.5 | 58.5 | 174.6 | 34.5 | -36.8 | 0 | 0 | 0 | 111.5 | ||
| 145 | I | 95.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -123.2 | 158 | -178.6 | 67.7 | 176 | 0 | 0 | 0 | 111.3 | L71 R126 F140 L143 M147 T150 F151 | L71-I145 HydrophobicContact CB-CG2 4.38Å; L71-I145 HydrophobicContact CD2-CD1 4.19Å; L71-I145 HydrophobicContact CD2-CG2 4.44Å; R126-I145 PolarHBondContact NH2-O 3.17Å; F140-I145 HydrophobicContact CB-CD1 4.23Å; F140-I145 HydrophobicContact CD1-CD1 3.96Å; L143-I145 HydrophobicContact CB-CD1 4.22Å; L143-I145 HydrophobicContact CB-CG1 4.04Å; L143-I145 HydrophobicContact CB-CG2 4.05Å; L143-I145 HydrophobicContact CD1-CD1 4.31Å; L143-I145 PolarHBondContact O-N 3.15Å; I145-M147 HydrophobicContact CD1-SD 4.17Å; I145-M147 HydrophobicContact CG1-SD 4.19Å; I145-T150 HydrophobicContact CB-CG2 4.24Å; I145-T150 HydrophobicContact CD1-CG2 4.09Å; I145-T150 HydrophobicContact CG2-CG2 4.48Å; I145-F151 HydrophobicContact CD1-CE2 4.23Å |
| 146 | D | 97.2 | Very high | 96.5 | Very high | 54 Ų | 54 | 26.8 Ų | 26.8 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | trans | -82.6 | 114.6 | 170.7 | -175.3 | -51.9 | 0 | 0 | 0 | 109.6 | D122 I148 L149 T150 | D122-D146 HydrophobicContact CB-CB 4.47Å; D146-I148 PolarHBondContact O-N 3.23Å; D146-I148 VanDerWaalsContact O-N 3.15Å; D146-I148 VanDerWaalsContact OD1-CA 3.29Å; D146-I148 WeakPolarHBondContact OD1-CA 3.49Å; D146-I148 VanDerWaalsContact OD1-CB 3.27Å; D146-I148 WeakPolarHBondContact OD1-CB 3.35Å; D146-I148 PolarHBondContact OD1-N 2.67Å; D146-L149 HydrophobicContact CB-CB 4.16Å; D146-L149 PolarHBondContact OD1-N 3.04Å; D146-T150 PolarHBondContact N-OG1 3.29Å; D146-T150 WeakPolarHBondContact O-CB 3.24Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 2.89Å | ||
| 147 | M | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -8.7 | -176.9 | -69.8 | -59.7 | -62.5 | 0 | 0 | 114.2 | R85 D122 F125 R126 F140 E141 I145 F151 | R85-M147 PolarHBondContact NE-O 3.36Å; R85-M147 PolarHBondContact NH2-O 2.64Å; D122-M147 WeakPolarHBondContact OD1-CB 3.43Å; D122-M147 PolarHBondContact OD1-N 3.02Å; F125-M147 HydrophobicContact CB-CB 4.41Å; F125-M147 HydrophobicContact CD1-CB 3.51Å; F125-M147 HydrophobicContact CD1-CE 4.39Å; F125-M147 HydrophobicContact CD1-CG 3.95Å; F125-M147 HydrophobicContact CE1-CB 3.95Å; F125-M147 HydrophobicContact CE1-CE 3.72Å; F125-M147 HydrophobicContact CE1-CG 4.23Å; F125-M147 HydrophobicContact CG-CB 3.96Å; F125-M147 HydrophobicContact CZ-CE 4.28Å; R126-M147 HydrophobicContact CG-CG 4.38Å; F140-M147 HydrophobicContact CB-CE 4.06Å; F140-M147 HydrophobicContact CB-SD 4.03Å; E141-M147 HydrophobicContact CG-CE 3.78Å; E141-M147 HydrophobicContact CG-CG 4.09Å; E141-M147 HydrophobicContact CG-SD 3.97Å; I145-M147 HydrophobicContact CD1-SD 4.17Å; I145-M147 HydrophobicContact CG1-SD 4.19Å; M147-F151 HydrophobicContact CE-CE2 3.85Å; M147-F151 HydrophobicContact CE-CZ 4.28Å; M147-F151 HydrophobicContact SD-CE2 3.96Å |
| 148 | I | 97.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -66.6 | 171 | -52.6 | -52.8 | 0 | 0 | 0 | 108.5 | R98 R120 F125 D146 T150 F151 | R98-I148 VanDerWaalsContact NH1-C 3.28Å; R98-I148 PolarHBondContact NH1-O 3.07Å; R120-I148 HydrophobicContact CB-CD1 3.61Å; R120-I148 HydrophobicContact CB-CG1 4.13Å; F125-I148 HydrophobicContact CB-CD1 3.98Å; F125-I148 HydrophobicContact CD2-CD1 3.85Å; F125-I148 HydrophobicContact CG-CD1 4.17Å; D146-I148 PolarHBondContact O-N 3.23Å; D146-I148 VanDerWaalsContact O-N 3.15Å; D146-I148 VanDerWaalsContact OD1-CA 3.29Å; D146-I148 WeakPolarHBondContact OD1-CA 3.49Å; D146-I148 VanDerWaalsContact OD1-CB 3.27Å; D146-I148 WeakPolarHBondContact OD1-CB 3.35Å; D146-I148 PolarHBondContact OD1-N 2.67Å; I148-T150 PolarHBondContact O-N 3.33Å; I148-F151 PolarHBondContact O-N 2.98Å |
| 149 | L | 96.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 22.8 Ų | 22.8 | 36% | 0.356 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.4 | -169.6 | -66 | 177.5 | 0 | 0 | 0 | 112.9 | D146 F151 H307 | D146-L149 HydrophobicContact CB-CB 4.16Å; D146-L149 PolarHBondContact OD1-N 3.04Å; L149-F151 PolarHBondContact O-N 2.92Å; L149-F151 VanDerWaalsContact O-N 3.14Å; L149-H307 PolarHBondContact O-CE1 2.86Å; L149-H307 PolarHBondContact O-NE2 3.43Å |
| 150 | T | 97.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 20 Ų | 20 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.5 | 179.8 | -44.4 | 0 | 0 | 0 | 0 | 112.4 | L71 A73 V74 I145 D146 I148 P152 | L71-T150 HydrophobicContact CD2-CG2 4.38Å; L71-T150 HydrophobicContact CG-CG2 4.26Å; A73-T150 CarbonylContact C-O 3.39Å; A73-T150 VanDerWaalsContact CA-O 3.3Å; A73-T150 WeakPolarHBondContact CA-O 3.4Å; V74-T150 HydrophobicContact CG2-CG2 4.43Å; V74-T150 PolarHBondContact N-O 3.17Å; I145-T150 HydrophobicContact CB-CG2 4.24Å; I145-T150 HydrophobicContact CD1-CG2 4.09Å; I145-T150 HydrophobicContact CG2-CG2 4.48Å; D146-T150 PolarHBondContact N-OG1 3.29Å; D146-T150 WeakPolarHBondContact O-CB 3.24Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 2.89Å; I148-T150 PolarHBondContact O-N 3.33Å; T150-P152 VanDerWaalsContact C-CD 3.42Å; T150-P152 WeakPolarHBondContact O-CD 3.19Å |
| 151 | F | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -110.4 | 75.1 | 178 | -70.2 | -94.1 | 0 | 0 | 0 | 110.5 | V74 V84 R85 R98 F140 I145 M147 I148 L149 | V74-F151 HydrophobicContact CB-CD1 3.72Å; V74-F151 HydrophobicContact CB-CE1 3.56Å; V74-F151 HydrophobicContact CB-CG 4.39Å; V74-F151 HydrophobicContact CB-CZ 4.09Å; V74-F151 HydrophobicContact CG1-CD1 3.94Å; V74-F151 HydrophobicContact CG1-CE1 3.52Å; V74-F151 HydrophobicContact CG1-CZ 4.3Å; V74-F151 HydrophobicContact CG2-CD1 4.49Å; V74-F151 HydrophobicContact CG2-CE1 3.98Å; V74-F151 HydrophobicContact CG2-CZ 4Å; V84-F151 HydrophobicContact CG1-CE1 3.66Å; V84-F151 HydrophobicContact CG1-CZ 4.2Å; R85-F151 HydrophobicContact CG-CD1 3.71Å; R85-F151 HydrophobicContact CG-CD2 4.33Å; R85-F151 HydrophobicContact CG-CE1 3.73Å; R85-F151 HydrophobicContact CG-CE2 4.36Å; R85-F151 HydrophobicContact CG-CG 4.02Å; R85-F151 HydrophobicContact CG-CZ 4.07Å; R98-F151 PolarHBondContact NH2-O 2.6Å; F140-F151 HydrophobicContact CB-CE2 4.47Å; F140-F151 HydrophobicContact CB-CZ 4.02Å; F140-F151 HydrophobicContact CD1-CZ 4.11Å; F140-F151 HydrophobicContact CD2-CZ 4.13Å; F140-F151 AromaticContact CG-CZ 3.83Å; F140-F151 HydrophobicContact CG-CZ 3.83Å; I145-F151 HydrophobicContact CD1-CE2 4.23Å; M147-F151 HydrophobicContact CE-CE2 3.85Å; M147-F151 HydrophobicContact CE-CZ 4.28Å; M147-F151 HydrophobicContact SD-CE2 3.96Å; I148-F151 PolarHBondContact O-N 2.98Å; L149-F151 PolarHBondContact O-N 2.92Å; L149-F151 VanDerWaalsContact O-N 3.14Å |
| 152 | P | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -64.2 | 156.4 | -178 | 28 | -35.3 | 0 | 0 | 0 | 112.5 | A73 I75 R81 R98 T150 D154 D303 F313 | A73-P152 HydrophobicContact CB-CG 4.03Å; I75-P152 HydrophobicContact CD1-CG 3.51Å; R81-P152 PolarHBondContact NH1-O 3.02Å; R98-P152 VanDerWaalsContact NH2-CA 3.32Å; T150-P152 VanDerWaalsContact C-CD 3.42Å; T150-P152 WeakPolarHBondContact O-CD 3.19Å; P152-D154 PolarHBondContact O-N 3.22Å; P152-D303 HydrophobicContact CB-CB 4.26Å; P152-F313 HydrophobicContact CB-CB 4.21Å; P152-F313 HydrophobicContact CB-CD2 3.62Å; P152-F313 HydrophobicContact CB-CE2 4.19Å; P152-F313 HydrophobicContact CB-CG 4.09Å; P152-F313 HydrophobicContact CG-CB 3.92Å; P152-F313 HydrophobicContact CG-CD2 4.16Å; P152-F313 HydrophobicContact CG-CG 4.35Å | ||
| 153 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -79.2 | 98.8 | 173.3 | -59.8 | 171 | 0 | 0 | 0 | 110.1 | R98 P155 M158 H299 L300 D303 | R98-L153 HydrophobicContact CG-CD1 4.08Å; L153-P155 WeakPolarHBondContact O-CD 3.32Å; L153-P155 VanDerWaalsContact O-N 3.07Å; L153-M158 HydrophobicContact CB-CE 3.35Å; L153-M158 HydrophobicContact CD1-CE 3.74Å; L153-M158 HydrophobicContact CG-CE 4.12Å; L153-H299 HydrophobicContact CD1-CB 3.95Å; L153-L300 HydrophobicContact CB-CD2 4.27Å; L153-D303 WeakPolarHBondContact CB-OD2 3.44Å; L153-D303 WeakPolarHBondContact CG-OD2 3.44Å; L153-D303 PolarHBondContact N-OD2 3.07Å | ||
| 154 | D | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | trans | -50.1 | 113.5 | -178.3 | 169.6 | 39.3 | 0 | 0 | 0 | 113.2 | I75 P152 M156 H157 M158 S314 A315 | I75-D154 HydrophobicContact CG2-CB 4.41Å; P152-D154 PolarHBondContact O-N 3.22Å; D154-M156 PolarHBondContact O-N 2.99Å; D154-M156 WeakPolarHBondContact OD1-CB 3.43Å; D154-M156 PolarHBondContact OD1-N 3.36Å; D154-H157 PolarHBondContact O-N 2.98Å; D154-H157 WeakPolarHBondContact OD2-CB 3.45Å; D154-H157 IonicContact OD2-CE1 3.78Å; D154-H157 IonicContact OD2-CG 3.56Å; D154-H157 VanDerWaalsContact OD2-CG 3.31Å; D154-H157 PolarHBondContact OD2-N 2.93Å; D154-H157 IonicContact OD2-ND1 2.66Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å; D154-M158 VanDerWaalsContact O-CB 3.26Å; D154-M158 WeakPolarHBondContact O-CB 3.37Å; D154-M158 PolarHBondContact O-N 3.24Å; D154-S314 WeakPolarHBondContact OD1-CA 3.4Å; D154-A315 PolarHBondContact OD1-N 3.1Å; D154-A315 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 155 | P | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.2 | -26.5 | -179.7 | -25.4 | 38 | 0 | 0 | 0 | 113.1 | L153 V159 Y160 L310 F313 | L153-P155 WeakPolarHBondContact O-CD 3.32Å; L153-P155 VanDerWaalsContact O-N 3.07Å; P155-V159 HydrophobicContact CB-CG2 4.24Å; P155-V159 WeakPolarHBondContact O-CA 3.32Å; P155-V159 VanDerWaalsContact O-CB 3.32Å; P155-V159 WeakPolarHBondContact O-CB 3.36Å; P155-V159 PolarHBondContact O-N 3.19Å; P155-Y160 HydrophobicContact CB-CE2 4.41Å; P155-Y160 PolarHBondContact O-N 3.44Å; P155-Y160 VanDerWaalsContact O-N 3.13Å; P155-L310 HydrophobicContact CB-CB 4.32Å; P155-L310 HydrophobicContact CB-CD2 4.33Å; P155-L310 HydrophobicContact CG-CB 4.1Å; P155-L310 HydrophobicContact CG-CD2 3.84Å; P155-L310 WeakPolarHBondContact CG-O 3.44Å; P155-F313 VanDerWaalsContact CD-CE2 3.49Å; P155-F313 HydrophobicContact CG-CD2 3.9Å; P155-F313 HydrophobicContact CG-CE2 3.37Å; P155-F313 HydrophobicContact CG-CZ 3.94Å |
| 156 | M | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 3% | 0.034 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -63 | -51.9 | -179.7 | -173.3 | -165.7 | 75.1 | 0 | 0 | 111.6 | D154 L161 A220 A315 F316 E319 | D154-M156 PolarHBondContact O-N 2.99Å; D154-M156 WeakPolarHBondContact OD1-CB 3.43Å; D154-M156 PolarHBondContact OD1-N 3.36Å; M156-L161 PolarHBondContact O-N 3.31Å; M156-A220 HydrophobicContact CG-CB 3.51Å; M156-A220 HydrophobicContact SD-CB 4.23Å; M156-A315 HydrophobicContact CB-CB 4.37Å; M156-A315 HydrophobicContact CE-CB 3.65Å; M156-A315 HydrophobicContact SD-CB 4.2Å; M156-F316 HydrophobicContact CB-CD2 4.18Å; M156-F316 HydrophobicContact CB-CE2 4.11Å; M156-F316 HydrophobicContact CB-CZ 4.38Å; M156-F316 HydrophobicContact CG-CD1 3.91Å; M156-F316 HydrophobicContact CG-CD2 4.13Å; M156-F316 HydrophobicContact CG-CE1 3.73Å; M156-F316 HydrophobicContact CG-CE2 3.96Å; M156-F316 HydrophobicContact CG-CG 4.11Å; M156-F316 HydrophobicContact CG-CZ 3.76Å; M156-F316 HydrophobicContact SD-CB 4.44Å; M156-F316 HydrophobicContact SD-CD1 3.61Å; M156-F316 HydrophobicContact SD-CD2 4.48Å; M156-F316 HydrophobicContact SD-CE1 3.97Å; M156-F316 HydrophobicContact SD-CG 3.9Å; M156-E319 HydrophobicContact CE-CB 4.49Å; M156-E319 HydrophobicContact CE-CG 3.48Å; M156-E319 VanDerWaalsContact CE-CG 3.48Å; M156-E319 HydrophobicContact SD-CB 4.43Å; M156-E319 HydrophobicContact SD-CG 4Å |
| 157 | H | 97.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 14.3 Ų | 14.3 | 21% | 0.213 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -77.1 | -42 | 177.8 | -69.5 | 106 | 0 | 0 | 0 | 112.7 | D77 D154 G162 | D77-H157 HydrophobicContact CB-CB 4.3Å; D154-H157 PolarHBondContact O-N 2.98Å; D154-H157 WeakPolarHBondContact OD2-CB 3.45Å; D154-H157 IonicContact OD2-CE1 3.78Å; D154-H157 IonicContact OD2-CG 3.56Å; D154-H157 VanDerWaalsContact OD2-CG 3.31Å; D154-H157 PolarHBondContact OD2-N 2.93Å; D154-H157 IonicContact OD2-ND1 2.66Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å; H157-G162 WeakPolarHBondContact O-CA 3.04Å; H157-G162 PolarHBondContact O-N 2.99Å |
| 158 | M | 97.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -78.5 | -52.2 | -172.4 | -174.5 | -113.7 | -72.2 | 0 | 0 | 112.7 | L153 D154 G162 V163 N293 L297 L300 | L153-M158 HydrophobicContact CB-CE 3.35Å; L153-M158 HydrophobicContact CD1-CE 3.74Å; L153-M158 HydrophobicContact CG-CE 4.12Å; D154-M158 VanDerWaalsContact O-CB 3.26Å; D154-M158 WeakPolarHBondContact O-CB 3.37Å; D154-M158 PolarHBondContact O-N 3.24Å; M158-G162 CarbonylContact O-C 3.59Å; M158-G162 WeakPolarHBondContact O-CA 3.45Å; M158-G162 PolarHBondContact O-N 2.82Å; M158-V163 PolarHBondContact O-N 2.88Å; M158-N293 HydrophobicContact CG-CB 4.02Å; M158-L297 HydrophobicContact SD-CD2 3.98Å; M158-L297 HydrophobicContact SD-CG 4.44Å; M158-L300 HydrophobicContact CE-CD1 4.01Å; M158-L300 HydrophobicContact CE-CD2 3.45Å; M158-L300 VanDerWaalsContact CE-CD2 3.45Å; M158-L300 HydrophobicContact CE-CG 3.68Å; M158-L300 HydrophobicContact SD-CD1 4.15Å; M158-L300 HydrophobicContact SD-CG 4.43Å |
| 159 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -83.4 | -56.5 | -173.9 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | P155 V163 T164 L227 M254 L297 L300 | P155-V159 HydrophobicContact CB-CG2 4.24Å; P155-V159 WeakPolarHBondContact O-CA 3.32Å; P155-V159 VanDerWaalsContact O-CB 3.32Å; P155-V159 WeakPolarHBondContact O-CB 3.36Å; P155-V159 PolarHBondContact O-N 3.19Å; V159-V163 PolarHBondContact O-N 2.81Å; V159-T164 PolarHBondContact O-N 3.35Å; V159-T164 PolarHBondContact O-OG1 3.16Å; V159-L227 HydrophobicContact CG1-CD2 3.62Å; V159-M254 HydrophobicContact CB-SD 4.4Å; V159-M254 HydrophobicContact CG1-CG 3.74Å; V159-M254 HydrophobicContact CG1-SD 3.65Å; V159-M254 HydrophobicContact CG2-SD 3.83Å; V159-L297 HydrophobicContact CG2-CD2 4.04Å; V159-L300 HydrophobicContact CG2-CD1 3.59Å |
| 160 | Y | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -76.3 | -56.9 | -171.4 | -52.4 | -44.1 | 0 | 0 | 0 | 111.4 | P155 T164 C223 R224 L227 F316 | P155-Y160 HydrophobicContact CB-CE2 4.41Å; P155-Y160 PolarHBondContact O-N 3.44Å; P155-Y160 VanDerWaalsContact O-N 3.13Å; Y160-T164 VanDerWaalsContact O-CB 3.26Å; Y160-T164 WeakPolarHBondContact O-CB 3.48Å; Y160-C223 WeakPolarHBondContact O-CB 3.22Å; Y160-C223 PolarHBondContact O-SG 3.26Å; Y160-C223 VanDerWaalsContact O-SG 3.38Å; Y160-R224 HydrophobicContact CD1-CB 3.83Å; Y160-R224 HydrophobicContact CD1-CG 4.23Å; Y160-R224 HydrophobicContact CD2-CB 3.95Å; Y160-R224 HydrophobicContact CD2-CG 4.33Å; Y160-R224 HydrophobicContact CE1-CB 3.92Å; Y160-R224 HydrophobicContact CE1-CG 3.78Å; Y160-R224 HydrophobicContact CE2-CB 4.1Å; Y160-R224 HydrophobicContact CE2-CG 3.95Å; Y160-R224 HydrophobicContact CG-CB 3.87Å; Y160-L227 HydrophobicContact CD1-CD2 4.13Å; Y160-L227 HydrophobicContact CE1-CD2 4.15Å; Y160-F316 AromaticContact CD2-CE2 3.7Å; Y160-F316 HydrophobicContact CD2-CE2 3.7Å; Y160-F316 AromaticContact CD2-CZ 3.74Å; Y160-F316 HydrophobicContact CD2-CZ 3.74Å; Y160-F316 AromaticContact CE2-CE2 3.64Å; Y160-F316 HydrophobicContact CE2-CE2 3.64Å; Y160-F316 HydrophobicContact CE2-CZ 4.12Å |
| 161 | L | 97.7 | Very high | 97.9 | Very high | 52 Ų | 52 | 13 Ų | 13 | 27% | 0.272 | 7% | 0.068 | S | C | . | . | I | π-helix | trans | -75.1 | -34.7 | 178.5 | -69.6 | 175.7 | 0 | 0 | 0 | 113.1 | M156 K165 A220 | M156-L161 PolarHBondContact O-N 3.31Å; L161-K165 HydrophobicContact CD2-CD 4.33Å; L161-K165 VanDerWaalsContact O-CB 3.29Å; L161-K165 WeakPolarHBondContact O-CB 3.4Å; L161-K165 WeakPolarHBondContact O-CD 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.48Å; L161-A220 HydrophobicContact CD1-CB 4.07Å; L161-A220 HydrophobicContact CD2-CB 4Å; L161-A220 HydrophobicContact CG-CB 3.74Å |
| 162 | G | 97.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 14.5 Ų | 14.5 | 13% | 0.134 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -79.8 | -79.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H157 M158 K166 N293 | H157-G162 WeakPolarHBondContact O-CA 3.04Å; H157-G162 PolarHBondContact O-N 2.99Å; M158-G162 CarbonylContact O-C 3.59Å; M158-G162 WeakPolarHBondContact O-CA 3.45Å; M158-G162 PolarHBondContact O-N 2.82Å; G162-K166 WeakPolarHBondContact O-CB 3.48Å; G162-K166 PolarHBondContact O-N 2.98Å; G162-K166 VanDerWaalsContact O-N 3.09Å; G162-N293 WeakPolarHBondContact CA-ND2 3.46Å |
| 163 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -67.3 | -46.2 | -171.4 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | M158 V159 K165 K166 L167 L250 N293 V294 L297 | M158-V163 PolarHBondContact O-N 2.88Å; V159-V163 PolarHBondContact O-N 2.81Å; V163-K165 PolarHBondContact O-N 3.32Å; V163-K166 WeakPolarHBondContact O-CB 3.36Å; V163-K166 PolarHBondContact O-N 3.42Å; V163-L167 HydrophobicContact CG1-CD1 4.1Å; V163-L167 HydrophobicContact CG1-CG 4.41Å; V163-L167 PolarHBondContact O-N 2.99Å; V163-L250 HydrophobicContact CG1-CD2 3.57Å; V163-N293 HydrophobicContact CG2-CB 4.14Å; V163-N293 WeakPolarHBondContact CG2-O 3.43Å; V163-V294 HydrophobicContact CG2-CG2 4.26Å; V163-L297 HydrophobicContact CG1-CD1 4.05Å; V163-L297 HydrophobicContact CG2-CD1 3.99Å; V163-L297 HydrophobicContact CG2-CD2 4.1Å; V163-L297 HydrophobicContact CG2-CG 4.04Å |
| 164 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -63.8 | -48.2 | -174.8 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | V159 Y160 K166 L167 V168 C223 F226 L227 | V159-T164 PolarHBondContact O-N 3.35Å; V159-T164 PolarHBondContact O-OG1 3.16Å; Y160-T164 VanDerWaalsContact O-CB 3.26Å; Y160-T164 WeakPolarHBondContact O-CB 3.48Å; T164-K166 VanDerWaalsContact C-N 3.31Å; T164-K166 PolarHBondContact O-N 3.19Å; T164-L167 PolarHBondContact O-N 2.78Å; T164-V168 WeakPolarHBondContact O-CG2 3.47Å; T164-V168 PolarHBondContact O-N 2.82Å; T164-V168 VanDerWaalsContact O-N 3.17Å; T164-C223 HydrophobicContact CG2-CB 4.27Å; T164-F226 HydrophobicContact CG2-CD1 4.09Å; T164-L227 HydrophobicContact CG2-CB 4.11Å |
| 165 | K | 97.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 19 Ų | 19 | 18% | 0.178 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.1 | -69.3 | -166.7 | 168.2 | -164.1 | 0 | 112.4 | L161 V163 V168 T169 L215 W218 C223 | L161-K165 HydrophobicContact CD2-CD 4.33Å; L161-K165 VanDerWaalsContact O-CB 3.29Å; L161-K165 WeakPolarHBondContact O-CB 3.4Å; L161-K165 WeakPolarHBondContact O-CD 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.48Å; V163-K165 PolarHBondContact O-N 3.32Å; K165-V168 PolarHBondContact O-N 2.97Å; K165-T169 WeakPolarHBondContact O-CB 3.44Å; K165-T169 PolarHBondContact O-N 3.41Å; K165-T169 PolarHBondContact O-OG1 3.16Å; K165-L215 HydrophobicContact CB-CD1 4.42Å; K165-L215 HydrophobicContact CG-CD1 4.22Å; K165-W218 WeakPolarHBondContact CE-O 3.45Å; K165-W218 PolarHBondContact NZ-O 2.83Å; K165-C223 VanDerWaalsContact CG-SG 3.54Å |
| 166 | K | 97.7 | Very high | 97.7 | Very high | 43 Ų | 43 | 26.1 Ų | 26.1 | 19% | 0.187 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 178.1 | -177.8 | 72.4 | 177.6 | 165.7 | 0 | 110.9 | R109 G162 V163 T164 T169 L170 N289 | R109-K166 VanDerWaalsContact NH1-NZ 3.15Å; G162-K166 WeakPolarHBondContact O-CB 3.48Å; G162-K166 PolarHBondContact O-N 2.98Å; G162-K166 VanDerWaalsContact O-N 3.09Å; V163-K166 WeakPolarHBondContact O-CB 3.36Å; V163-K166 PolarHBondContact O-N 3.42Å; T164-K166 VanDerWaalsContact C-N 3.31Å; T164-K166 PolarHBondContact O-N 3.19Å; K166-T169 WeakPolarHBondContact O-CB 3.44Å; K166-T169 PolarHBondContact O-N 3Å; K166-L170 HydrophobicContact CG-CD1 4.12Å; K166-L170 VanDerWaalsContact O-CG 3.28Å; K166-L170 WeakPolarHBondContact O-CG 3.49Å; K166-L170 PolarHBondContact O-N 3.38Å; K166-N289 WeakPolarHBondContact CE-OD1 3.4Å; K166-N289 PolarHBondContact NZ-OD1 3.36Å |
| 167 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 176.7 | -76.9 | 173 | 0 | 0 | 0 | 112.1 | V163 T164 T169 L170 W171 F247 L250 F277 Y281 Y285 | V163-L167 HydrophobicContact CG1-CD1 4.1Å; V163-L167 HydrophobicContact CG1-CG 4.41Å; V163-L167 PolarHBondContact O-N 2.99Å; T164-L167 PolarHBondContact O-N 2.78Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 3.02Å; L167-L170 WeakPolarHBondContact O-CB 3.34Å; L167-L170 PolarHBondContact O-N 2.91Å; L167-W171 HydrophobicContact CB-CZ2 4.05Å; L167-W171 VanDerWaalsContact O-CG 3.24Å; L167-W171 PolarHBondContact O-N 3.26Å; L167-F247 HydrophobicContact CD1-CD2 4.22Å; L167-L250 HydrophobicContact CD1-CD2 3.5Å; L167-F277 HydrophobicContact CD1-CZ 4.41Å; L167-Y281 HydrophobicContact CD2-CD2 3.99Å; L167-Y281 HydrophobicContact CD2-CE2 3.54Å; L167-Y281 HydrophobicContact CG-CE2 4.28Å; L167-Y285 HydrophobicContact CD2-CD2 4.18Å; L167-Y285 HydrophobicContact CD2-CE1 4.35Å; L167-Y285 HydrophobicContact CD2-CE2 3.41Å; L167-Y285 VanDerWaalsContact CD2-CE2 3.41Å |
| 168 | V | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | T164 K165 L170 W171 I172 L212 L215 W218 F226 | T164-V168 WeakPolarHBondContact O-CG2 3.47Å; T164-V168 PolarHBondContact O-N 2.82Å; T164-V168 VanDerWaalsContact O-N 3.17Å; K165-V168 PolarHBondContact O-N 2.97Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.43Å; V168-W171 HydrophobicContact CB-CE3 4.28Å; V168-W171 HydrophobicContact CG1-CE3 4.45Å; V168-W171 HydrophobicContact CG2-CE3 4.06Å; V168-W171 HydrophobicContact CG2-CZ3 3.8Å; V168-W171 PolarHBondContact O-N 3.46Å; V168-I172 HydrophobicContact CG1-CD1 4.32Å; V168-I172 WeakPolarHBondContact O-CG1 3.47Å; V168-I172 PolarHBondContact O-N 3.19Å; V168-L212 HydrophobicContact CG1-CB 4.46Å; V168-L212 HydrophobicContact CG1-CD1 4.1Å; V168-L212 HydrophobicContact CG1-CD2 3.6Å; V168-L212 HydrophobicContact CG1-CG 4.25Å; V168-L215 HydrophobicContact CB-CD1 3.95Å; V168-L215 HydrophobicContact CB-CD2 3.86Å; V168-L215 HydrophobicContact CG1-CD1 3.88Å; V168-L215 HydrophobicContact CG1-CD2 3.67Å; V168-L215 HydrophobicContact CG1-CG 4.3Å; V168-W218 HydrophobicContact CG2-CZ3 4.26Å; V168-F226 HydrophobicContact CG2-CD1 4.43Å; V168-F226 HydrophobicContact CG2-CE1 3.89Å; V168-F226 HydrophobicContact CG2-CZ 4.44Å |
| 169 | T | 97.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | K165 K166 L167 W171 I172 E173 L215 | K165-T169 WeakPolarHBondContact O-CB 3.44Å; K165-T169 PolarHBondContact O-N 3.41Å; K165-T169 PolarHBondContact O-OG1 3.16Å; K166-T169 WeakPolarHBondContact O-CB 3.44Å; K166-T169 PolarHBondContact O-N 3Å; L167-T169 VanDerWaalsContact C-N 3.3Å; L167-T169 PolarHBondContact O-N 3.02Å; T169-W171 VanDerWaalsContact C-N 3.32Å; T169-W171 PolarHBondContact O-N 2.93Å; T169-I172 PolarHBondContact O-N 2.84Å; T169-E173 WeakPolarHBondContact O-CG 3.32Å; T169-E173 PolarHBondContact O-N 2.92Å; T169-L215 VanDerWaalsContact OG1-CD2 3.29Å; T169-L215 WeakPolarHBondContact OG1-CD2 3.1Å |
| 170 | L | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 177.5 | -70.8 | 163.8 | 0 | 0 | 0 | 111.9 | K166 L167 V168 E173 L174 Y281 Y285 N289 | K166-L170 HydrophobicContact CG-CD1 4.12Å; K166-L170 VanDerWaalsContact O-CG 3.28Å; K166-L170 WeakPolarHBondContact O-CG 3.49Å; K166-L170 PolarHBondContact O-N 3.38Å; L167-L170 WeakPolarHBondContact O-CB 3.34Å; L167-L170 PolarHBondContact O-N 2.91Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.43Å; L170-E173 PolarHBondContact O-N 3.33Å; L170-L174 WeakPolarHBondContact O-CB 3.23Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.45Å; L170-Y281 WeakPolarHBondContact CD1-OH 3.36Å; L170-Y285 HydrophobicContact CB-CD1 3.95Å; L170-Y285 HydrophobicContact CB-CE1 4.29Å; L170-Y285 HydrophobicContact CD1-CD1 3.86Å; L170-Y285 HydrophobicContact CD1-CG 3.85Å; L170-Y285 HydrophobicContact CG-CD1 4.42Å; L170-N289 HydrophobicContact CD1-CB 4.37Å |
| 171 | W | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.1 | -58.8 | -20.6 | 0 | 0 | 0 | 112.4 | L167 V168 T169 L174 G175 M182 F226 L235 L239 F247 Y285 | L167-W171 HydrophobicContact CB-CZ2 4.05Å; L167-W171 VanDerWaalsContact O-CG 3.24Å; L167-W171 PolarHBondContact O-N 3.26Å; V168-W171 HydrophobicContact CB-CE3 4.28Å; V168-W171 HydrophobicContact CG1-CE3 4.45Å; V168-W171 HydrophobicContact CG2-CE3 4.06Å; V168-W171 HydrophobicContact CG2-CZ3 3.8Å; V168-W171 PolarHBondContact O-N 3.46Å; T169-W171 VanDerWaalsContact C-N 3.32Å; T169-W171 PolarHBondContact O-N 2.93Å; W171-L174 PolarHBondContact O-N 2.78Å; W171-G175 PolarHBondContact O-N 2.91Å; W171-M182 HydrophobicContact CB-CE 3.81Å; W171-M182 WeakPolarHBondContact O-CE 3.41Å; W171-F226 HydrophobicContact CH2-CE1 4.3Å; W171-F226 AromaticContact CZ3-CE1 3.96Å; W171-F226 HydrophobicContact CZ3-CE1 3.96Å; W171-F226 AromaticContact CZ3-CZ 4Å; W171-F226 HydrophobicContact CZ3-CZ 4Å; W171-L235 HydrophobicContact CH2-CD1 3.75Å; W171-L235 HydrophobicContact CZ3-CD1 3.86Å; W171-L239 HydrophobicContact CD2-CD1 4.11Å; W171-L239 HydrophobicContact CD2-CD2 4.13Å; W171-L239 HydrophobicContact CE3-CD1 4.17Å; W171-L239 HydrophobicContact CE3-CD2 4.34Å; W171-L239 HydrophobicContact CG-CD2 4.3Å; W171-L239 HydrophobicContact CH2-CD1 3.75Å; W171-L239 HydrophobicContact CZ2-CD1 3.68Å; W171-L239 HydrophobicContact CZ3-CD1 4Å; W171-F247 HydrophobicContact CH2-CB 4.3Å; W171-F247 AromaticContact CH2-CD2 3.4Å; W171-F247 HydrophobicContact CH2-CD2 3.4Å; W171-F247 VanDerWaalsContact CH2-CD2 3.4Å; W171-F247 AromaticContact CH2-CE2 3.82Å; W171-F247 HydrophobicContact CH2-CE2 3.82Å; W171-F247 AromaticContact CH2-CG 3.83Å; W171-F247 HydrophobicContact CH2-CG 3.83Å; W171-F247 HydrophobicContact CZ2-CB 3.95Å; W171-F247 AromaticContact CZ2-CD2 3.7Å; W171-F247 HydrophobicContact CZ2-CD2 3.7Å; W171-F247 AromaticContact CZ2-CG 3.97Å; W171-F247 HydrophobicContact CZ2-CG 3.97Å; W171-Y285 AromaticContact CD1-CE1 3.9Å; W171-Y285 AromaticContact NE1-CE1 3.76Å; W171-Y285 AromaticContact NE1-CZ 3.77Å; W171-Y285 PolarHBondContact NE1-OH 3.17Å |
| 172 | I | 97.4 | Very high | 97 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 175.2 | -65.1 | 168.3 | 0 | 0 | 0 | 110.1 | V168 T169 L174 G175 H176 I187 L212 L215 | V168-I172 HydrophobicContact CG1-CD1 4.32Å; V168-I172 WeakPolarHBondContact O-CG1 3.47Å; V168-I172 PolarHBondContact O-N 3.19Å; T169-I172 PolarHBondContact O-N 2.84Å; I172-L174 PolarHBondContact O-N 2.87Å; I172-G175 CarbonylContact O-C 3.47Å; I172-G175 WeakPolarHBondContact O-CA 3.33Å; I172-G175 PolarHBondContact O-N 3.4Å; I172-G175 VanDerWaalsContact O-N 3.12Å; I172-H176 PolarHBondContact O-CD2 3.21Å; I172-H176 PolarHBondContact O-N 3.26Å; I172-I187 HydrophobicContact CG1-CD1 4.28Å; I172-L212 HydrophobicContact CD1-CB 4.22Å; I172-L215 HydrophobicContact CD1-CB 4.42Å; I172-L215 HydrophobicContact CD1-CD2 3.81Å |
| 173 | E | 96.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177.2 | -72.7 | 177.1 | -168.5 | 0 | 0 | 112.2 | T169 L170 G175 H176 K177 | T169-E173 WeakPolarHBondContact O-CG 3.32Å; T169-E173 PolarHBondContact O-N 2.92Å; L170-E173 PolarHBondContact O-N 3.33Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 2.86Å; E173-H176 PolarHBondContact O-N 2.96Å; E173-K177 WeakPolarHBondContact O-CB 2.95Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 2.96Å |
| 174 | L | 97.2 | Very high | 96.8 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 174.2 | -71.5 | 171.6 | 0 | 0 | 0 | 111.2 | L170 W171 I172 K177 R178 L179 K180 M182 L243 Y285 | L170-L174 WeakPolarHBondContact O-CB 3.23Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.45Å; W171-L174 PolarHBondContact O-N 2.78Å; I172-L174 PolarHBondContact O-N 2.87Å; L174-K177 CarbonylContact O-C 3.49Å; L174-K177 PolarHBondContact O-N 3.29Å; L174-R178 WeakPolarHBondContact O-CA 3.47Å; L174-R178 PolarHBondContact O-N 3.12Å; L174-L179 HydrophobicContact CD2-CB 3.77Å; L174-L179 HydrophobicContact CD2-CD1 4.45Å; L174-L179 PolarHBondContact O-N 3.2Å; L174-K180 HydrophobicContact CD2-CG 4.22Å; L174-M182 HydrophobicContact CB-CB 3.82Å; L174-M182 HydrophobicContact CB-CG 3.88Å; L174-M182 HydrophobicContact CD1-CG 4.48Å; L174-L243 HydrophobicContact CD1-CD1 4.08Å; L174-Y285 HydrophobicContact CD1-CD1 4.4Å; L174-Y285 HydrophobicContact CD1-CE1 4.44Å |
| 175 | G | 96.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W171 I172 E173 R178 | W171-G175 PolarHBondContact O-N 2.91Å; I172-G175 CarbonylContact O-C 3.47Å; I172-G175 WeakPolarHBondContact O-CA 3.33Å; I172-G175 PolarHBondContact O-N 3.4Å; I172-G175 VanDerWaalsContact O-N 3.12Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 2.86Å; G175-R178 PolarHBondContact O-N 3.2Å |
| 176 | H | 95.5 | Very high | 96.7 | Very high | 150 Ų | 150 | 59.9 Ų | 59.9 | 69% | 0.694 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 174.3 | -68.2 | 178.7 | 0 | 0 | 0 | 111.7 | I172 E173 R178 | I172-H176 PolarHBondContact O-CD2 3.21Å; I172-H176 PolarHBondContact O-N 3.26Å; E173-H176 PolarHBondContact O-N 2.96Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 3.35Å |
| 177 | K | 96 | Very high | 96.6 | Very high | 139 Ų | 139 | 58.7 Ų | 58.7 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -79.3 | -7.1 | 178.8 | -66 | 176.5 | 179.8 | 176 | 0 | 113.9 | E173 L174 L179 | E173-K177 WeakPolarHBondContact O-CB 2.95Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 2.96Å; L174-K177 CarbonylContact O-C 3.49Å; L174-K177 PolarHBondContact O-N 3.29Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 HydrophobicContact CB-CD1 3.8Å; K177-L179 HydrophobicContact CB-CG 3.85Å; K177-L179 HydrophobicContact CD-CD1 4.12Å; K177-L179 PolarHBondContact O-N 3.27Å |
| 178 | R | 95.5 | Very high | 96.6 | Very high | 195 Ų | 195 | 66.7 Ų | 66.7 | 74% | 0.736 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41.2 | -174.3 | -60.9 | -179.6 | 173.1 | 178.9 | -2.3 | 113.8 | L174 G175 H176 M182 | L174-R178 WeakPolarHBondContact O-CA 3.47Å; L174-R178 PolarHBondContact O-N 3.12Å; G175-R178 PolarHBondContact O-N 3.2Å; H176-R178 VanDerWaalsContact C-N 3.29Å; H176-R178 PolarHBondContact O-N 3.35Å; R178-M182 CarbonylContact C-O 3.59Å; R178-M182 WeakPolarHBondContact CA-O 3.43Å |
| 179 | L | 95.9 | Very high | 96.6 | Very high | 92 Ų | 92 | 69 Ų | 69 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | trans | -104.3 | 155.8 | -178.1 | -65.3 | 175.4 | 0 | 0 | 0 | 111.8 | L174 K177 N181 M182 | L174-L179 HydrophobicContact CD2-CB 3.77Å; L174-L179 HydrophobicContact CD2-CD1 4.45Å; L174-L179 PolarHBondContact O-N 3.2Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 HydrophobicContact CB-CD1 3.8Å; K177-L179 HydrophobicContact CB-CG 3.85Å; K177-L179 HydrophobicContact CD-CD1 4.12Å; K177-L179 PolarHBondContact O-N 3.27Å; L179-N181 PolarHBondContact O-N 3.07Å; L179-N181 VanDerWaalsContact O-N 3.14Å; L179-M182 WeakPolarHBondContact O-CB 3.33Å; L179-M182 PolarHBondContact O-N 2.89Å | ||
| 180 | K | 93.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.4 | 176.2 | -59.2 | -75.4 | -168.5 | 167.5 | 0 | 113.2 | L174 M182 P240 W283 | L174-K180 HydrophobicContact CD2-CG 4.22Å; K180-M182 PolarHBondContact O-N 3.12Å; K180-P240 WeakPolarHBondContact O-CB 3.47Å; K180-P240 WeakPolarHBondContact O-CG 3.36Å; K180-W283 PolarHBondContact NZ-O 3.09Å |
| 181 | N | 94.9 | Very high | 96.5 | Very high | 139 Ų | 139 | 66.9 Ų | 66.9 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 13.1 | -175.4 | -56.6 | -28.6 | 0 | 0 | 0 | 115.4 | L179 P240 | L179-N181 PolarHBondContact O-N 3.07Å; L179-N181 VanDerWaalsContact O-N 3.14Å; N181-P240 HydrophobicContact CB-CB 4.35Å; N181-P240 HydrophobicContact CB-CG 4.07Å |
| 182 | M | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | -80.3 | 142.9 | 167.7 | -68.9 | -65 | -64.2 | 0 | 0 | 110 | W171 L174 R178 L179 K180 V186 I187 L239 P240 L243 | W171-M182 HydrophobicContact CB-CE 3.81Å; W171-M182 WeakPolarHBondContact O-CE 3.41Å; L174-M182 HydrophobicContact CB-CB 3.82Å; L174-M182 HydrophobicContact CB-CG 3.88Å; L174-M182 HydrophobicContact CD1-CG 4.48Å; R178-M182 CarbonylContact C-O 3.59Å; R178-M182 WeakPolarHBondContact CA-O 3.43Å; L179-M182 WeakPolarHBondContact O-CB 3.33Å; L179-M182 PolarHBondContact O-N 2.89Å; K180-M182 PolarHBondContact O-N 3.12Å; M182-V186 HydrophobicContact CE-CB 4.42Å; M182-V186 HydrophobicContact CE-CG1 3.87Å; M182-V186 HydrophobicContact SD-CG1 3.89Å; M182-I187 HydrophobicContact CE-CD1 3.59Å; M182-I187 HydrophobicContact CE-CG1 4.42Å; M182-L239 HydrophobicContact CE-CD2 3.99Å; M182-L239 HydrophobicContact SD-CD2 3.73Å; M182-P240 HydrophobicContact CG-CG 4.01Å; M182-P240 WeakPolarHBondContact SD-CD 3.36Å; M182-P240 HydrophobicContact SD-CG 3.69Å; M182-L243 HydrophobicContact CG-CD1 3.8Å; M182-L243 HydrophobicContact SD-CD1 4.06Å | ||
| 183 | N | 96.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | trans | -156.3 | 174.1 | 173.1 | 58.8 | 57.7 | 0 | 0 | 0 | 110 | C185 V186 I187 | N183-C185 PolarHBondContact O-N 2.63Å; N183-C185 WeakPolarHBondContact OD1-CA 3.36Å; N183-C185 WeakPolarHBondContact OD1-CB 3.3Å; N183-C185 PolarHBondContact OD1-N 2.8Å; N183-V186 WeakPolarHBondContact O-CB 3.2Å; N183-V186 PolarHBondContact O-N 3.03Å; N183-V186 VanDerWaalsContact O-N 3.14Å; N183-V186 PolarHBondContact OD1-N 3.15Å; N183-I187 PolarHBondContact O-N 2.72Å | ||
| 184 | S | 95.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 58% | 0.58 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.4 | -27.3 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | R188 | S184-R188 WeakPolarHBondContact O-CB 3.36Å; S184-R188 PolarHBondContact O-N 3.44Å |
| 185 | C | 96.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 176.1 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | N183 R188 T189 | N183-C185 PolarHBondContact O-N 2.63Å; N183-C185 WeakPolarHBondContact OD1-CA 3.36Å; N183-C185 WeakPolarHBondContact OD1-CB 3.3Å; N183-C185 PolarHBondContact OD1-N 2.8Å; C185-R188 PolarHBondContact O-N 3.39Å; C185-T189 PolarHBondContact O-N 3.35Å; C185-T189 PolarHBondContact O-OG1 3.16Å |
| 186 | V | 97.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 78.1 Ų | 78.1 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 174 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | M182 N183 R188 T189 I190 I238 | M182-V186 HydrophobicContact CE-CB 4.42Å; M182-V186 HydrophobicContact CE-CG1 3.87Å; M182-V186 HydrophobicContact SD-CG1 3.89Å; N183-V186 WeakPolarHBondContact O-CB 3.2Å; N183-V186 PolarHBondContact O-N 3.03Å; N183-V186 VanDerWaalsContact O-N 3.14Å; N183-V186 PolarHBondContact OD1-N 3.15Å; V186-R188 PolarHBondContact O-N 3.39Å; V186-T189 PolarHBondContact O-N 3.03Å; V186-T189 VanDerWaalsContact O-N 3.17Å; V186-I190 HydrophobicContact CG1-CD1 4.02Å; V186-I190 WeakPolarHBondContact O-CG1 3.29Å; V186-I190 PolarHBondContact O-N 3.26Å; V186-I238 HydrophobicContact CG1-CG2 4.18Å |
| 187 | I | 97.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 178.4 | -59.2 | -58.6 | 0 | 0 | 0 | 111.3 | I172 M182 N183 T189 I190 N191 L212 | I172-I187 HydrophobicContact CG1-CD1 4.28Å; M182-I187 HydrophobicContact CE-CD1 3.59Å; M182-I187 HydrophobicContact CE-CG1 4.42Å; N183-I187 PolarHBondContact O-N 2.72Å; I187-T189 VanDerWaalsContact C-N 3.32Å; I187-T189 PolarHBondContact O-N 3.45Å; I187-I190 PolarHBondContact O-N 3.31Å; I187-N191 PolarHBondContact O-N 3.09Å; I187-L212 HydrophobicContact CD1-CD1 4.22Å; I187-L212 HydrophobicContact CG2-CD1 4.42Å |
| 188 | R | 97.5 | Very high | 95.9 | Very high | 170 Ų | 170 | 67.4 Ų | 67.4 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 176.6 | -178 | 173.7 | 60.2 | -171.9 | -2.1 | 112.3 | S184 C185 V186 N191 K192 | S184-R188 WeakPolarHBondContact O-CB 3.36Å; S184-R188 PolarHBondContact O-N 3.44Å; C185-R188 PolarHBondContact O-N 3.39Å; V186-R188 PolarHBondContact O-N 3.39Å; R188-N191 PolarHBondContact O-N 2.76Å; R188-K192 PolarHBondContact O-N 2.88Å |
| 189 | T | 97.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 65.5 Ų | 65.5 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | C185 V186 I187 N191 K192 L193 I238 | C185-T189 PolarHBondContact O-N 3.35Å; C185-T189 PolarHBondContact O-OG1 3.16Å; V186-T189 PolarHBondContact O-N 3.03Å; V186-T189 VanDerWaalsContact O-N 3.17Å; I187-T189 VanDerWaalsContact C-N 3.32Å; I187-T189 PolarHBondContact O-N 3.45Å; T189-N191 PolarHBondContact O-N 3.46Å; T189-K192 WeakPolarHBondContact O-CB 3.29Å; T189-K192 PolarHBondContact O-N 3.46Å; T189-L193 HydrophobicContact CG2-CD1 4.22Å; T189-L193 WeakPolarHBondContact O-CG 3.49Å; T189-L193 PolarHBondContact O-N 3.19Å; T189-I238 HydrophobicContact CG2-CD1 3.78Å; T189-I238 HydrophobicContact CG2-CG1 4.37Å; T189-I238 HydrophobicContact CG2-CG2 4.03Å |
| 190 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 175.7 | -62.8 | 166.9 | 0 | 0 | 0 | 110.5 | V186 I187 K192 L193 I194 L212 L235 I238 L239 | V186-I190 HydrophobicContact CG1-CD1 4.02Å; V186-I190 WeakPolarHBondContact O-CG1 3.29Å; V186-I190 PolarHBondContact O-N 3.26Å; I187-I190 PolarHBondContact O-N 3.31Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 3.44Å; I190-L193 PolarHBondContact O-N 2.95Å; I190-L193 VanDerWaalsContact O-N 3.12Å; I190-I194 HydrophobicContact CG2-CD1 3.84Å; I190-I194 HydrophobicContact CG2-CG1 4.25Å; I190-I194 WeakPolarHBondContact O-CG1 3.14Å; I190-I194 PolarHBondContact O-N 3.49Å; I190-L212 HydrophobicContact CB-CD1 4.14Å; I190-L212 HydrophobicContact CD1-CD1 4.26Å; I190-L212 HydrophobicContact CG2-CD1 3.71Å; I190-L212 HydrophobicContact CG2-CD2 4.25Å; I190-L212 HydrophobicContact CG2-CG 3.95Å; I190-L235 HydrophobicContact CD1-CD2 3.85Å; I190-L235 HydrophobicContact CG1-CD2 3.85Å; I190-L235 HydrophobicContact CG2-CD2 3.84Å; I190-I238 HydrophobicContact CD1-CG2 4.36Å; I190-I238 HydrophobicContact CG1-CG2 3.63Å; I190-L239 HydrophobicContact CD1-CD2 3.96Å; I190-L239 HydrophobicContact CD1-CG 4.4Å |
| 191 | N | 97.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 177.3 | -72.5 | -16.1 | 0 | 0 | 0 | 112.6 | I187 R188 T189 L193 I194 S195 T211 L212 D213 | I187-N191 PolarHBondContact O-N 3.09Å; R188-N191 PolarHBondContact O-N 2.76Å; T189-N191 PolarHBondContact O-N 3.46Å; N191-L193 VanDerWaalsContact C-N 3.34Å; N191-L193 PolarHBondContact O-N 3.41Å; N191-I194 PolarHBondContact O-N 2.85Å; N191-S195 WeakPolarHBondContact O-CB 2.87Å; N191-S195 PolarHBondContact O-N 3.48Å; N191-S195 PolarHBondContact O-OG 2.97Å; N191-T211 HydrophobicContact CB-CG2 4Å; N191-T211 WeakPolarHBondContact OD1-CB 3.28Å; N191-L212 WeakPolarHBondContact OD1-CB 3.49Å; N191-L212 VanDerWaalsContact OD1-CG 3.32Å; N191-L212 WeakPolarHBondContact OD1-CG 3.39Å; N191-L212 PolarHBondContact OD1-N 2.81Å; N191-D213 PolarHBondContact ND2-OD1 2.74Å; N191-D213 PolarHBondContact ND2-OD2 3.42Å |
| 192 | K | 96.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 50.2 Ų | 50.2 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.6 | -174.6 | 178.2 | -178.2 | 179.1 | 0 | 111.7 | R188 T189 I190 S195 R196 | R188-K192 PolarHBondContact O-N 2.88Å; T189-K192 WeakPolarHBondContact O-CB 3.29Å; T189-K192 PolarHBondContact O-N 3.46Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 3.44Å; K192-S195 PolarHBondContact O-N 3.44Å; K192-R196 WeakPolarHBondContact O-CG 3.37Å; K192-R196 PolarHBondContact O-N 2.87Å; K192-R196 VanDerWaalsContact O-N 3.15Å |
| 193 | L | 95.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70 | -43.2 | 178.4 | -66.9 | 171.8 | 0 | 0 | 0 | 112.1 | T189 I190 N191 S195 R196 C197 I234 I238 | T189-L193 HydrophobicContact CG2-CD1 4.22Å; T189-L193 WeakPolarHBondContact O-CG 3.49Å; T189-L193 PolarHBondContact O-N 3.19Å; I190-L193 PolarHBondContact O-N 2.95Å; I190-L193 VanDerWaalsContact O-N 3.12Å; N191-L193 VanDerWaalsContact C-N 3.34Å; N191-L193 PolarHBondContact O-N 3.41Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.12Å; L193-R196 PolarHBondContact O-N 2.92Å; L193-C197 PolarHBondContact O-N 3.3Å; L193-C197 PolarHBondContact O-SG 2.87Å; L193-C197 VanDerWaalsContact O-SG 3.34Å; L193-I234 HydrophobicContact CB-CB 4.03Å; L193-I234 HydrophobicContact CB-CD1 4.42Å; L193-I234 HydrophobicContact CB-CG2 4.39Å; L193-I234 HydrophobicContact CD1-CB 4.28Å; L193-I234 VanDerWaalsContact CD1-O 3.22Å; L193-I234 WeakPolarHBondContact CD1-O 3.41Å; L193-I238 HydrophobicContact CD1-CD1 4.34Å; L193-I238 HydrophobicContact CD1-CG1 3.82Å |
| 194 | I | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 173.6 | -67.5 | 171.1 | 0 | 0 | 0 | 110.3 | I190 N191 R196 C197 V198 C209 L212 F226 I234 | I190-I194 HydrophobicContact CG2-CD1 3.84Å; I190-I194 HydrophobicContact CG2-CG1 4.25Å; I190-I194 WeakPolarHBondContact O-CG1 3.14Å; I190-I194 PolarHBondContact O-N 3.49Å; N191-I194 PolarHBondContact O-N 2.85Å; I194-R196 VanDerWaalsContact C-N 3.29Å; I194-R196 PolarHBondContact O-N 3.18Å; I194-C197 PolarHBondContact O-N 3.14Å; I194-C197 VanDerWaalsContact O-N 3.09Å; I194-V198 PolarHBondContact O-N 3.05Å; I194-C209 HydrophobicContact CG2-CB 4.19Å; I194-C209 VanDerWaalsContact CG2-O 3.25Å; I194-C209 WeakPolarHBondContact CG2-O 3.19Å; I194-L212 HydrophobicContact CD1-CD2 3.53Å; I194-L212 HydrophobicContact CD1-CG 4.04Å; I194-F226 HydrophobicContact CD1-CD2 4.46Å; I194-F226 HydrophobicContact CD1-CE2 4.04Å; I194-F226 HydrophobicContact CG1-CE2 4.42Å; I194-I234 HydrophobicContact CG1-CD1 3.52Å |
| 195 | S | 95.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 49.2 Ų | 49.2 | 43% | 0.434 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60 | -39.3 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | N191 K192 L193 V198 T211 | N191-S195 WeakPolarHBondContact O-CB 2.87Å; N191-S195 PolarHBondContact O-N 3.48Å; N191-S195 PolarHBondContact O-OG 2.97Å; K192-S195 PolarHBondContact O-N 3.44Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 3.12Å; S195-V198 WeakPolarHBondContact O-CB 3.41Å; S195-V198 WeakPolarHBondContact O-CG2 3.17Å; S195-V198 PolarHBondContact O-N 3.41Å; S195-T211 WeakPolarHBondContact OG-CG2 3.33Å |
| 196 | R | 93.4 | Very high | 94.3 | Very high | 143 Ų | 143 | 51.9 Ų | 51.9 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 175.1 | -72.9 | 171 | 171.7 | -172.4 | -8.5 | 112.9 | K192 L193 I194 V198 | K192-R196 WeakPolarHBondContact O-CG 3.37Å; K192-R196 PolarHBondContact O-N 2.87Å; K192-R196 VanDerWaalsContact O-N 3.15Å; L193-R196 PolarHBondContact O-N 2.92Å; I194-R196 VanDerWaalsContact C-N 3.29Å; I194-R196 PolarHBondContact O-N 3.18Å; R196-V198 PolarHBondContact O-N 2.99Å |
| 197 | C | 94.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.8 | -12.4 | 179.7 | -68.3 | 0 | 0 | 0 | 0 | 114 | L193 I194 E199 S200 T201 L230 I234 | L193-C197 PolarHBondContact O-N 3.3Å; L193-C197 PolarHBondContact O-SG 2.87Å; L193-C197 VanDerWaalsContact O-SG 3.34Å; I194-C197 PolarHBondContact O-N 3.14Å; I194-C197 VanDerWaalsContact O-N 3.09Å; C197-E199 VanDerWaalsContact C-N 3.32Å; C197-E199 PolarHBondContact O-N 2.88Å; C197-S200 CarbonylContact O-C 3.57Å; C197-S200 PolarHBondContact O-N 3.36Å; C197-S200 VanDerWaalsContact O-N 3.16Å; C197-T201 PolarHBondContact O-N 2.92Å; C197-T201 VanDerWaalsContact O-N 3.16Å; C197-T201 PolarHBondContact O-OG1 3.2Å; C197-L230 HydrophobicContact CB-CD1 4.34Å; C197-L230 HydrophobicContact CB-CD2 3.7Å; C197-I234 VanDerWaalsContact SG-CG2 3.58Å |
| 198 | V | 92.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 35% | 0.345 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -45.1 | 178.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | I194 S195 R196 S200 T201 K208 | I194-V198 PolarHBondContact O-N 3.05Å; S195-V198 WeakPolarHBondContact O-CB 3.41Å; S195-V198 WeakPolarHBondContact O-CG2 3.17Å; S195-V198 PolarHBondContact O-N 3.41Å; R196-V198 PolarHBondContact O-N 2.99Å; V198-S200 PolarHBondContact O-N 3.24Å; V198-T201 PolarHBondContact O-N 2.71Å; V198-K208 HydrophobicContact CG1-CB 4.08Å; V198-K208 HydrophobicContact CG1-CG 4.03Å; V198-K208 HydrophobicContact CG2-CB 4.42Å |
| 199 | E | 89.1 | Confident | 93.4 | Very high | 155 Ų | 155 | 51 Ų | 51 | 72% | 0.724 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.4 | 178.9 | -66.1 | 175.6 | -175.4 | 0 | 0 | 112.2 | C197 H386 | C197-E199 VanDerWaalsContact C-N 3.32Å; C197-E199 PolarHBondContact O-N 2.88Å; E199-H386 PolarHBondContact O-NE2 3.4Å |
| 200 | S | 88.8 | Confident | 93.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.8 | -178.3 | -52.5 | 0 | 0 | 0 | 0 | 114.9 | C197 V198 P202 H386 S456 N458 | C197-S200 CarbonylContact O-C 3.57Å; C197-S200 PolarHBondContact O-N 3.36Å; C197-S200 VanDerWaalsContact O-N 3.16Å; V198-S200 PolarHBondContact O-N 3.24Å; S200-P202 WeakPolarHBondContact O-CD 3.36Å; S200-H386 WeakPolarHBondContact CA-NE2 3.42Å; S200-H386 PolarHBondContact OG-NE2 2.92Å; S200-S456 VanDerWaalsContact CB-O 3.24Å; S200-S456 WeakPolarHBondContact CB-O 3.28Å; S200-N458 PolarHBondContact OG-ND2 2.82Å; S200-N458 VanDerWaalsContact OG-ND2 3.1Å |
| 201 | T | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -84.3 | 121.6 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 110 | C197 V198 F205 K208 L225 P387 | C197-T201 PolarHBondContact O-N 2.92Å; C197-T201 VanDerWaalsContact O-N 3.16Å; C197-T201 PolarHBondContact O-OG1 3.2Å; V198-T201 PolarHBondContact O-N 2.71Å; T201-F205 HydrophobicContact CG2-CB 3.73Å; T201-F205 HydrophobicContact CG2-CD2 3.69Å; T201-F205 HydrophobicContact CG2-CG 3.98Å; T201-K208 HydrophobicContact CG2-CD 3.61Å; T201-K208 PolarHBondContact O-NZ 3.1Å; T201-L225 HydrophobicContact CG2-CD1 4.47Å; T201-L225 HydrophobicContact CG2-CD2 3.92Å; T201-P387 VanDerWaalsContact O-CG 3.23Å; T201-P387 WeakPolarHBondContact O-CG 3.34Å |
| 202 | P | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -55.3 | 158.2 | 175.6 | -28.9 | 37.8 | 0 | 0 | 0 | 114.1 | S200 D204 F205 K208 M455 L468 | S200-P202 WeakPolarHBondContact O-CD 3.36Å; P202-D204 HydrophobicContact CB-CB 4.44Å; P202-D204 WeakPolarHBondContact CB-OD2 3.31Å; P202-D204 PolarHBondContact O-N 3.17Å; P202-F205 HydrophobicContact CB-CD2 4.35Å; P202-F205 HydrophobicContact CG-CE2 4.4Å; P202-F205 PolarHBondContact O-N 3.37Å; P202-K208 PolarHBondContact O-NZ 2.84Å; P202-M455 HydrophobicContact CG-CB 4.08Å; P202-M455 HydrophobicContact CG-CG 4.4Å; P202-L468 HydrophobicContact CB-CD1 4.08Å; P202-L468 HydrophobicContact CG-CD1 4.11Å; P202-L468 HydrophobicContact CG-CD2 4.39Å | ||
| 203 | S | 94.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.2 | 174.5 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | F205 D388 | S203-F205 PolarHBondContact O-N 3.3Å; S203-D388 WeakPolarHBondContact CB-OD1 3.41Å; S203-D388 PolarHBondContact N-OD1 3.38Å; S203-D388 PolarHBondContact N-OD2 3.14Å; S203-D388 VanDerWaalsContact OG-CG 3.25Å; S203-D388 PolarHBondContact OG-OD1 3.08Å; S203-D388 PolarHBondContact OG-OD2 3.2Å |
| 204 | D | 93.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.7 | 173.6 | -60.3 | -103.5 | 0 | 0 | 0 | 113.8 | P202 P206 S380 K453 L468 H470 | P202-D204 HydrophobicContact CB-CB 4.44Å; P202-D204 WeakPolarHBondContact CB-OD2 3.31Å; P202-D204 PolarHBondContact O-N 3.17Å; D204-P206 WeakPolarHBondContact O-CD 3.4Å; D204-S380 VanDerWaalsContact CG-OG 3.25Å; D204-S380 WeakPolarHBondContact OD1-CB 3.31Å; D204-S380 PolarHBondContact OD1-OG 2.83Å; D204-S380 PolarHBondContact OD2-OG 3.04Å; D204-K453 WeakPolarHBondContact OD2-CE 3.41Å; D204-K453 IonicContact OD2-NZ 3.69Å; D204-K453 PolarHBondContact OD2-NZ 3.14Å; D204-L468 HydrophobicContact CB-CD1 4.17Å; D204-L468 WeakPolarHBondContact OD2-CD1 3.44Å; D204-H470 IonicContact OD1-CD2 3.65Å; D204-H470 IonicContact OD1-CE1 2.92Å; D204-H470 IonicContact OD1-NE2 3.98Å; D204-H470 PolarHBondContact OD1-NE2 2.98Å |
| 205 | F | 92.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | trans | -93.4 | 105.3 | 179.7 | -61.7 | -81.9 | 0 | 0 | 0 | 109.3 | T201 P202 S203 R207 L225 Y229 M455 L468 | T201-F205 HydrophobicContact CG2-CB 3.73Å; T201-F205 HydrophobicContact CG2-CD2 3.69Å; T201-F205 HydrophobicContact CG2-CG 3.98Å; P202-F205 HydrophobicContact CB-CD2 4.35Å; P202-F205 HydrophobicContact CG-CE2 4.4Å; P202-F205 PolarHBondContact O-N 3.37Å; S203-F205 PolarHBondContact O-N 3.3Å; F205-R207 PolarHBondContact O-N 3.38Å; F205-L225 HydrophobicContact CB-CD2 4.39Å; F205-L225 HydrophobicContact CD1-CB 4.13Å; F205-L225 HydrophobicContact CD1-CD1 3.83Å; F205-L225 HydrophobicContact CD1-CD2 4.4Å; F205-L225 HydrophobicContact CD1-CG 4.33Å; F205-L225 HydrophobicContact CD2-CD1 4.15Å; F205-L225 HydrophobicContact CE1-CB 4.3Å; F205-L225 HydrophobicContact CE1-CD1 3.71Å; F205-L225 HydrophobicContact CE2-CD1 4.03Å; F205-L225 HydrophobicContact CG-CD1 4.04Å; F205-L225 HydrophobicContact CG-CD2 4.34Å; F205-L225 HydrophobicContact CZ-CD1 3.81Å; F205-Y229 HydrophobicContact CE1-CD2 4.04Å; F205-Y229 AromaticContact CE1-CE2 3.81Å; F205-Y229 HydrophobicContact CE1-CE2 3.81Å; F205-Y229 AromaticContact CZ-CD2 3.79Å; F205-Y229 HydrophobicContact CZ-CD2 3.79Å; F205-Y229 AromaticContact CZ-CE2 3.61Å; F205-Y229 HydrophobicContact CZ-CE2 3.61Å; F205-Y229 HydrophobicContact CZ-CG 4.36Å; F205-M455 HydrophobicContact CE2-SD 4.48Å; F205-L468 HydrophobicContact CE2-CD2 3.6Å; F205-L468 HydrophobicContact CZ-CD2 3.79Å | ||
| 206 | P | 84.5 | Confident | 93.2 | Very high | 112 Ų | 112 | 59.3 Ų | 59.3 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64.9 | -16.4 | -176 | 27 | -36.5 | 0 | 0 | 0 | 112.9 | D204 | D204-P206 WeakPolarHBondContact O-CD 3.4Š|
| 207 | R | 87.7 | Confident | 93.3 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -128.3 | 131.9 | 173.1 | -63 | -174 | -176.8 | -78.2 | -4.5 | 109.3 | F205 E222 | F205-R207 PolarHBondContact O-N 3.38Å; R207-E222 HydrophobicContact CB-CG 3.95Å |
| 208 | K | 91.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 148.3 | 166.3 | -49.6 | -59.6 | -178.8 | -170.8 | 0 | 108.7 | V198 T201 P202 R210 | V198-K208 HydrophobicContact CG1-CB 4.08Å; V198-K208 HydrophobicContact CG1-CG 4.03Å; V198-K208 HydrophobicContact CG2-CB 4.42Å; T201-K208 HydrophobicContact CG2-CD 3.61Å; T201-K208 PolarHBondContact O-NZ 3.1Å; P202-K208 PolarHBondContact O-NZ 2.84Å; K208-R210 PolarHBondContact O-N 3.36Å |
| 209 | C | 93.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 120.2 | 179.8 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | I194 L225 L230 | I194-C209 HydrophobicContact CG2-CB 4.19Å; I194-C209 VanDerWaalsContact CG2-O 3.25Å; I194-C209 WeakPolarHBondContact CG2-O 3.19Å; C209-L225 HydrophobicContact CB-CD2 4.03Å; C209-L230 HydrophobicContact CB-CD1 3.6Å |
| 210 | R | 96.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 160.4 | 172.2 | -72.5 | 171.5 | -75.6 | 178.2 | -1.6 | 110.8 | K208 Y214 V217 W218 E222 | K208-R210 PolarHBondContact O-N 3.36Å; R210-Y214 HydrophobicContact CB-CD2 4.37Å; R210-Y214 HydrophobicContact CB-CG 4.47Å; R210-V217 VanDerWaalsContact NH2-C 3.35Å; R210-V217 PolarHBondContact NH2-O 2.84Å; R210-W218 WeakPolarHBondContact O-CZ2 3.44Å; R210-W218 PolarHBondContact O-NE1 3.32Å; R210-E222 IonicContact CZ-OE1 3.54Å; R210-E222 IonicContact CZ-OE2 2.67Å; R210-E222 PolarHBondContact N-OE1 3.38Å; R210-E222 IonicContact NE-OE1 3.62Å; R210-E222 PolarHBondContact NE-OE1 2.85Å; R210-E222 IonicContact NE-OE2 3.33Å; R210-E222 IonicContact NH2-OE1 2.65Å; R210-E222 PolarHBondContact NH2-OE1 3.42Å; R210-E222 IonicContact NH2-OE2 3.46Å; R210-E222 PolarHBondContact NH2-OE2 3.29Å |
| 211 | T | 97.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 164.6 | 174.9 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | N191 S195 D213 Y214 W218 | N191-T211 HydrophobicContact CB-CG2 4Å; N191-T211 WeakPolarHBondContact OD1-CB 3.28Å; S195-T211 WeakPolarHBondContact OG-CG2 3.33Å; T211-D213 PolarHBondContact O-N 3.01Å; T211-D213 VanDerWaalsContact O-N 3.16Å; T211-D213 PolarHBondContact OG1-OD2 3.01Å; T211-Y214 PolarHBondContact O-N 3.4Å; T211-Y214 VanDerWaalsContact O-N 3.07Å; T211-Y214 WeakPolarHBondContact OG1-CD2 3.47Å; T211-W218 PolarHBondContact O-NE1 2.99Å; T211-W218 VanDerWaalsContact O-NE1 3.14Å |
| 212 | L | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61 | -23 | 179.6 | -54.6 | -165.6 | 0 | 0 | 0 | 112.3 | V168 I172 I187 I190 N191 I194 Y214 L215 W218 | V168-L212 HydrophobicContact CG1-CB 4.46Å; V168-L212 HydrophobicContact CG1-CD1 4.1Å; V168-L212 HydrophobicContact CG1-CD2 3.6Å; V168-L212 HydrophobicContact CG1-CG 4.25Å; I172-L212 HydrophobicContact CD1-CB 4.22Å; I187-L212 HydrophobicContact CD1-CD1 4.22Å; I187-L212 HydrophobicContact CG2-CD1 4.42Å; I190-L212 HydrophobicContact CB-CD1 4.14Å; I190-L212 HydrophobicContact CD1-CD1 4.26Å; I190-L212 HydrophobicContact CG2-CD1 3.71Å; I190-L212 HydrophobicContact CG2-CD2 4.25Å; I190-L212 HydrophobicContact CG2-CG 3.95Å; N191-L212 WeakPolarHBondContact OD1-CB 3.49Å; N191-L212 VanDerWaalsContact OD1-CG 3.32Å; N191-L212 WeakPolarHBondContact OD1-CG 3.39Å; N191-L212 PolarHBondContact OD1-N 2.81Å; I194-L212 HydrophobicContact CD1-CD2 3.53Å; I194-L212 HydrophobicContact CD1-CG 4.04Å; L212-Y214 PolarHBondContact O-N 2.89Å; L212-Y214 VanDerWaalsContact O-N 3.16Å; L212-L215 VanDerWaalsContact O-CB 3.23Å; L212-L215 WeakPolarHBondContact O-CB 3.34Å; L212-L215 PolarHBondContact O-N 3.4Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L212-W218 HydrophobicContact CD2-CH2 3.67Å; L212-W218 HydrophobicContact CD2-CZ2 3.7Å |
| 213 | D | 95.7 | Very high | 94.5 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -60.6 | -24.5 | 176.2 | -45.9 | -47.5 | 0 | 0 | 0 | 112.4 | N191 T211 | N191-D213 PolarHBondContact ND2-OD1 2.74Å; N191-D213 PolarHBondContact ND2-OD2 3.42Å; T211-D213 PolarHBondContact O-N 3.01Å; T211-D213 VanDerWaalsContact O-N 3.16Å; T211-D213 PolarHBondContact OG1-OD2 3.01Å |
| 214 | Y | 96.7 | Very high | 94.7 | Very high | 132 Ų | 132 | 51.3 Ų | 51.3 | 52% | 0.518 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -104.4 | 18 | 179.8 | -60.2 | -83.4 | 0 | 0 | 0 | 112.9 | R210 T211 L212 S216 V217 W218 | R210-Y214 HydrophobicContact CB-CD2 4.37Å; R210-Y214 HydrophobicContact CB-CG 4.47Å; T211-Y214 PolarHBondContact O-N 3.4Å; T211-Y214 VanDerWaalsContact O-N 3.07Å; T211-Y214 WeakPolarHBondContact OG1-CD2 3.47Å; L212-Y214 PolarHBondContact O-N 2.89Å; L212-Y214 VanDerWaalsContact O-N 3.16Å; Y214-S216 PolarHBondContact O-N 3.48Å; Y214-S216 VanDerWaalsContact O-N 3.16Å; Y214-V217 HydrophobicContact CD1-CG2 4.48Å; Y214-V217 WeakPolarHBondContact O-CG2 3.44Å; Y214-V217 PolarHBondContact O-N 3.07Å; Y214-W218 PolarHBondContact O-N 2.88Å |
| 215 | L | 96.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -53.4 | -38.9 | -175.7 | 179 | 63.7 | 0 | 0 | 0 | 113.5 | K165 V168 T169 I172 L212 V217 W218 | K165-L215 HydrophobicContact CB-CD1 4.42Å; K165-L215 HydrophobicContact CG-CD1 4.22Å; V168-L215 HydrophobicContact CB-CD1 3.95Å; V168-L215 HydrophobicContact CB-CD2 3.86Å; V168-L215 HydrophobicContact CG1-CD1 3.88Å; V168-L215 HydrophobicContact CG1-CD2 3.67Å; V168-L215 HydrophobicContact CG1-CG 4.3Å; T169-L215 VanDerWaalsContact OG1-CD2 3.29Å; T169-L215 WeakPolarHBondContact OG1-CD2 3.1Å; I172-L215 HydrophobicContact CD1-CB 4.42Å; I172-L215 HydrophobicContact CD1-CD2 3.81Å; L212-L215 VanDerWaalsContact O-CB 3.23Å; L212-L215 WeakPolarHBondContact O-CB 3.34Å; L212-L215 PolarHBondContact O-N 3.4Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L215-V217 PolarHBondContact O-N 3.36Å; L215-V217 VanDerWaalsContact O-N 3.16Å; L215-W218 HydrophobicContact CD1-CD2 3.74Å; L215-W218 HydrophobicContact CD1-CE3 3.58Å; L215-W218 HydrophobicContact CD1-CG 4.22Å; L215-W218 HydrophobicContact CD1-CZ3 4Å; L215-W218 WeakPolarHBondContact O-CB 3.48Å; L215-W218 PolarHBondContact O-N 3.34Å; L215-W218 VanDerWaalsContact O-N 3.16Å |
| 216 | S | 94.5 | Very high | 95.1 | Very high | 106 Ų | 106 | 49 Ų | 49 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -56.8 | -33.2 | -179.7 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | Y214 | Y214-S216 PolarHBondContact O-N 3.48Å; Y214-S216 VanDerWaalsContact O-N 3.16Å |
| 217 | V | 95.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 42% | 0.424 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -102.3 | -1 | -177.7 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | R210 Y214 L215 K219 | R210-V217 VanDerWaalsContact NH2-C 3.35Å; R210-V217 PolarHBondContact NH2-O 2.84Å; Y214-V217 HydrophobicContact CD1-CG2 4.48Å; Y214-V217 WeakPolarHBondContact O-CG2 3.44Å; Y214-V217 PolarHBondContact O-N 3.07Å; L215-V217 PolarHBondContact O-N 3.36Å; L215-V217 VanDerWaalsContact O-N 3.16Å; V217-K219 PolarHBondContact O-N 3.08Å |
| 218 | W | 96.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | trans | -51.7 | 138 | 174.4 | -81.7 | 17.6 | 0 | 0 | 0 | 111.3 | K165 V168 R210 T211 L212 Y214 L215 F226 | K165-W218 WeakPolarHBondContact CE-O 3.45Å; K165-W218 PolarHBondContact NZ-O 2.83Å; V168-W218 HydrophobicContact CG2-CZ3 4.26Å; R210-W218 WeakPolarHBondContact O-CZ2 3.44Å; R210-W218 PolarHBondContact O-NE1 3.32Å; T211-W218 PolarHBondContact O-NE1 2.99Å; T211-W218 VanDerWaalsContact O-NE1 3.14Å; L212-W218 HydrophobicContact CD2-CH2 3.67Å; L212-W218 HydrophobicContact CD2-CZ2 3.7Å; Y214-W218 PolarHBondContact O-N 2.88Å; L215-W218 HydrophobicContact CD1-CD2 3.74Å; L215-W218 HydrophobicContact CD1-CE3 3.58Å; L215-W218 HydrophobicContact CD1-CG 4.22Å; L215-W218 HydrophobicContact CD1-CZ3 4Å; L215-W218 WeakPolarHBondContact O-CB 3.48Å; L215-W218 PolarHBondContact O-N 3.34Å; L215-W218 VanDerWaalsContact O-N 3.16Å; W218-F226 HydrophobicContact CH2-CB 4.33Å; W218-F226 HydrophobicContact CH2-CD1 4.34Å; W218-F226 AromaticContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CE2 4.27Å; W218-F226 AromaticContact CH2-CG 3.93Å; W218-F226 HydrophobicContact CH2-CG 3.93Å; W218-F226 HydrophobicContact CZ3-CB 4.12Å; W218-F226 HydrophobicContact CZ3-CD1 4.19Å; W218-F226 HydrophobicContact CZ3-CD2 4.44Å; W218-F226 AromaticContact CZ3-CG 3.99Å; W218-F226 HydrophobicContact CZ3-CG 3.99Å | ||
| 219 | K | 95.5 | Very high | 96.5 | Very high | 114 Ų | 114 | 35.1 Ų | 35.1 | 50% | 0.496 | 18% | 0.18 | S | C | . | . | trans | -93.4 | 161.6 | 173 | -61.8 | -60.9 | -175.8 | 179.2 | 0 | 110.6 | V217 T221 E222 C223 | V217-K219 PolarHBondContact O-N 3.08Å; K219-T221 PolarHBondContact O-N 3.02Å; K219-T221 VanDerWaalsContact O-N 3.15Å; K219-E222 PolarHBondContact N-OE2 3.24Å; K219-E222 WeakPolarHBondContact O-CB 3.09Å; K219-E222 PolarHBondContact O-N 2.94Å; K219-C223 PolarHBondContact O-N 3.45Å; K219-C223 VanDerWaalsContact O-N 3.09Å | ||
| 220 | A | 96.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 35 Ų | 35 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.8 | -36.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M156 L161 E222 C223 R224 F316 | M156-A220 HydrophobicContact CG-CB 3.51Å; M156-A220 HydrophobicContact SD-CB 4.23Å; L161-A220 HydrophobicContact CD1-CB 4.07Å; L161-A220 HydrophobicContact CD2-CB 4Å; L161-A220 HydrophobicContact CG-CB 3.74Å; A220-E222 VanDerWaalsContact C-N 3.35Å; A220-E222 PolarHBondContact O-N 3.49Å; A220-C223 PolarHBondContact O-N 3.22Å; A220-R224 WeakPolarHBondContact O-CB 3.08Å; A220-R224 PolarHBondContact O-N 3.35Å; A220-F316 HydrophobicContact CB-CE1 3.59Å; A220-F316 HydrophobicContact CB-CZ 3.85Å |
| 221 | T | 95.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | K219 L225 F316 | K219-T221 PolarHBondContact O-N 3.02Å; K219-T221 VanDerWaalsContact O-N 3.15Å; T221-L225 WeakPolarHBondContact O-CB 2.98Å; T221-L225 PolarHBondContact O-N 3.05Å; T221-F316 HydrophobicContact CG2-CD1 4.28Å; T221-F316 HydrophobicContact CG2-CE1 3.71Å |
| 222 | E | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.6 | -40.6 | 176 | -69.7 | 165.9 | 91.6 | 0 | 0 | 110.8 | R207 R210 K219 A220 R224 L225 F226 | R207-E222 HydrophobicContact CB-CG 3.95Å; R210-E222 IonicContact CZ-OE1 3.54Å; R210-E222 IonicContact CZ-OE2 2.67Å; R210-E222 PolarHBondContact N-OE1 3.38Å; R210-E222 IonicContact NE-OE1 3.62Å; R210-E222 PolarHBondContact NE-OE1 2.85Å; R210-E222 IonicContact NE-OE2 3.33Å; R210-E222 IonicContact NH2-OE1 2.65Å; R210-E222 PolarHBondContact NH2-OE1 3.42Å; R210-E222 IonicContact NH2-OE2 3.46Å; R210-E222 PolarHBondContact NH2-OE2 3.29Å; K219-E222 PolarHBondContact N-OE2 3.24Å; K219-E222 WeakPolarHBondContact O-CB 3.09Å; K219-E222 PolarHBondContact O-N 2.94Å; A220-E222 VanDerWaalsContact C-N 3.35Å; A220-E222 PolarHBondContact O-N 3.49Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 3.45Å; E222-L225 PolarHBondContact O-N 2.66Å; E222-F226 VanDerWaalsContact O-CB 3.29Å; E222-F226 WeakPolarHBondContact O-CB 3.29Å; E222-F226 PolarHBondContact O-N 2.93Å |
| 223 | C | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 173.2 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | Y160 T164 K165 K219 A220 F226 L227 | Y160-C223 WeakPolarHBondContact O-CB 3.22Å; Y160-C223 PolarHBondContact O-SG 3.26Å; Y160-C223 VanDerWaalsContact O-SG 3.38Å; T164-C223 HydrophobicContact CG2-CB 4.27Å; K165-C223 VanDerWaalsContact CG-SG 3.54Å; K219-C223 PolarHBondContact O-N 3.45Å; K219-C223 VanDerWaalsContact O-N 3.09Å; A220-C223 PolarHBondContact O-N 3.22Å; C223-F226 PolarHBondContact O-N 3.25Å; C223-L227 VanDerWaalsContact O-CB 3.28Å; C223-L227 WeakPolarHBondContact O-CB 3.4Å; C223-L227 PolarHBondContact O-N 3.48Å |
| 224 | R | 97.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 9% | 0.094 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.7 | -176.1 | 174.3 | 177.3 | -76.9 | 2.1 | 111.6 | Y160 A220 E222 F226 L227 L228 D311 F316 | Y160-R224 HydrophobicContact CD1-CB 3.83Å; Y160-R224 HydrophobicContact CD1-CG 4.23Å; Y160-R224 HydrophobicContact CD2-CB 3.95Å; Y160-R224 HydrophobicContact CD2-CG 4.33Å; Y160-R224 HydrophobicContact CE1-CB 3.92Å; Y160-R224 HydrophobicContact CE1-CG 3.78Å; Y160-R224 HydrophobicContact CE2-CB 4.1Å; Y160-R224 HydrophobicContact CE2-CG 3.95Å; Y160-R224 HydrophobicContact CG-CB 3.87Å; A220-R224 WeakPolarHBondContact O-CB 3.08Å; A220-R224 PolarHBondContact O-N 3.35Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 3.45Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 PolarHBondContact O-N 3.31Å; R224-L227 PolarHBondContact O-N 2.98Å; R224-L228 HydrophobicContact CG-CD1 3.7Å; R224-L228 HydrophobicContact CG-CG 4.3Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 WeakPolarHBondContact O-CG 3.23Å; R224-L228 PolarHBondContact O-N 3.24Å; R224-D311 IonicContact CZ-OD1 2.78Å; R224-D311 IonicContact CZ-OD2 2.65Å; R224-D311 IonicContact NE-OD1 2.76Å; R224-D311 PolarHBondContact NE-OD1 3.27Å; R224-D311 IonicContact NE-OD2 3.83Å; R224-D311 IonicContact NH2-OD1 3.85Å; R224-D311 IonicContact NH2-OD2 3.63Å; R224-D311 PolarHBondContact NH2-OD2 3.43Å; R224-F316 HydrophobicContact CB-CZ 4.48Å |
| 225 | L | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 175.1 | 173 | 59.7 | 0 | 0 | 0 | 111.5 | T201 F205 C209 T221 E222 Y229 L230 M455 | T201-L225 HydrophobicContact CG2-CD1 4.47Å; T201-L225 HydrophobicContact CG2-CD2 3.92Å; F205-L225 HydrophobicContact CB-CD2 4.39Å; F205-L225 HydrophobicContact CD1-CB 4.13Å; F205-L225 HydrophobicContact CD1-CD1 3.83Å; F205-L225 HydrophobicContact CD1-CD2 4.4Å; F205-L225 HydrophobicContact CD1-CG 4.33Å; F205-L225 HydrophobicContact CD2-CD1 4.15Å; F205-L225 HydrophobicContact CE1-CB 4.3Å; F205-L225 HydrophobicContact CE1-CD1 3.71Å; F205-L225 HydrophobicContact CE2-CD1 4.03Å; F205-L225 HydrophobicContact CG-CD1 4.04Å; F205-L225 HydrophobicContact CG-CD2 4.34Å; F205-L225 HydrophobicContact CZ-CD1 3.81Å; C209-L225 HydrophobicContact CB-CD2 4.03Å; T221-L225 WeakPolarHBondContact O-CB 2.98Å; T221-L225 PolarHBondContact O-N 3.05Å; E222-L225 PolarHBondContact O-N 2.66Å; L225-Y229 HydrophobicContact CD1-CD2 4.05Å; L225-Y229 HydrophobicContact CD1-CG 4.39Å; L225-Y229 WeakPolarHBondContact O-CB 3.2Å; L225-Y229 PolarHBondContact O-N 3.3Å; L225-L230 HydrophobicContact CD1-CD1 4.47Å; L225-L230 HydrophobicContact CD1-CG 4.18Å; L225-L230 HydrophobicContact CD2-CD1 4.26Å; L225-L230 HydrophobicContact CG-CD1 3.97Å; L225-L230 HydrophobicContact CG-CG 4.12Å; L225-L230 PolarHBondContact O-N 3.08Å; L225-L230 VanDerWaalsContact O-N 3.15Å; L225-M455 HydrophobicContact CD1-SD 4.07Å |
| 226 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -64.4 | -48.5 | 178.7 | -176.2 | -98.2 | 0 | 0 | 0 | 112 | T164 V168 W171 I194 W218 E222 C223 R224 L230 G231 I234 L235 F247 | T164-F226 HydrophobicContact CG2-CD1 4.09Å; V168-F226 HydrophobicContact CG2-CD1 4.43Å; V168-F226 HydrophobicContact CG2-CE1 3.89Å; V168-F226 HydrophobicContact CG2-CZ 4.44Å; W171-F226 HydrophobicContact CH2-CE1 4.3Å; W171-F226 AromaticContact CZ3-CE1 3.96Å; W171-F226 HydrophobicContact CZ3-CE1 3.96Å; W171-F226 AromaticContact CZ3-CZ 4Å; W171-F226 HydrophobicContact CZ3-CZ 4Å; I194-F226 HydrophobicContact CD1-CD2 4.46Å; I194-F226 HydrophobicContact CD1-CE2 4.04Å; I194-F226 HydrophobicContact CG1-CE2 4.42Å; W218-F226 HydrophobicContact CH2-CB 4.33Å; W218-F226 HydrophobicContact CH2-CD1 4.34Å; W218-F226 AromaticContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CE2 4.27Å; W218-F226 AromaticContact CH2-CG 3.93Å; W218-F226 HydrophobicContact CH2-CG 3.93Å; W218-F226 HydrophobicContact CZ3-CB 4.12Å; W218-F226 HydrophobicContact CZ3-CD1 4.19Å; W218-F226 HydrophobicContact CZ3-CD2 4.44Å; W218-F226 AromaticContact CZ3-CG 3.99Å; W218-F226 HydrophobicContact CZ3-CG 3.99Å; E222-F226 VanDerWaalsContact O-CB 3.29Å; E222-F226 WeakPolarHBondContact O-CB 3.29Å; E222-F226 PolarHBondContact O-N 2.93Å; C223-F226 PolarHBondContact O-N 3.25Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 PolarHBondContact O-N 3.31Å; F226-L230 HydrophobicContact CD2-CB 4.46Å; F226-G231 WeakPolarHBondContact O-CA 3.39Å; F226-G231 PolarHBondContact O-N 3.02Å; F226-I234 HydrophobicContact CE2-CD1 4.25Å; F226-L235 HydrophobicContact CE1-CD1 4.21Å; F226-L235 HydrophobicContact CZ-CD1 3.77Å; F226-L235 HydrophobicContact CZ-CD2 4.25Å; F226-L235 HydrophobicContact CZ-CG 4.37Å; F226-F247 HydrophobicContact CD1-CZ 4.38Å; F226-F247 HydrophobicContact CE1-CE2 4.08Å; F226-F247 HydrophobicContact CE1-CZ 4.05Å |
| 227 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -67.1 | -48 | -176.2 | -178.1 | 64.1 | 0 | 0 | 0 | 112.3 | V159 Y160 T164 C223 R224 P232 F247 L250 A251 M254 | V159-L227 HydrophobicContact CG1-CD2 3.62Å; Y160-L227 HydrophobicContact CD1-CD2 4.13Å; Y160-L227 HydrophobicContact CE1-CD2 4.15Å; T164-L227 HydrophobicContact CG2-CB 4.11Å; C223-L227 VanDerWaalsContact O-CB 3.28Å; C223-L227 WeakPolarHBondContact O-CB 3.4Å; C223-L227 PolarHBondContact O-N 3.48Å; R224-L227 PolarHBondContact O-N 2.98Å; L227-P232 WeakPolarHBondContact O-CD 3.29Å; L227-P232 WeakPolarHBondContact O-CG 3.11Å; L227-F247 HydrophobicContact CD1-CE2 3.68Å; L227-F247 HydrophobicContact CD1-CZ 3.97Å; L227-L250 HydrophobicContact CD1-CD2 4.01Å; L227-L250 HydrophobicContact CD1-CG 4.1Å; L227-A251 HydrophobicContact CD1-CB 4Å; L227-A251 VanDerWaalsContact O-CB 3.31Å; L227-A251 WeakPolarHBondContact O-CB 3.16Å; L227-M254 HydrophobicContact CD2-CB 4.04Å; L227-M254 HydrophobicContact CD2-CG 3.89Å |
| 228 | L | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -86.3 | -24 | -169.2 | -59.5 | -175.2 | 0 | 0 | 0 | 113.7 | R224 M254 Y255 L469 | R224-L228 HydrophobicContact CG-CD1 3.7Å; R224-L228 HydrophobicContact CG-CG 4.3Å; R224-L228 WeakPolarHBondContact O-CB 3.41Å; R224-L228 WeakPolarHBondContact O-CG 3.23Å; R224-L228 PolarHBondContact O-N 3.24Å; L228-M254 HydrophobicContact CD2-CB 3.8Å; L228-Y255 HydrophobicContact CB-CD2 4.4Å; L228-L469 HydrophobicContact CD1-CD1 4.1Å |
| 229 | Y | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -126.2 | -59.7 | -171.3 | -55.5 | -81.5 | 0 | 0 | 0 | 112.8 | F205 L225 Y255 I457 V466 P467 L468 L469 | F205-Y229 HydrophobicContact CE1-CD2 4.04Å; F205-Y229 AromaticContact CE1-CE2 3.81Å; F205-Y229 HydrophobicContact CE1-CE2 3.81Å; F205-Y229 AromaticContact CZ-CD2 3.79Å; F205-Y229 HydrophobicContact CZ-CD2 3.79Å; F205-Y229 AromaticContact CZ-CE2 3.61Å; F205-Y229 HydrophobicContact CZ-CE2 3.61Å; F205-Y229 HydrophobicContact CZ-CG 4.36Å; L225-Y229 HydrophobicContact CD1-CD2 4.05Å; L225-Y229 HydrophobicContact CD1-CG 4.39Å; L225-Y229 WeakPolarHBondContact O-CB 3.2Å; L225-Y229 PolarHBondContact O-N 3.3Å; Y229-Y255 HydrophobicContact CE1-CE2 4.22Å; Y229-I457 WeakPolarHBondContact O-CD1 3.41Å; Y229-V466 HydrophobicContact CD1-CB 4.17Å; Y229-V466 HydrophobicContact CD1-CG1 3.61Å; Y229-V466 HydrophobicContact CE1-CG1 3.98Å; Y229-P467 WeakPolarHBondContact CE1-O 3.46Å; Y229-L468 HydrophobicContact CE1-CD2 4.12Å; Y229-L469 PolarHBondContact OH-N 3.08Å |
| 230 | L | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -75.3 | -55.2 | -168.9 | -59.7 | -177.3 | 0 | 0 | 0 | 112.8 | C197 C209 L225 F226 V233 I234 M455 I457 | C197-L230 HydrophobicContact CB-CD1 4.34Å; C197-L230 HydrophobicContact CB-CD2 3.7Å; C209-L230 HydrophobicContact CB-CD1 3.6Å; L225-L230 HydrophobicContact CD1-CD1 4.47Å; L225-L230 HydrophobicContact CD1-CG 4.18Å; L225-L230 HydrophobicContact CD2-CD1 4.26Å; L225-L230 HydrophobicContact CG-CD1 3.97Å; L225-L230 HydrophobicContact CG-CG 4.12Å; L225-L230 PolarHBondContact O-N 3.08Å; L225-L230 VanDerWaalsContact O-N 3.15Å; F226-L230 HydrophobicContact CD2-CB 4.46Å; L230-V233 PolarHBondContact O-N 3.21Å; L230-I234 HydrophobicContact CB-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.32Å; L230-I234 PolarHBondContact O-N 2.8Å; L230-M455 HydrophobicContact CD2-CE 3.27Å; L230-M455 HydrophobicContact CD2-SD 4.12Å; L230-M455 HydrophobicContact CG-CE 4.43Å; L230-I457 HydrophobicContact CD2-CD1 4.05Å; L230-I457 HydrophobicContact CD2-CG1 4.34Å |
| 231 | G | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.5 | -47.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F226 V233 L235 F247 | F226-G231 WeakPolarHBondContact O-CA 3.39Å; F226-G231 PolarHBondContact O-N 3.02Å; G231-V233 PolarHBondContact O-N 2.92Å; G231-V233 VanDerWaalsContact O-N 3.1Å; G231-L235 WeakPolarHBondContact O-CB 3.16Å; G231-L235 WeakPolarHBondContact O-CD1 3.28Å; G231-L235 WeakPolarHBondContact O-CG 3.36Å; G231-L235 PolarHBondContact O-N 3.15Å; G231-L235 VanDerWaalsContact O-N 3.12Å; G231-F247 VanDerWaalsContact C-CE1 3.44Å |
| 232 | P | 96.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -28 | 179.1 | -30.1 | 38.9 | 0 | 0 | 0 | 113.3 | L227 Y244 F247 A251 Y420 | L227-P232 WeakPolarHBondContact O-CD 3.29Å; L227-P232 WeakPolarHBondContact O-CG 3.11Å; P232-Y244 PolarHBondContact O-OH 2.92Å; P232-F247 HydrophobicContact CG-CE1 4.24Å; P232-A251 HydrophobicContact CG-CB 3.54Å; P232-Y420 PolarHBondContact O-OH 3.46Å |
| 233 | V | 96.7 | Very high | 96.9 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -92.8 | -55.2 | -179.4 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | L230 G231 L235 Q236 Y420 I457 C459 V464 | L230-V233 PolarHBondContact O-N 3.21Å; G231-V233 PolarHBondContact O-N 2.92Å; G231-V233 VanDerWaalsContact O-N 3.1Å; V233-L235 VanDerWaalsContact C-N 3.3Å; V233-L235 PolarHBondContact O-N 3.18Å; V233-Q236 WeakPolarHBondContact O-CB 3.42Å; V233-Q236 PolarHBondContact O-N 3.33Å; V233-Y420 WeakPolarHBondContact CA-OH 3.45Å; V233-Y420 HydrophobicContact CG2-CE1 4.13Å; V233-I457 HydrophobicContact CB-CD1 4.02Å; V233-I457 HydrophobicContact CB-CG2 4.14Å; V233-I457 HydrophobicContact CG1-CB 4.14Å; V233-I457 HydrophobicContact CG1-CG2 3.65Å; V233-I457 HydrophobicContact CG2-CD1 3.8Å; V233-C459 VanDerWaalsContact CG1-SG 3.58Å; V233-V464 HydrophobicContact CG1-CB 4.06Å; V233-V464 HydrophobicContact CG1-CG2 3.75Å; V233-V464 HydrophobicContact CG2-CB 3.99Å; V233-V464 HydrophobicContact CG2-CG1 3.76Å; V233-V464 HydrophobicContact CG2-CG2 4.31Å |
| 234 | I | 96.1 | Very high | 96.9 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.6 | -18.9 | -168.9 | 72.3 | 179.5 | 0 | 0 | 0 | 113.8 | L193 I194 C197 F226 L230 I238 I457 | L193-I234 HydrophobicContact CB-CB 4.03Å; L193-I234 HydrophobicContact CB-CD1 4.42Å; L193-I234 HydrophobicContact CB-CG2 4.39Å; L193-I234 HydrophobicContact CD1-CB 4.28Å; L193-I234 VanDerWaalsContact CD1-O 3.22Å; L193-I234 WeakPolarHBondContact CD1-O 3.41Å; I194-I234 HydrophobicContact CG1-CD1 3.52Å; C197-I234 VanDerWaalsContact SG-CG2 3.58Å; F226-I234 HydrophobicContact CE2-CD1 4.25Å; L230-I234 HydrophobicContact CB-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.32Å; L230-I234 PolarHBondContact O-N 2.8Å; I234-I238 WeakPolarHBondContact O-CG1 3.18Å; I234-I457 HydrophobicContact CG2-CG2 4.19Å |
| 235 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -12.7 | 179.7 | -56 | 173 | 0 | 0 | 0 | 112 | W171 I190 F226 G231 V233 N237 I238 L239 Y244 F247 | W171-L235 HydrophobicContact CH2-CD1 3.75Å; W171-L235 HydrophobicContact CZ3-CD1 3.86Å; I190-L235 HydrophobicContact CD1-CD2 3.85Å; I190-L235 HydrophobicContact CG1-CD2 3.85Å; I190-L235 HydrophobicContact CG2-CD2 3.84Å; F226-L235 HydrophobicContact CE1-CD1 4.21Å; F226-L235 HydrophobicContact CZ-CD1 3.77Å; F226-L235 HydrophobicContact CZ-CD2 4.25Å; F226-L235 HydrophobicContact CZ-CG 4.37Å; G231-L235 WeakPolarHBondContact O-CB 3.16Å; G231-L235 WeakPolarHBondContact O-CD1 3.28Å; G231-L235 WeakPolarHBondContact O-CG 3.36Å; G231-L235 PolarHBondContact O-N 3.15Å; G231-L235 VanDerWaalsContact O-N 3.12Å; V233-L235 VanDerWaalsContact C-N 3.3Å; V233-L235 PolarHBondContact O-N 3.18Å; L235-N237 PolarHBondContact O-N 2.99Å; L235-I238 PolarHBondContact O-N 2.93Å; L235-L239 HydrophobicContact CB-CB 4.48Å; L235-L239 HydrophobicContact CB-CD1 3.92Å; L235-L239 HydrophobicContact CB-CG 4.06Å; L235-L239 HydrophobicContact CD1-CD1 3.74Å; L235-L239 HydrophobicContact CD2-CD1 4.18Å; L235-L239 HydrophobicContact CD2-CG 4.13Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 PolarHBondContact O-N 3.39Å; L235-Y244 HydrophobicContact CB-CD2 3.88Å; L235-Y244 HydrophobicContact CB-CE2 4.09Å; L235-F247 HydrophobicContact CD1-CD1 3.75Å; L235-F247 HydrophobicContact CD1-CE1 3.63Å; L235-F247 HydrophobicContact CD1-CE2 4.46Å; L235-F247 HydrophobicContact CD1-CG 4.26Å; L235-F247 HydrophobicContact CD1-CZ 3.99Å |
| 236 | Q | 95 | Very high | 97 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 31% | 0.313 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 128.7 | 179.2 | -166.4 | 177.9 | 28 | 0 | 0 | 110.1 | V233 I238 Y244 Y420 | V233-Q236 WeakPolarHBondContact O-CB 3.42Å; V233-Q236 PolarHBondContact O-N 3.33Å; Q236-I238 PolarHBondContact O-N 2.87Å; Q236-I238 VanDerWaalsContact O-N 3.12Å; Q236-Y244 HydrophobicContact CB-CE1 4.26Å; Q236-Y244 HydrophobicContact CB-CE2 3.99Å; Q236-Y244 WeakPolarHBondContact CB-OH 3.46Å; Q236-Y244 HydrophobicContact CG-CE1 3.93Å; Q236-Y420 PolarHBondContact OE1-OH 3.01Å |
| 237 | N | 93.7 | Very high | 97 | Very high | 150 Ų | 150 | 32.2 Ų | 32.2 | 80% | 0.802 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 9 | -175.1 | -50.7 | -40.2 | 0 | 0 | 0 | 115.1 | L235 | L235-N237 PolarHBondContact O-N 2.99Š|
| 238 | I | 96.5 | Very high | 97 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -50.3 | 176.1 | -56.1 | -54.8 | 0 | 0 | 0 | 110.9 | V186 T189 I190 L193 I234 L235 Q236 | V186-I238 HydrophobicContact CG1-CG2 4.18Å; T189-I238 HydrophobicContact CG2-CD1 3.78Å; T189-I238 HydrophobicContact CG2-CG1 4.37Å; T189-I238 HydrophobicContact CG2-CG2 4.03Å; I190-I238 HydrophobicContact CD1-CG2 4.36Å; I190-I238 HydrophobicContact CG1-CG2 3.63Å; L193-I238 HydrophobicContact CD1-CD1 4.34Å; L193-I238 HydrophobicContact CD1-CG1 3.82Å; I234-I238 WeakPolarHBondContact O-CG1 3.18Å; L235-I238 PolarHBondContact O-N 2.93Å; Q236-I238 PolarHBondContact O-N 2.87Å; Q236-I238 VanDerWaalsContact O-N 3.12Å |
| 239 | L | 96.8 | Very high | 97 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -71.2 | 143.3 | 171.3 | -82.1 | -177.2 | 0 | 0 | 0 | 110.2 | W171 M182 I190 L235 K241 | W171-L239 HydrophobicContact CD2-CD1 4.11Å; W171-L239 HydrophobicContact CD2-CD2 4.13Å; W171-L239 HydrophobicContact CE3-CD1 4.17Å; W171-L239 HydrophobicContact CE3-CD2 4.34Å; W171-L239 HydrophobicContact CG-CD2 4.3Å; W171-L239 HydrophobicContact CH2-CD1 3.75Å; W171-L239 HydrophobicContact CZ2-CD1 3.68Å; W171-L239 HydrophobicContact CZ3-CD1 4Å; M182-L239 HydrophobicContact CE-CD2 3.99Å; M182-L239 HydrophobicContact SD-CD2 3.73Å; I190-L239 HydrophobicContact CD1-CD2 3.96Å; I190-L239 HydrophobicContact CD1-CG 4.4Å; L235-L239 HydrophobicContact CB-CB 4.48Å; L235-L239 HydrophobicContact CB-CD1 3.92Å; L235-L239 HydrophobicContact CB-CG 4.06Å; L235-L239 HydrophobicContact CD1-CD1 3.74Å; L235-L239 HydrophobicContact CD2-CD1 4.18Å; L235-L239 HydrophobicContact CD2-CG 4.13Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 PolarHBondContact O-N 3.39Å; L239-K241 PolarHBondContact O-N 3.36Å |
| 240 | P | 97 | Very high | 97.1 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -49.4 | 134.5 | 168.9 | -27.7 | 34.7 | 0 | 0 | 0 | 111.3 | K180 N181 M182 P242 L243 Y244 | K180-P240 WeakPolarHBondContact O-CB 3.47Å; K180-P240 WeakPolarHBondContact O-CG 3.36Å; N181-P240 HydrophobicContact CB-CB 4.35Å; N181-P240 HydrophobicContact CB-CG 4.07Å; M182-P240 HydrophobicContact CG-CG 4.01Å; M182-P240 WeakPolarHBondContact SD-CD 3.36Å; M182-P240 HydrophobicContact SD-CG 3.69Å; P240-P242 VanDerWaalsContact O-N 3.14Å; P240-L243 HydrophobicContact CB-CD1 4.27Å; P240-L243 HydrophobicContact CB-CG 4.28Å; P240-L243 HydrophobicContact CG-CD1 4.12Å; P240-L243 WeakPolarHBondContact O-CA 3.36Å; P240-L243 WeakPolarHBondContact O-CB 3.43Å; P240-L243 PolarHBondContact O-N 3.18Å; P240-Y244 PolarHBondContact O-N 3.09Å | ||
| 241 | K | 96.9 | Very high | 97.1 | Very high | 162 Ų | 162 | 35.5 Ų | 35.5 | 70% | 0.704 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -47.3 | -47.2 | -168.1 | -177.9 | 178.2 | -179.8 | -178.2 | 0 | 114.4 | L239 L243 Y244 I245 | L239-K241 PolarHBondContact O-N 3.36Å; K241-L243 PolarHBondContact O-N 2.96Å; K241-Y244 PolarHBondContact O-N 3.19Å; K241-I245 HydrophobicContact CD-CD1 4.48Å; K241-I245 HydrophobicContact CG-CD1 3.79Å; K241-I245 HydrophobicContact CG-CG1 4.4Å; K241-I245 WeakPolarHBondContact O-CG1 3.43Å; K241-I245 PolarHBondContact O-N 2.78Å |
| 242 | P | 97.1 | Very high | 97.1 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 34% | 0.338 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 178.6 | -22.4 | 34.5 | 0 | 0 | 0 | 113.5 | P240 Y244 I245 N246 W283 | P240-P242 VanDerWaalsContact O-N 3.14Å; P242-Y244 VanDerWaalsContact C-N 3.34Å; P242-Y244 PolarHBondContact O-N 3.42Å; P242-I245 PolarHBondContact O-N 3.21Å; P242-N246 WeakPolarHBondContact O-CB 3.35Å; P242-N246 PolarHBondContact O-N 2.87Å; P242-W283 HydrophobicContact CB-CE3 4.39Å; P242-W283 HydrophobicContact CB-CH2 4.13Å; P242-W283 HydrophobicContact CB-CZ3 3.47Å; P242-W283 VanDerWaalsContact CB-CZ3 3.47Å; P242-W283 HydrophobicContact CG-CH2 4.05Å; P242-W283 HydrophobicContact CG-CZ3 3.91Å |
| 243 | L | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 178.2 | -53.8 | -173.9 | 0 | 0 | 0 | 110.9 | L174 M182 P240 K241 F247 C284 Y285 | L174-L243 HydrophobicContact CD1-CD1 4.08Å; M182-L243 HydrophobicContact CG-CD1 3.8Å; M182-L243 HydrophobicContact SD-CD1 4.06Å; P240-L243 HydrophobicContact CB-CD1 4.27Å; P240-L243 HydrophobicContact CB-CG 4.28Å; P240-L243 HydrophobicContact CG-CD1 4.12Å; P240-L243 WeakPolarHBondContact O-CA 3.36Å; P240-L243 WeakPolarHBondContact O-CB 3.43Å; P240-L243 PolarHBondContact O-N 3.18Å; K241-L243 PolarHBondContact O-N 2.96Å; L243-F247 WeakPolarHBondContact O-CB 3.49Å; L243-F247 PolarHBondContact O-N 3.47Å; L243-C284 HydrophobicContact CD2-CB 3.77Å; L243-Y285 HydrophobicContact CD2-CE1 3.75Å |
| 244 | Y | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 9% | 0.09 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.4 | 179.4 | -108.2 | 0 | 0 | 0 | 112.4 | P232 L235 Q236 P240 K241 P242 N246 F247 K248 | P232-Y244 PolarHBondContact O-OH 2.92Å; L235-Y244 HydrophobicContact CB-CD2 3.88Å; L235-Y244 HydrophobicContact CB-CE2 4.09Å; Q236-Y244 HydrophobicContact CB-CE1 4.26Å; Q236-Y244 HydrophobicContact CB-CE2 3.99Å; Q236-Y244 WeakPolarHBondContact CB-OH 3.46Å; Q236-Y244 HydrophobicContact CG-CE1 3.93Å; P240-Y244 PolarHBondContact O-N 3.09Å; K241-Y244 PolarHBondContact O-N 3.19Å; P242-Y244 VanDerWaalsContact C-N 3.34Å; P242-Y244 PolarHBondContact O-N 3.42Å; Y244-N246 VanDerWaalsContact C-N 3.35Å; Y244-N246 PolarHBondContact O-N 3.03Å; Y244-F247 PolarHBondContact O-N 2.94Å; Y244-K248 HydrophobicContact CE1-CB 4.5Å; Y244-K248 HydrophobicContact CE1-CD 4.31Å; Y244-K248 VanDerWaalsContact O-CB 3.24Å; Y244-K248 WeakPolarHBondContact O-CB 3.45Å; Y244-K248 PolarHBondContact O-N 2.93Å |
| 245 | I | 97.2 | Very high | 97.4 | Very high | 91 Ų | 91 | 34.6 Ų | 34.6 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 177.5 | -70.7 | 169 | 0 | 0 | 0 | 110.3 | K241 P242 F247 K248 C249 | K241-I245 HydrophobicContact CD-CD1 4.48Å; K241-I245 HydrophobicContact CG-CD1 3.79Å; K241-I245 HydrophobicContact CG-CG1 4.4Å; K241-I245 WeakPolarHBondContact O-CG1 3.43Å; K241-I245 PolarHBondContact O-N 2.78Å; P242-I245 PolarHBondContact O-N 3.21Å; I245-F247 PolarHBondContact O-N 2.92Å; I245-K248 PolarHBondContact O-N 3.4Å; I245-C249 WeakPolarHBondContact O-CB 3.43Å; I245-C249 PolarHBondContact O-N 3.37Å |
| 246 | N | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.5 | -177.7 | -102.2 | 0 | 0 | 0 | 111.5 | P242 Y244 C249 L250 F277 E280 Y281 Y285 | P242-N246 WeakPolarHBondContact O-CB 3.35Å; P242-N246 PolarHBondContact O-N 2.87Å; Y244-N246 VanDerWaalsContact C-N 3.35Å; Y244-N246 PolarHBondContact O-N 3.03Å; N246-C249 WeakPolarHBondContact O-CB 3.34Å; N246-C249 PolarHBondContact O-N 3.5Å; N246-L250 PolarHBondContact O-N 3.01Å; N246-F277 VanDerWaalsContact ND2-CD2 3.26Å; N246-F277 WeakPolarHBondContact ND2-CD2 3.19Å; N246-F277 WeakPolarHBondContact ND2-CE2 3.38Å; N246-F277 PolarHBondContact ND2-O 3.32Å; N246-F277 WeakPolarHBondContact O-CD2 3.49Å; N246-F277 WeakPolarHBondContact O-CE2 3.21Å; N246-F277 WeakPolarHBondContact OD1-CE2 3.21Å; N246-E280 WeakPolarHBondContact ND2-CB 3.43Å; N246-Y281 PolarHBondContact ND2-N 3.16Å; N246-Y285 WeakPolarHBondContact OD1-CE2 3.4Å |
| 247 | F | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.4 | 175.9 | -95.4 | 0 | 0 | 0 | 113.1 | L167 W171 F226 L227 G231 P232 L235 L243 Y244 I245 C249 L250 A251 | L167-F247 HydrophobicContact CD1-CD2 4.22Å; W171-F247 HydrophobicContact CH2-CB 4.3Å; W171-F247 AromaticContact CH2-CD2 3.4Å; W171-F247 HydrophobicContact CH2-CD2 3.4Å; W171-F247 VanDerWaalsContact CH2-CD2 3.4Å; W171-F247 AromaticContact CH2-CE2 3.82Å; W171-F247 HydrophobicContact CH2-CE2 3.82Å; W171-F247 AromaticContact CH2-CG 3.83Å; W171-F247 HydrophobicContact CH2-CG 3.83Å; W171-F247 HydrophobicContact CZ2-CB 3.95Å; W171-F247 AromaticContact CZ2-CD2 3.7Å; W171-F247 HydrophobicContact CZ2-CD2 3.7Å; W171-F247 AromaticContact CZ2-CG 3.97Å; W171-F247 HydrophobicContact CZ2-CG 3.97Å; F226-F247 HydrophobicContact CD1-CZ 4.38Å; F226-F247 HydrophobicContact CE1-CE2 4.08Å; F226-F247 HydrophobicContact CE1-CZ 4.05Å; L227-F247 HydrophobicContact CD1-CE2 3.68Å; L227-F247 HydrophobicContact CD1-CZ 3.97Å; G231-F247 VanDerWaalsContact C-CE1 3.44Å; P232-F247 HydrophobicContact CG-CE1 4.24Å; L235-F247 HydrophobicContact CD1-CD1 3.75Å; L235-F247 HydrophobicContact CD1-CE1 3.63Å; L235-F247 HydrophobicContact CD1-CE2 4.46Å; L235-F247 HydrophobicContact CD1-CG 4.26Å; L235-F247 HydrophobicContact CD1-CZ 3.99Å; L243-F247 WeakPolarHBondContact O-CB 3.49Å; L243-F247 PolarHBondContact O-N 3.47Å; Y244-F247 PolarHBondContact O-N 2.94Å; I245-F247 PolarHBondContact O-N 2.92Å; F247-C249 VanDerWaalsContact C-N 3.28Å; F247-C249 PolarHBondContact O-N 3.46Å; F247-L250 PolarHBondContact O-N 3.03Å; F247-A251 HydrophobicContact CE1-CB 4.1Å; F247-A251 HydrophobicContact CZ-CB 4.3Å; F247-A251 WeakPolarHBondContact O-CB 3.47Å; F247-A251 PolarHBondContact O-N 3.42Å |
| 248 | K | 97.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 19% | 0.187 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 178.8 | -176.1 | -168.5 | 170.8 | -156.1 | 0 | 110.5 | Y244 I245 A251 L252 D423 | Y244-K248 HydrophobicContact CE1-CB 4.5Å; Y244-K248 HydrophobicContact CE1-CD 4.31Å; Y244-K248 VanDerWaalsContact O-CB 3.24Å; Y244-K248 WeakPolarHBondContact O-CB 3.45Å; Y244-K248 PolarHBondContact O-N 2.93Å; I245-K248 PolarHBondContact O-N 3.4Å; K248-A251 PolarHBondContact O-N 3.45Å; K248-L252 WeakPolarHBondContact O-CB 3.26Å; K248-L252 PolarHBondContact O-N 3.25Å; K248-D423 PolarHBondContact NZ-O 2.76Å |
| 249 | C | 97.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 22.4 Ų | 22.4 | 22% | 0.216 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.2 | -53.9 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | I245 N246 F247 A251 L252 S253 D273 | I245-C249 WeakPolarHBondContact O-CB 3.43Å; I245-C249 PolarHBondContact O-N 3.37Å; N246-C249 WeakPolarHBondContact O-CB 3.34Å; N246-C249 PolarHBondContact O-N 3.5Å; F247-C249 VanDerWaalsContact C-N 3.28Å; F247-C249 PolarHBondContact O-N 3.46Å; C249-A251 PolarHBondContact O-N 2.85Å; C249-L252 PolarHBondContact O-N 2.87Å; C249-S253 WeakPolarHBondContact O-CB 3.41Å; C249-S253 PolarHBondContact O-N 3.49Å; C249-S253 PolarHBondContact O-OG 3.31Å; C249-D273 PolarHBondContact SG-O 3.4Å; C249-D273 VanDerWaalsContact SG-O 3.36Å |
| 250 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 176.1 | 177.2 | 66.8 | 0 | 0 | 0 | 112.4 | V163 L167 L227 N246 F247 L252 S253 M254 L274 F277 L297 | V163-L250 HydrophobicContact CG1-CD2 3.57Å; L167-L250 HydrophobicContact CD1-CD2 3.5Å; L227-L250 HydrophobicContact CD1-CD2 4.01Å; L227-L250 HydrophobicContact CD1-CG 4.1Å; N246-L250 PolarHBondContact O-N 3.01Å; F247-L250 PolarHBondContact O-N 3.03Å; L250-L252 PolarHBondContact O-N 3.49Å; L250-S253 PolarHBondContact O-N 2.9Å; L250-M254 HydrophobicContact CD1-CE 4.23Å; L250-M254 HydrophobicContact CD1-CG 3.87Å; L250-M254 HydrophobicContact CD1-SD 4.48Å; L250-M254 HydrophobicContact CG-CG 4.3Å; L250-M254 WeakPolarHBondContact O-CB 3.24Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.48Å; L250-M254 PolarHBondContact O-N 3.3Å; L250-L274 HydrophobicContact CD1-CD2 4.42Å; L250-F277 HydrophobicContact CB-CD2 3.8Å; L250-F277 HydrophobicContact CB-CE2 3.52Å; L250-F277 HydrophobicContact CB-CZ 4.05Å; L250-F277 HydrophobicContact CD1-CZ 4.4Å; L250-F277 HydrophobicContact CD2-CE2 4.25Å; L250-F277 HydrophobicContact CD2-CZ 4.03Å; L250-F277 HydrophobicContact CG-CE2 4.34Å; L250-F277 HydrophobicContact CG-CZ 4.39Å; L250-L297 HydrophobicContact CD1-CD1 3.82Å; L250-L297 HydrophobicContact CD1-CD2 4Å |
| 251 | A | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L227 P232 F247 K248 C249 M254 Y255 | L227-A251 HydrophobicContact CD1-CB 4Å; L227-A251 VanDerWaalsContact O-CB 3.31Å; L227-A251 WeakPolarHBondContact O-CB 3.16Å; P232-A251 HydrophobicContact CG-CB 3.54Å; F247-A251 HydrophobicContact CE1-CB 4.1Å; F247-A251 HydrophobicContact CZ-CB 4.3Å; F247-A251 WeakPolarHBondContact O-CB 3.47Å; F247-A251 PolarHBondContact O-N 3.42Å; K248-A251 PolarHBondContact O-N 3.45Å; C249-A251 PolarHBondContact O-N 2.85Å; A251-M254 PolarHBondContact O-N 2.89Å; A251-Y255 VanDerWaalsContact O-CB 3.31Å; A251-Y255 WeakPolarHBondContact O-CB 3.27Å; A251-Y255 PolarHBondContact O-N 2.98Å |
| 252 | L | 97.7 | Very high | 97.1 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 177.1 | -176.2 | 61.2 | 0 | 0 | 0 | 111.4 | K248 C249 L250 M254 Y255 L256 F421 P424 F425 I430 | K248-L252 WeakPolarHBondContact O-CB 3.26Å; K248-L252 PolarHBondContact O-N 3.25Å; C249-L252 PolarHBondContact O-N 2.87Å; L250-L252 PolarHBondContact O-N 3.49Å; L252-M254 VanDerWaalsContact C-N 3.34Å; L252-M254 PolarHBondContact O-N 3.4Å; L252-Y255 PolarHBondContact O-N 3.36Å; L252-L256 HydrophobicContact CD1-CD1 4.31Å; L252-L256 HydrophobicContact CD1-CG 4.26Å; L252-L256 HydrophobicContact CG-CD1 4.05Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CB 3.37Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 3.35Å; L252-F421 HydrophobicContact CD1-CE2 4.45Å; L252-F421 HydrophobicContact CD1-CZ 3.86Å; L252-F421 HydrophobicContact CD2-CE2 4.36Å; L252-F421 HydrophobicContact CD2-CZ 4.46Å; L252-P424 HydrophobicContact CD2-CG 3.75Å; L252-F425 HydrophobicContact CD1-CZ 4.16Å; L252-F425 HydrophobicContact CD2-CE1 4.35Å; L252-F425 HydrophobicContact CD2-CZ 4.38Å; L252-I430 HydrophobicContact CD1-CD1 3.97Å |
| 253 | S | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | C249 L250 L256 L257 | C249-S253 WeakPolarHBondContact O-CB 3.41Å; C249-S253 PolarHBondContact O-N 3.49Å; C249-S253 PolarHBondContact O-OG 3.31Å; L250-S253 PolarHBondContact O-N 2.9Å; S253-L256 PolarHBondContact O-N 2.77Å; S253-L257 WeakPolarHBondContact O-CB 3.32Å; S253-L257 VanDerWaalsContact O-CG 3.31Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.5Å |
| 254 | M | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.2 | -36.1 | 179.4 | -64.4 | -58.2 | 105.2 | 0 | 0 | 112.4 | V159 L227 L228 L250 A251 L252 L257 A258 L274 L297 L300 L310 | V159-M254 HydrophobicContact CB-SD 4.4Å; V159-M254 HydrophobicContact CG1-CG 3.74Å; V159-M254 HydrophobicContact CG1-SD 3.65Å; V159-M254 HydrophobicContact CG2-SD 3.83Å; L227-M254 HydrophobicContact CD2-CB 4.04Å; L227-M254 HydrophobicContact CD2-CG 3.89Å; L228-M254 HydrophobicContact CD2-CB 3.8Å; L250-M254 HydrophobicContact CD1-CE 4.23Å; L250-M254 HydrophobicContact CD1-CG 3.87Å; L250-M254 HydrophobicContact CD1-SD 4.48Å; L250-M254 HydrophobicContact CG-CG 4.3Å; L250-M254 WeakPolarHBondContact O-CB 3.24Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.48Å; L250-M254 PolarHBondContact O-N 3.3Å; A251-M254 PolarHBondContact O-N 2.89Å; L252-M254 VanDerWaalsContact C-N 3.34Å; L252-M254 PolarHBondContact O-N 3.4Å; M254-L257 HydrophobicContact CE-CD1 3.83Å; M254-A258 VanDerWaalsContact O-CB 3.23Å; M254-A258 WeakPolarHBondContact O-CB 3.48Å; M254-A258 PolarHBondContact O-N 3.49Å; M254-L274 HydrophobicContact CE-CD1 3.97Å; M254-L274 HydrophobicContact CE-CD2 3.72Å; M254-L274 HydrophobicContact CE-CG 4.47Å; M254-L297 HydrophobicContact CE-CD2 4.33Å; M254-L297 HydrophobicContact SD-CD2 4.44Å; M254-L300 HydrophobicContact CE-CD1 3.85Å; M254-L300 HydrophobicContact SD-CD1 3.81Å; M254-L310 HydrophobicContact CB-CD1 4.28Å; M254-L310 WeakPolarHBondContact O-CD1 3.48Å; M254-L310 HydrophobicContact SD-CD1 3.87Å |
| 255 | Y | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.7 | -173.3 | -85.2 | 0 | 0 | 0 | 111.3 | L228 Y229 A251 L252 A258 H259 I430 I432 V466 P467 L469 | L228-Y255 HydrophobicContact CB-CD2 4.4Å; Y229-Y255 HydrophobicContact CE1-CE2 4.22Å; A251-Y255 VanDerWaalsContact O-CB 3.31Å; A251-Y255 WeakPolarHBondContact O-CB 3.27Å; A251-Y255 PolarHBondContact O-N 2.98Å; L252-Y255 PolarHBondContact O-N 3.36Å; Y255-A258 PolarHBondContact O-N 2.75Å; Y255-H259 WeakPolarHBondContact O-CB 3.36Å; Y255-H259 PolarHBondContact O-N 3.49Å; Y255-I430 HydrophobicContact CD1-CD1 4.05Å; Y255-I430 HydrophobicContact CE1-CD1 3.93Å; Y255-I432 HydrophobicContact CE1-CD1 4.24Å; Y255-V466 HydrophobicContact CE2-CG1 3.78Å; Y255-P467 WeakPolarHBondContact OH-CD 2.94Å; Y255-P467 PolarHBondContact OH-O 3.28Å; Y255-L469 HydrophobicContact CD1-CD2 4.36Å; Y255-L469 HydrophobicContact CD2-CD1 4.03Å; Y255-L469 HydrophobicContact CD2-CD2 4.43Å; Y255-L469 HydrophobicContact CD2-CG 4.41Å; Y255-L469 HydrophobicContact CE1-CD2 3.89Å; Y255-L469 HydrophobicContact CE2-CD1 4.11Å; Y255-L469 HydrophobicContact CE2-CD2 3.96Å; Y255-L469 HydrophobicContact CE2-CG 4Å; Y255-L469 HydrophobicContact CG-CD1 4.49Å |
| 256 | L | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 178.1 | -76.6 | 175.3 | 0 | 0 | 0 | 112.7 | L252 S253 A258 H259 Y263 V266 V270 F425 I430 | L252-L256 HydrophobicContact CD1-CD1 4.31Å; L252-L256 HydrophobicContact CD1-CG 4.26Å; L252-L256 HydrophobicContact CG-CD1 4.05Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CB 3.37Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 3.35Å; S253-L256 PolarHBondContact O-N 2.77Å; L256-A258 VanDerWaalsContact C-N 3.25Å; L256-A258 PolarHBondContact O-N 3.14Å; L256-H259 WeakPolarHBondContact O-CB 3.37Å; L256-H259 PolarHBondContact O-N 2.99Å; L256-H259 VanDerWaalsContact O-N 3.1Å; L256-Y263 WeakPolarHBondContact O-CA 3.35Å; L256-V266 HydrophobicContact CB-CG2 3.79Å; L256-V266 HydrophobicContact CD1-CG2 4.41Å; L256-V266 HydrophobicContact CD2-CG1 4.37Å; L256-V266 HydrophobicContact CD2-CG2 4.28Å; L256-V266 HydrophobicContact CG-CG2 4.4Å; L256-V270 HydrophobicContact CB-CG2 4.01Å; L256-V270 HydrophobicContact CD1-CG2 3.86Å; L256-F425 HydrophobicContact CD1-CE1 3.93Å; L256-F425 HydrophobicContact CD1-CZ 3.95Å; L256-F425 HydrophobicContact CD2-CZ 3.96Å; L256-F425 HydrophobicContact CG-CZ 4.39Å; L256-I430 HydrophobicContact CD2-CG2 3.94Å |
| 257 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -24.8 | 176.5 | -67.9 | 178.7 | 0 | 0 | 0 | 113 | S253 M254 V270 L274 L300 V304 P309 L310 | S253-L257 WeakPolarHBondContact O-CB 3.32Å; S253-L257 VanDerWaalsContact O-CG 3.31Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.5Å; M254-L257 HydrophobicContact CE-CD1 3.83Å; L257-V270 HydrophobicContact CD1-CG1 3.77Å; L257-V270 HydrophobicContact CD2-CB 4.23Å; L257-V270 HydrophobicContact CD2-CG1 3.98Å; L257-V270 HydrophobicContact CG-CB 4.47Å; L257-V270 HydrophobicContact CG-CG1 3.77Å; L257-L274 HydrophobicContact CD1-CD1 4.24Å; L257-L300 HydrophobicContact CD1-CB 4.2Å; L257-V304 HydrophobicContact CB-CG2 4.08Å; L257-V304 HydrophobicContact CD1-CG2 4.41Å; L257-V304 HydrophobicContact CD2-CB 4.18Å; L257-V304 HydrophobicContact CD2-CG1 3.9Å; L257-V304 HydrophobicContact CD2-CG2 4.13Å; L257-V304 HydrophobicContact CG-CG2 4.42Å; L257-P309 VanDerWaalsContact O-CA 3.26Å; L257-P309 WeakPolarHBondContact O-CA 3.44Å; L257-L310 HydrophobicContact CB-CD1 3.95Å; L257-L310 HydrophobicContact CB-CD2 4.14Å; L257-L310 HydrophobicContact CB-CG 3.78Å; L257-L310 PolarHBondContact O-N 2.84Å; L257-L310 VanDerWaalsContact O-N 3.1Å |
| 258 | A | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M254 Y255 L256 L310 L469 | M254-A258 VanDerWaalsContact O-CB 3.23Å; M254-A258 WeakPolarHBondContact O-CB 3.48Å; M254-A258 PolarHBondContact O-N 3.49Å; Y255-A258 PolarHBondContact O-N 2.75Å; L256-A258 VanDerWaalsContact C-N 3.25Å; L256-A258 PolarHBondContact O-N 3.14Å; A258-L310 HydrophobicContact CB-CB 4.15Å; A258-L310 HydrophobicContact CB-CD1 4.19Å; A258-L310 HydrophobicContact CB-CG 4.38Å; A258-L469 HydrophobicContact CB-CD1 3.69Å |
| 259 | H | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -78.5 | 122.1 | -173.2 | -167.1 | -71.3 | 0 | 0 | 0 | 111.8 | Y255 L256 K261 F262 Y263 L469 | Y255-H259 WeakPolarHBondContact O-CB 3.36Å; Y255-H259 PolarHBondContact O-N 3.49Å; L256-H259 WeakPolarHBondContact O-CB 3.37Å; L256-H259 PolarHBondContact O-N 2.99Å; L256-H259 VanDerWaalsContact O-N 3.1Å; H259-K261 VanDerWaalsContact C-N 3.26Å; H259-K261 PolarHBondContact ND1-N 3.39Å; H259-K261 VanDerWaalsContact ND1-N 3.18Å; H259-K261 PolarHBondContact O-N 2.85Å; H259-K261 VanDerWaalsContact O-N 3.1Å; H259-F262 HydrophobicContact CB-CB 4.12Å; H259-F262 HydrophobicContact CB-CD2 4.44Å; H259-F262 AromaticContact CD2-CD2 3.72Å; H259-F262 AromaticContact CE1-CD2 3.19Å; H259-F262 WeakPolarHBondContact CE1-CD2 3.49Å; H259-F262 AromaticContact CE1-CE2 3.49Å; H259-F262 VanDerWaalsContact CE1-CE2 3.49Å; H259-F262 WeakPolarHBondContact CE1-CE2 3.23Å; H259-F262 AromaticContact CG-CD2 3.55Å; H259-F262 AromaticContact ND1-CD2 3.21Å; H259-F262 WeakPolarHBondContact ND1-CD2 3.31Å; H259-F262 AromaticContact ND1-CE2 3.99Å; H259-F262 AromaticContact ND1-CG 3.82Å; H259-F262 PolarHBondContact ND1-N 3.13Å; H259-F262 AromaticContact NE2-CD2 3.51Å; H259-F262 AromaticContact NE2-CE2 3.7Å; H259-F262 PolarHBondContact O-N 3.04Å; H259-Y263 WeakPolarHBondContact O-CB 3.38Å; H259-Y263 WeakPolarHBondContact O-CD1 3.48Å; H259-Y263 PolarHBondContact O-N 3.47Å; H259-Y263 VanDerWaalsContact O-N 3.15Å; H259-L469 HydrophobicContact CB-CD2 3.97Å; H259-L469 VanDerWaalsContact CD2-CD2 3.48Å; H259-L469 WeakPolarHBondContact CD2-CD2 3.44Å | ||
| 260 | P | 93 | Very high | 95.5 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 31% | 0.312 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.8 | -170.8 | 23 | -34 | 0 | 0 | 0 | 114.4 | Y263 V472 | P260-Y263 WeakPolarHBondContact O-CD1 3.41Å; P260-Y263 WeakPolarHBondContact O-CE1 3.38Å; P260-V472 HydrophobicContact CG-CB 3.81Å; P260-V472 HydrophobicContact CG-CG1 3.99Å |
| 261 | K | 92.5 | Very high | 95.4 | Very high | 105 Ų | 105 | 38.3 Ų | 38.3 | 46% | 0.457 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -25.3 | 177.3 | -73.5 | -179.7 | 158.1 | 143.3 | 0 | 116.6 | H259 N264 M473 | H259-K261 VanDerWaalsContact C-N 3.26Å; H259-K261 PolarHBondContact ND1-N 3.39Å; H259-K261 VanDerWaalsContact ND1-N 3.18Å; H259-K261 PolarHBondContact O-N 2.85Å; H259-K261 VanDerWaalsContact O-N 3.1Å; K261-N264 PolarHBondContact O-OD1 3.37Å; K261-M473 WeakPolarHBondContact CD-O 3.35Å; K261-M473 WeakPolarHBondContact CE-O 3.49Å; K261-M473 VanDerWaalsContact CE-OXT 3.24Å; K261-M473 WeakPolarHBondContact CE-OXT 3.29Å; K261-M473 VanDerWaalsContact CG-O 3.3Å; K261-M473 WeakPolarHBondContact CG-O 3.28Å; K261-M473 PolarHBondContact NZ-O 2.92Å |
| 262 | F | 92.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 21% | 0.211 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -21.5 | -166 | -69.3 | -58.2 | 0 | 0 | 0 | 113 | H259 N264 R265 V266 D429 I430 | H259-F262 HydrophobicContact CB-CB 4.12Å; H259-F262 HydrophobicContact CB-CD2 4.44Å; H259-F262 AromaticContact CD2-CD2 3.72Å; H259-F262 AromaticContact CE1-CD2 3.19Å; H259-F262 WeakPolarHBondContact CE1-CD2 3.49Å; H259-F262 AromaticContact CE1-CE2 3.49Å; H259-F262 VanDerWaalsContact CE1-CE2 3.49Å; H259-F262 WeakPolarHBondContact CE1-CE2 3.23Å; H259-F262 AromaticContact CG-CD2 3.55Å; H259-F262 AromaticContact ND1-CD2 3.21Å; H259-F262 WeakPolarHBondContact ND1-CD2 3.31Å; H259-F262 AromaticContact ND1-CE2 3.99Å; H259-F262 AromaticContact ND1-CG 3.82Å; H259-F262 PolarHBondContact ND1-N 3.13Å; H259-F262 AromaticContact NE2-CD2 3.51Å; H259-F262 AromaticContact NE2-CE2 3.7Å; H259-F262 PolarHBondContact O-N 3.04Å; F262-N264 PolarHBondContact O-N 2.9Å; F262-N264 VanDerWaalsContact O-N 3.08Å; F262-R265 PolarHBondContact O-N 3.37Å; F262-V266 HydrophobicContact CB-CG1 4.34Å; F262-V266 WeakPolarHBondContact O-CG2 3.32Å; F262-V266 PolarHBondContact O-N 3.38Å; F262-V266 VanDerWaalsContact O-N 3.12Å; F262-D429 VanDerWaalsContact CZ-O 3.22Å; F262-D429 WeakPolarHBondContact CZ-O 3.31Å; F262-I430 HydrophobicContact CD2-CB 4.5Å; F262-I430 HydrophobicContact CD2-CG2 3.9Å; F262-I430 HydrophobicContact CE2-CB 4.28Å; F262-I430 HydrophobicContact CE2-CG2 3.9Å |
| 263 | Y | 93.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -47.5 | -46.4 | -172.6 | 75.2 | -88.6 | 0 | 0 | 0 | 112.6 | L256 H259 P260 T267 V304 P309 | L256-Y263 WeakPolarHBondContact O-CA 3.35Å; H259-Y263 WeakPolarHBondContact O-CB 3.38Å; H259-Y263 WeakPolarHBondContact O-CD1 3.48Å; H259-Y263 PolarHBondContact O-N 3.47Å; H259-Y263 VanDerWaalsContact O-N 3.15Å; P260-Y263 WeakPolarHBondContact O-CD1 3.41Å; P260-Y263 WeakPolarHBondContact O-CE1 3.38Å; Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.63Å; Y263-V304 HydrophobicContact CD2-CG1 3.5Å; Y263-V304 VanDerWaalsContact CD2-CG1 3.5Å; Y263-V304 HydrophobicContact CE2-CG1 4.49Å; Y263-V304 HydrophobicContact CG-CG1 4.1Å; Y263-P309 HydrophobicContact CD1-CB 4.19Å; Y263-P309 HydrophobicContact CD1-CG 4.41Å; Y263-P309 HydrophobicContact CG-CB 4.31Å |
| 264 | N | 91.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.7 | -28.8 | -177.9 | 62.1 | -12.6 | 0 | 0 | 0 | 114.3 | K261 F262 | K261-N264 PolarHBondContact O-OD1 3.37Å; F262-N264 PolarHBondContact O-N 2.9Å; F262-N264 VanDerWaalsContact O-N 3.08Å |
| 265 | R | 92.8 | Very high | 95.1 | Very high | 198 Ų | 198 | 46.1 Ų | 46.1 | 75% | 0.747 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -82.4 | -29 | -178.7 | -65.9 | 176.6 | -173.2 | -177.4 | 0.8 | 112.7 | F262 | F262-R265 PolarHBondContact O-N 3.37Å |
| 266 | V | 92.1 | Very high | 95 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -103.8 | -3.1 | -172.8 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | L256 F262 E268 S269 V270 | L256-V266 HydrophobicContact CB-CG2 3.79Å; L256-V266 HydrophobicContact CD1-CG2 4.41Å; L256-V266 HydrophobicContact CD2-CG1 4.37Å; L256-V266 HydrophobicContact CD2-CG2 4.28Å; L256-V266 HydrophobicContact CG-CG2 4.4Å; F262-V266 HydrophobicContact CB-CG1 4.34Å; F262-V266 WeakPolarHBondContact O-CG2 3.32Å; F262-V266 PolarHBondContact O-N 3.38Å; F262-V266 VanDerWaalsContact O-N 3.12Å; V266-E268 VanDerWaalsContact C-N 3.34Å; V266-E268 PolarHBondContact O-N 2.87Å; V266-S269 PolarHBondContact O-N 2.98Å; V266-S269 VanDerWaalsContact O-N 3.16Å; V266-V270 HydrophobicContact CB-CG2 4.31Å; V266-V270 HydrophobicContact CG2-CG2 4.02Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 2.91Å |
| 267 | T | 92.6 | Very high | 95 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50.3 | -50.6 | -172.7 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | Y263 V270 R271 P301 L305 | Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.63Å; T267-V270 PolarHBondContact O-N 2.85Å; T267-R271 PolarHBondContact O-N 2.99Å; T267-P301 HydrophobicContact CG2-CB 3.55Å; T267-L305 HydrophobicContact CG2-CD1 3.79Å; T267-L305 HydrophobicContact CG2-CD2 3.92Å; T267-L305 HydrophobicContact CG2-CG 3.62Å |
| 268 | E | 94 | Very high | 95 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.8 | -35.3 | -176.2 | -68 | -51.8 | 125 | 0 | 0 | 113.1 | V266 R271 M272 | V266-E268 VanDerWaalsContact C-N 3.34Å; V266-E268 PolarHBondContact O-N 2.87Å; E268-R271 WeakPolarHBondContact O-CB 3.34Å; E268-R271 PolarHBondContact O-N 3.49Å; E268-R271 IonicContact OE1-CZ 3.53Å; E268-R271 IonicContact OE1-NE 3.65Å; E268-R271 PolarHBondContact OE1-NE 2.91Å; E268-R271 IonicContact OE1-NH2 2.91Å; E268-R271 PolarHBondContact OE1-NH2 2.9Å; E268-R271 IonicContact OE2-NE 3.68Å; E268-R271 PolarHBondContact OE2-NE 3.26Å; E268-M272 PolarHBondContact O-N 2.8Å |
| 269 | S | 95 | Very high | 95 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 51% | 0.51 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | V266 R271 M272 D273 | V266-S269 PolarHBondContact O-N 2.98Å; V266-S269 VanDerWaalsContact O-N 3.16Å; S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact O-N 3.42Å; S269-M272 WeakPolarHBondContact O-CB 3.27Å; S269-M272 PolarHBondContact O-N 3.28Å; S269-M272 VanDerWaalsContact O-N 3.09Å; S269-D273 PolarHBondContact O-N 3.18Å |
| 270 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L256 L257 V266 T267 M272 D273 L274 | L256-V270 HydrophobicContact CB-CG2 4.01Å; L256-V270 HydrophobicContact CD1-CG2 3.86Å; L257-V270 HydrophobicContact CD1-CG1 3.77Å; L257-V270 HydrophobicContact CD2-CB 4.23Å; L257-V270 HydrophobicContact CD2-CG1 3.98Å; L257-V270 HydrophobicContact CG-CB 4.47Å; L257-V270 HydrophobicContact CG-CG1 3.77Å; V266-V270 HydrophobicContact CB-CG2 4.31Å; V266-V270 HydrophobicContact CG2-CG2 4.02Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 2.91Å; T267-V270 PolarHBondContact O-N 2.85Å; V270-M272 VanDerWaalsContact C-N 3.28Å; V270-M272 PolarHBondContact O-N 3.26Å; V270-D273 PolarHBondContact O-N 3.3Å; V270-L274 HydrophobicContact CG1-CD1 3.73Å; V270-L274 HydrophobicContact CG1-CG 3.99Å; V270-L274 WeakPolarHBondContact O-CB 3.47Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.37Å; V270-L274 PolarHBondContact O-N 2.85Å |
| 271 | R | 96.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 172.8 | -171.3 | -171.9 | -58.1 | -81.8 | 1.9 | 111.4 | T267 E268 S269 R275 P301 D302 | T267-R271 PolarHBondContact O-N 2.99Å; E268-R271 WeakPolarHBondContact O-CB 3.34Å; E268-R271 PolarHBondContact O-N 3.49Å; E268-R271 IonicContact OE1-CZ 3.53Å; E268-R271 IonicContact OE1-NE 3.65Å; E268-R271 PolarHBondContact OE1-NE 2.91Å; E268-R271 IonicContact OE1-NH2 2.91Å; E268-R271 PolarHBondContact OE1-NH2 2.9Å; E268-R271 IonicContact OE2-NE 3.68Å; E268-R271 PolarHBondContact OE2-NE 3.26Å; S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact O-N 3.42Å; R271-R275 WeakPolarHBondContact O-CG 3.34Å; R271-R275 PolarHBondContact O-N 2.98Å; R271-R275 VanDerWaalsContact O-N 3.13Å; R271-P301 HydrophobicContact CB-CB 4.22Å; R271-P301 HydrophobicContact CB-CG 3.95Å; R271-P301 HydrophobicContact CG-CG 4.32Å; R271-D302 IonicContact CZ-OD1 3.46Å; R271-D302 VanDerWaalsContact CZ-OD1 3.22Å; R271-D302 IonicContact CZ-OD2 3.77Å; R271-D302 IonicContact NH1-OD1 2.63Å; R271-D302 PolarHBondContact NH1-OD1 2.85Å; R271-D302 IonicContact NH1-OD2 3.59Å; R271-D302 PolarHBondContact NH1-OD2 3.12Å; R271-D302 IonicContact NH2-OD1 2.89Å; R271-D302 PolarHBondContact NH2-OD1 2.84Å |
| 272 | M | 95.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 56 Ų | 56 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 176.5 | -65.3 | -52.6 | 108.6 | 0 | 0 | 111.5 | E268 S269 V270 L274 R275 N276 | E268-M272 PolarHBondContact O-N 2.8Å; S269-M272 WeakPolarHBondContact O-CB 3.27Å; S269-M272 PolarHBondContact O-N 3.28Å; S269-M272 VanDerWaalsContact O-N 3.09Å; V270-M272 VanDerWaalsContact C-N 3.28Å; V270-M272 PolarHBondContact O-N 3.26Å; M272-L274 VanDerWaalsContact C-N 3.31Å; M272-L274 PolarHBondContact O-N 3.28Å; M272-R275 PolarHBondContact O-N 3.07Å; M272-N276 PolarHBondContact O-N 3.34Å; M272-N276 PolarHBondContact O-ND2 2.96Å |
| 273 | D | 96.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.7 | -65.4 | -29.8 | 0 | 0 | 0 | 111.8 | C249 S269 V270 N276 F277 | C249-D273 PolarHBondContact SG-O 3.4Å; C249-D273 VanDerWaalsContact SG-O 3.36Å; S269-D273 PolarHBondContact O-N 3.18Å; V270-D273 PolarHBondContact O-N 3.3Å; D273-N276 CarbonylContact O-C 3.58Å; D273-N276 PolarHBondContact O-N 3.26Å; D273-F277 WeakPolarHBondContact O-CB 3.43Å; D273-F277 PolarHBondContact O-N 2.88Å |
| 274 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 179.5 | -68.7 | 172.5 | 0 | 0 | 0 | 112.3 | L250 M254 L257 V270 M272 F277 L278 L297 P301 | L250-L274 HydrophobicContact CD1-CD2 4.42Å; M254-L274 HydrophobicContact CE-CD1 3.97Å; M254-L274 HydrophobicContact CE-CD2 3.72Å; M254-L274 HydrophobicContact CE-CG 4.47Å; L257-L274 HydrophobicContact CD1-CD1 4.24Å; V270-L274 HydrophobicContact CG1-CD1 3.73Å; V270-L274 HydrophobicContact CG1-CG 3.99Å; V270-L274 WeakPolarHBondContact O-CB 3.47Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.37Å; V270-L274 PolarHBondContact O-N 2.85Å; M272-L274 VanDerWaalsContact C-N 3.31Å; M272-L274 PolarHBondContact O-N 3.28Å; L274-F277 WeakPolarHBondContact O-CB 3.22Å; L274-F277 PolarHBondContact O-N 3.26Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.27Å; L274-L278 PolarHBondContact O-N 3.42Å; L274-L297 WeakPolarHBondContact CD1-O 3.4Å; L274-L297 HydrophobicContact CD2-CB 4.44Å; L274-P301 HydrophobicContact CD1-CG 4.03Å |
| 275 | R | 96.5 | Very high | 96.1 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 171.6 | -72 | 176.5 | 177.4 | -168.7 | -3.5 | 111.6 | E116 R271 M272 L278 R279 | E116-R275 IonicContact OE1-CZ 2.77Å; E116-R275 IonicContact OE1-NH1 2.83Å; E116-R275 PolarHBondContact OE1-NH1 3.1Å; R271-R275 WeakPolarHBondContact O-CG 3.34Å; R271-R275 PolarHBondContact O-N 2.98Å; R271-R275 VanDerWaalsContact O-N 3.13Å; M272-R275 PolarHBondContact O-N 3.07Å; R275-L278 PolarHBondContact O-N 3.18Å; R275-R279 PolarHBondContact O-N 2.87Å |
| 276 | N | 96.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 175 | -71.2 | -24 | 0 | 0 | 0 | 111.5 | M272 D273 L278 R279 E280 | M272-N276 PolarHBondContact O-N 3.34Å; M272-N276 PolarHBondContact O-ND2 2.96Å; D273-N276 CarbonylContact O-C 3.58Å; D273-N276 PolarHBondContact O-N 3.26Å; N276-L278 VanDerWaalsContact C-N 3.27Å; N276-L278 PolarHBondContact O-N 2.87Å; N276-R279 PolarHBondContact O-N 3.1Å; N276-R279 PolarHBondContact OD1-NH1 3.18Å; N276-E280 WeakPolarHBondContact O-CG 3.4Å; N276-E280 PolarHBondContact O-N 3.36Å |
| 277 | F | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.8 | -45.6 | 172.6 | 169.7 | -95.1 | 0 | 0 | 0 | 111.3 | L167 N246 L250 D273 L274 E280 Y281 V294 L297 | L167-F277 HydrophobicContact CD1-CZ 4.41Å; N246-F277 VanDerWaalsContact ND2-CD2 3.26Å; N246-F277 WeakPolarHBondContact ND2-CD2 3.19Å; N246-F277 WeakPolarHBondContact ND2-CE2 3.38Å; N246-F277 PolarHBondContact ND2-O 3.32Å; N246-F277 WeakPolarHBondContact O-CD2 3.49Å; N246-F277 WeakPolarHBondContact O-CE2 3.21Å; N246-F277 WeakPolarHBondContact OD1-CE2 3.21Å; L250-F277 HydrophobicContact CB-CD2 3.8Å; L250-F277 HydrophobicContact CB-CE2 3.52Å; L250-F277 HydrophobicContact CB-CZ 4.05Å; L250-F277 HydrophobicContact CD1-CZ 4.4Å; L250-F277 HydrophobicContact CD2-CE2 4.25Å; L250-F277 HydrophobicContact CD2-CZ 4.03Å; L250-F277 HydrophobicContact CG-CE2 4.34Å; L250-F277 HydrophobicContact CG-CZ 4.39Å; D273-F277 WeakPolarHBondContact O-CB 3.43Å; D273-F277 PolarHBondContact O-N 2.88Å; L274-F277 WeakPolarHBondContact O-CB 3.22Å; L274-F277 PolarHBondContact O-N 3.26Å; F277-E280 PolarHBondContact O-N 2.78Å; F277-Y281 AromaticContact CE1-CD2 3.92Å; F277-Y281 HydrophobicContact CE1-CD2 3.92Å; F277-Y281 HydrophobicContact CE1-CG 4.44Å; F277-Y281 HydrophobicContact CE2-CD2 4.39Å; F277-Y281 AromaticContact CZ-CD2 3.6Å; F277-Y281 HydrophobicContact CZ-CD2 3.6Å; F277-Y281 HydrophobicContact CZ-CE2 4.34Å; F277-Y281 HydrophobicContact CZ-CG 4.46Å; F277-Y281 WeakPolarHBondContact O-CA 3.24Å; F277-Y281 WeakPolarHBondContact O-CB 2.74Å; F277-Y281 PolarHBondContact O-N 2.78Å; F277-V294 HydrophobicContact CE1-CG1 4.47Å; F277-L297 HydrophobicContact CD1-CD1 3.87Å; F277-L297 HydrophobicContact CE1-CD1 3.43Å; F277-L297 VanDerWaalsContact CE1-CD1 3.43Å; F277-L297 HydrophobicContact CZ-CD1 4.32Å |
| 278 | L | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | -179.3 | -69.1 | 179.5 | 0 | 0 | 0 | 113.5 | N114 L274 R275 N276 Y281 E282 V294 Q298 | N114-L278 PolarHBondContact ND2-O 2.97Å; N114-L278 WeakPolarHBondContact OD1-CB 3.39Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.27Å; L274-L278 PolarHBondContact O-N 3.42Å; R275-L278 PolarHBondContact O-N 3.18Å; N276-L278 VanDerWaalsContact C-N 3.27Å; N276-L278 PolarHBondContact O-N 2.87Å; L278-Y281 PolarHBondContact O-N 2.9Å; L278-E282 PolarHBondContact O-N 3.46Å; L278-E282 VanDerWaalsContact O-N 3.12Å; L278-V294 HydrophobicContact CD2-CG1 3.57Å; L278-V294 VanDerWaalsContact CD2-O 3.26Å; L278-V294 WeakPolarHBondContact CD2-O 3.1Å; L278-Q298 HydrophobicContact CD1-CB 3.85Å; L278-Q298 HydrophobicContact CD1-CG 4.38Å |
| 279 | R | 97.2 | Very high | 96.9 | Very high | 145 Ų | 145 | 45.1 Ų | 45.1 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 174.8 | -67.6 | 173.1 | -177.2 | 162.9 | -2.2 | 111.1 | R275 N276 Y281 E282 W283 | R275-R279 PolarHBondContact O-N 2.87Å; N276-R279 PolarHBondContact O-N 3.1Å; N276-R279 PolarHBondContact OD1-NH1 3.18Å; R279-Y281 VanDerWaalsContact C-N 3.32Å; R279-Y281 PolarHBondContact O-N 2.6Å; R279-E282 WeakPolarHBondContact O-CB 2.95Å; R279-E282 PolarHBondContact O-N 2.81Å; R279-W283 PolarHBondContact O-N 2.71Å |
| 280 | E | 97.2 | Very high | 97 | Very high | 97 Ų | 97 | 41.7 Ų | 41.7 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -33.1 | 177.5 | -67.3 | -55.8 | 133.5 | 0 | 0 | 112.3 | N246 N276 F277 E282 W283 C284 | N246-E280 WeakPolarHBondContact ND2-CB 3.43Å; N276-E280 WeakPolarHBondContact O-CG 3.4Å; N276-E280 PolarHBondContact O-N 3.36Å; F277-E280 PolarHBondContact O-N 2.78Å; E280-E282 VanDerWaalsContact C-N 3.34Å; E280-W283 PolarHBondContact O-N 2.85Å; E280-C284 WeakPolarHBondContact O-CB 3.14Å; E280-C284 PolarHBondContact O-N 3.25Å; E280-C284 PolarHBondContact O-SG 3.39Å |
| 281 | Y | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.8 | -177.2 | -77.1 | 0 | 0 | 0 | 110.5 | L167 L170 N246 F277 L278 R279 W283 C284 Y285 N289 L290 V294 | L167-Y281 HydrophobicContact CD2-CD2 3.99Å; L167-Y281 HydrophobicContact CD2-CE2 3.54Å; L167-Y281 HydrophobicContact CG-CE2 4.28Å; L170-Y281 WeakPolarHBondContact CD1-OH 3.36Å; N246-Y281 PolarHBondContact ND2-N 3.16Å; F277-Y281 AromaticContact CE1-CD2 3.92Å; F277-Y281 HydrophobicContact CE1-CD2 3.92Å; F277-Y281 HydrophobicContact CE1-CG 4.44Å; F277-Y281 HydrophobicContact CE2-CD2 4.39Å; F277-Y281 AromaticContact CZ-CD2 3.6Å; F277-Y281 HydrophobicContact CZ-CD2 3.6Å; F277-Y281 HydrophobicContact CZ-CE2 4.34Å; F277-Y281 HydrophobicContact CZ-CG 4.46Å; F277-Y281 WeakPolarHBondContact O-CA 3.24Å; F277-Y281 WeakPolarHBondContact O-CB 2.74Å; F277-Y281 PolarHBondContact O-N 2.78Å; L278-Y281 PolarHBondContact O-N 2.9Å; R279-Y281 VanDerWaalsContact C-N 3.32Å; R279-Y281 PolarHBondContact O-N 2.6Å; Y281-W283 VanDerWaalsContact C-N 3.32Å; Y281-W283 PolarHBondContact O-N 2.86Å; Y281-C284 PolarHBondContact O-N 2.87Å; Y281-Y285 AromaticContact CD1-CD2 3.95Å; Y281-Y285 HydrophobicContact CD1-CD2 3.95Å; Y281-Y285 AromaticContact CD2-CD2 3.43Å; Y281-Y285 HydrophobicContact CD2-CD2 3.43Å; Y281-Y285 VanDerWaalsContact CD2-CD2 3.43Å; Y281-Y285 AromaticContact CD2-CE2 3.65Å; Y281-Y285 HydrophobicContact CD2-CE2 3.65Å; Y281-Y285 HydrophobicContact CE1-CD2 4.02Å; Y281-Y285 HydrophobicContact CE1-CG 4.46Å; Y281-Y285 AromaticContact CE2-CD2 3.54Å; Y281-Y285 HydrophobicContact CE2-CD2 3.54Å; Y281-Y285 AromaticContact CE2-CE2 3.89Å; Y281-Y285 HydrophobicContact CE2-CE2 3.89Å; Y281-Y285 HydrophobicContact CE2-CG 4.4Å; Y281-Y285 AromaticContact CG-CD2 3.64Å; Y281-Y285 HydrophobicContact CG-CD2 3.64Å; Y281-Y285 HydrophobicContact CG-CE2 4.2Å; Y281-Y285 AromaticContact CZ-CD2 3.82Å; Y281-Y285 VanDerWaalsContact O-CD2 3.29Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.32Å; Y281-Y285 PolarHBondContact O-N 2.81Å; Y281-N289 HydrophobicContact CE1-CB 3.77Å; Y281-N289 WeakPolarHBondContact CE1-O 3.1Å; Y281-N289 PolarHBondContact OH-O 2.83Å; Y281-L290 HydrophobicContact CD1-CD2 3.66Å; Y281-L290 HydrophobicContact CD1-CG 4.45Å; Y281-L290 HydrophobicContact CE1-CD2 4.28Å; Y281-L290 HydrophobicContact CG-CD2 4.49Å; Y281-V294 HydrophobicContact CD1-CG1 3.93Å; Y281-V294 HydrophobicContact CD2-CG1 4.12Å; Y281-V294 HydrophobicContact CE1-CG1 3.92Å; Y281-V294 HydrophobicContact CE1-CG2 4.31Å; Y281-V294 HydrophobicContact CE2-CG1 4.08Å; Y281-V294 HydrophobicContact CE2-CG2 4.17Å; Y281-V294 HydrophobicContact CG-CG1 4.04Å |
| 282 | E | 97.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 25% | 0.248 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 176.8 | -174 | 166 | -153.3 | 0 | 0 | 111.7 | N114 L278 R279 E280 G286 S287 L290 | N114-E282 PolarHBondContact ND2-OE2 2.85Å; L278-E282 PolarHBondContact O-N 3.46Å; L278-E282 VanDerWaalsContact O-N 3.12Å; R279-E282 WeakPolarHBondContact O-CB 2.95Å; R279-E282 PolarHBondContact O-N 2.81Å; E280-E282 VanDerWaalsContact C-N 3.34Å; E282-G286 WeakPolarHBondContact O-CA 3.39Å; E282-G286 PolarHBondContact O-N 2.97Å; E282-S287 WeakPolarHBondContact CG-OG 3.3Å; E282-S287 WeakPolarHBondContact OE1-CB 3.29Å; E282-S287 PolarHBondContact OE1-OG 3.24Å; E282-L290 HydrophobicContact CB-CD1 4Å; E282-L290 HydrophobicContact CB-CD2 4.43Å; E282-L290 HydrophobicContact CB-CG 4.4Å; E282-L290 HydrophobicContact CG-CD1 3.93Å |
| 283 | W | 95.7 | Very high | 97.2 | Very high | 151 Ų | 151 | 40.5 Ų | 40.5 | 57% | 0.572 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -68.2 | -37.9 | 176.1 | -177.7 | 91.6 | 0 | 0 | 0 | 113.2 | K180 P242 R279 E280 Y281 | K180-W283 PolarHBondContact NZ-O 3.09Å; P242-W283 HydrophobicContact CB-CE3 4.39Å; P242-W283 HydrophobicContact CB-CH2 4.13Å; P242-W283 HydrophobicContact CB-CZ3 3.47Å; P242-W283 VanDerWaalsContact CB-CZ3 3.47Å; P242-W283 HydrophobicContact CG-CH2 4.05Å; P242-W283 HydrophobicContact CG-CZ3 3.91Å; R279-W283 PolarHBondContact O-N 2.71Å; E280-W283 PolarHBondContact O-N 2.85Å; Y281-W283 VanDerWaalsContact C-N 3.32Å; Y281-W283 PolarHBondContact O-N 2.86Å |
| 284 | C | 96.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.1 | -43.1 | -178.8 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | L243 E280 Y281 | L243-C284 HydrophobicContact CD2-CB 3.77Å; E280-C284 WeakPolarHBondContact O-CB 3.14Å; E280-C284 PolarHBondContact O-N 3.25Å; E280-C284 PolarHBondContact O-SG 3.39Å; Y281-C284 PolarHBondContact O-N 2.87Å |
| 285 | Y | 97.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -123.7 | -3.5 | -164.6 | -50.6 | -67.7 | 0 | 0 | 0 | 114.3 | L167 L170 W171 L174 L243 N246 Y281 N289 | L167-Y285 HydrophobicContact CD2-CD2 4.18Å; L167-Y285 HydrophobicContact CD2-CE1 4.35Å; L167-Y285 HydrophobicContact CD2-CE2 3.41Å; L167-Y285 VanDerWaalsContact CD2-CE2 3.41Å; L170-Y285 HydrophobicContact CB-CD1 3.95Å; L170-Y285 HydrophobicContact CB-CE1 4.29Å; L170-Y285 HydrophobicContact CD1-CD1 3.86Å; L170-Y285 HydrophobicContact CD1-CG 3.85Å; L170-Y285 HydrophobicContact CG-CD1 4.42Å; W171-Y285 AromaticContact CD1-CE1 3.9Å; W171-Y285 AromaticContact NE1-CE1 3.76Å; W171-Y285 AromaticContact NE1-CZ 3.77Å; W171-Y285 PolarHBondContact NE1-OH 3.17Å; L174-Y285 HydrophobicContact CD1-CD1 4.4Å; L174-Y285 HydrophobicContact CD1-CE1 4.44Å; L243-Y285 HydrophobicContact CD2-CE1 3.75Å; N246-Y285 WeakPolarHBondContact OD1-CE2 3.4Å; Y281-Y285 AromaticContact CD1-CD2 3.95Å; Y281-Y285 HydrophobicContact CD1-CD2 3.95Å; Y281-Y285 AromaticContact CD2-CD2 3.43Å; Y281-Y285 HydrophobicContact CD2-CD2 3.43Å; Y281-Y285 VanDerWaalsContact CD2-CD2 3.43Å; Y281-Y285 AromaticContact CD2-CE2 3.65Å; Y281-Y285 HydrophobicContact CD2-CE2 3.65Å; Y281-Y285 HydrophobicContact CE1-CD2 4.02Å; Y281-Y285 HydrophobicContact CE1-CG 4.46Å; Y281-Y285 AromaticContact CE2-CD2 3.54Å; Y281-Y285 HydrophobicContact CE2-CD2 3.54Å; Y281-Y285 AromaticContact CE2-CE2 3.89Å; Y281-Y285 HydrophobicContact CE2-CE2 3.89Å; Y281-Y285 HydrophobicContact CE2-CG 4.4Å; Y281-Y285 AromaticContact CG-CD2 3.64Å; Y281-Y285 HydrophobicContact CG-CD2 3.64Å; Y281-Y285 HydrophobicContact CG-CE2 4.2Å; Y281-Y285 AromaticContact CZ-CD2 3.82Å; Y281-Y285 VanDerWaalsContact O-CD2 3.29Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.32Å; Y281-Y285 PolarHBondContact O-N 2.81Å; Y285-N289 PolarHBondContact O-ND2 2.96Å |
| 286 | G | 96.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | trans | 85.4 | 149.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E282 E288 N289 | E282-G286 WeakPolarHBondContact O-CA 3.39Å; E282-G286 PolarHBondContact O-N 2.97Å; G286-E288 VanDerWaalsContact CA-OE2 3.3Å; G286-E288 WeakPolarHBondContact CA-OE2 3.49Å; G286-E288 PolarHBondContact O-N 3.35Å; G286-N289 PolarHBondContact O-N 2.83Å; G286-N289 VanDerWaalsContact O-N 3.07Å | ||
| 287 | S | 97.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.7 | -179.2 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | T111 E282 N289 L290 | T111-S287 WeakPolarHBondContact CG2-O 3.37Å; E282-S287 WeakPolarHBondContact CG-OG 3.3Å; E282-S287 WeakPolarHBondContact OE1-CB 3.29Å; E282-S287 PolarHBondContact OE1-OG 3.24Å; S287-N289 PolarHBondContact O-N 3.38Å; S287-N289 VanDerWaalsContact O-N 3.16Å; S287-L290 PolarHBondContact O-N 3.38Å |
| 288 | E | 96.9 | Very high | 97.3 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -63.9 | -14.3 | 176.3 | 75.5 | -75.5 | -179.8 | 0 | 0 | 113.3 | L106 D107 T111 G286 | L106-E288 HydrophobicContact CB-CB 3.97Å; D107-E288 HydrophobicContact CB-CB 4.18Å; D107-E288 HydrophobicContact CB-CG 4.47Å; T111-E288 WeakPolarHBondContact CG2-O 3.12Å; G286-E288 VanDerWaalsContact CA-OE2 3.3Å; G286-E288 WeakPolarHBondContact CA-OE2 3.49Å; G286-E288 PolarHBondContact O-N 3.35Å |
| 289 | N | 97.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -101.3 | -3 | 178.2 | -71.8 | -65.2 | 0 | 0 | 0 | 114.1 | R109 K166 L170 Y281 Y285 G286 S287 V291 | R109-N289 PolarHBondContact NH1-OD1 2.99Å; K166-N289 WeakPolarHBondContact CE-OD1 3.4Å; K166-N289 PolarHBondContact NZ-OD1 3.36Å; L170-N289 HydrophobicContact CD1-CB 4.37Å; Y281-N289 HydrophobicContact CE1-CB 3.77Å; Y281-N289 WeakPolarHBondContact CE1-O 3.1Å; Y281-N289 PolarHBondContact OH-O 2.83Å; Y285-N289 PolarHBondContact O-ND2 2.96Å; G286-N289 PolarHBondContact O-N 2.83Å; G286-N289 VanDerWaalsContact O-N 3.07Å; S287-N289 PolarHBondContact O-N 3.38Å; S287-N289 VanDerWaalsContact O-N 3.16Å; N289-V291 PolarHBondContact O-N 2.97Å |
| 290 | L | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | trans | -73.7 | 57.9 | 171.3 | -67.3 | 174.9 | 0 | 0 | 0 | 111.7 | T111 F112 Y281 E282 S287 V294 | T111-L290 CarbonylContact C-O 3.51Å; T111-L290 VanDerWaalsContact CA-O 3.26Å; T111-L290 WeakPolarHBondContact CA-O 3.49Å; F112-L290 PolarHBondContact N-O 2.94Å; Y281-L290 HydrophobicContact CD1-CD2 3.66Å; Y281-L290 HydrophobicContact CD1-CG 4.45Å; Y281-L290 HydrophobicContact CE1-CD2 4.28Å; Y281-L290 HydrophobicContact CG-CD2 4.49Å; E282-L290 HydrophobicContact CB-CD1 4Å; E282-L290 HydrophobicContact CB-CD2 4.43Å; E282-L290 HydrophobicContact CB-CG 4.4Å; E282-L290 HydrophobicContact CG-CD1 3.93Å; S287-L290 PolarHBondContact O-N 3.38Å; L290-V294 HydrophobicContact CD2-CG1 4.14Å | ||
| 291 | V | 97.4 | Very high | 97.3 | Very high | 33 Ų | 33 | 21.4 Ų | 21.4 | 20% | 0.2 | 11% | 0.106 | C | C | . | . | trans | -76 | 167.9 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | N289 N293 V294 H295 | N289-V291 PolarHBondContact O-N 2.97Å; V291-N293 PolarHBondContact O-N 3.38Å; V291-N293 VanDerWaalsContact O-N 3.16Å; V291-V294 HydrophobicContact CG2-CG2 4.03Å; V291-V294 WeakPolarHBondContact O-CB 3.32Å; V291-V294 PolarHBondContact O-N 3.1Å; V291-H295 PolarHBondContact O-N 2.82Å | ||
| 292 | Y | 97.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -42.1 | -53.7 | -177.3 | 174.8 | -92 | 0 | 0 | 0 | 114.3 | A78 R81 H90 G95 D97 F112 V294 H295 S296 | A78-Y292 HydrophobicContact CB-CE1 3.88Å; R81-Y292 PolarHBondContact NH2-OH 3.41Å; H90-Y292 HydrophobicContact CB-CD1 3.76Å; H90-Y292 HydrophobicContact CB-CD2 3.67Å; H90-Y292 HydrophobicContact CB-CE1 4.03Å; H90-Y292 HydrophobicContact CB-CE2 3.89Å; H90-Y292 HydrophobicContact CB-CG 3.6Å; H90-Y292 WeakPolarHBondContact O-CB 3.26Å; G95-Y292 VanDerWaalsContact O-CE2 3.31Å; G95-Y292 WeakPolarHBondContact O-CE2 3.47Å; D97-Y292 PolarHBondContact OD2-OH 3.38Å; F112-Y292 HydrophobicContact CE2-CD2 4.35Å; Y292-V294 VanDerWaalsContact C-N 3.27Å; Y292-V294 PolarHBondContact O-N 3.38Å; Y292-H295 PolarHBondContact O-N 3.24Å; Y292-S296 VanDerWaalsContact O-CB 3.25Å; Y292-S296 WeakPolarHBondContact O-CB 3.18Å; Y292-S296 PolarHBondContact O-N 3.48Å; Y292-S296 PolarHBondContact O-OG 2.98Å |
| 293 | N | 97.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 23% | 0.23 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | -177.5 | -74.7 | -17.2 | 0 | 0 | 0 | 112.9 | M158 G162 V163 V291 | M158-N293 HydrophobicContact CG-CB 4.02Å; G162-N293 WeakPolarHBondContact CA-ND2 3.46Å; V163-N293 HydrophobicContact CG2-CB 4.14Å; V163-N293 WeakPolarHBondContact CG2-O 3.43Å; V291-N293 PolarHBondContact O-N 3.38Å; V291-N293 VanDerWaalsContact O-N 3.16Å |
| 294 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.3 | -53.1 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | V163 F277 L278 Y281 L290 V291 Y292 S296 L297 | V163-V294 HydrophobicContact CG2-CG2 4.26Å; F277-V294 HydrophobicContact CE1-CG1 4.47Å; L278-V294 HydrophobicContact CD2-CG1 3.57Å; L278-V294 VanDerWaalsContact CD2-O 3.26Å; L278-V294 WeakPolarHBondContact CD2-O 3.1Å; Y281-V294 HydrophobicContact CD1-CG1 3.93Å; Y281-V294 HydrophobicContact CD2-CG1 4.12Å; Y281-V294 HydrophobicContact CE1-CG1 3.92Å; Y281-V294 HydrophobicContact CE1-CG2 4.31Å; Y281-V294 HydrophobicContact CE2-CG1 4.08Å; Y281-V294 HydrophobicContact CE2-CG2 4.17Å; Y281-V294 HydrophobicContact CG-CG1 4.04Å; L290-V294 HydrophobicContact CD2-CG1 4.14Å; V291-V294 HydrophobicContact CG2-CG2 4.03Å; V291-V294 WeakPolarHBondContact O-CB 3.32Å; V291-V294 PolarHBondContact O-N 3.1Å; Y292-V294 VanDerWaalsContact C-N 3.27Å; Y292-V294 PolarHBondContact O-N 3.38Å; V294-S296 PolarHBondContact O-N 3.2Å; V294-L297 WeakPolarHBondContact O-CB 3.25Å; V294-L297 WeakPolarHBondContact O-CG 3.26Å; V294-L297 PolarHBondContact O-N 3.36Å; V294-L297 VanDerWaalsContact O-N 3.15Å |
| 295 | H | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -53.8 | -40.5 | 176.8 | 170.1 | 86.1 | 0 | 0 | 0 | 112.8 | C96 C99 F112 V291 Y292 L297 Q298 H299 | C96-H295 PolarHBondContact SG-NE2 3.47Å; C99-H295 PolarHBondContact SG-NE2 3.3Å; C99-H295 VanDerWaalsContact SG-NE2 3.44Å; F112-H295 HydrophobicContact CB-CB 3.74Å; F112-H295 HydrophobicContact CD2-CB 4.37Å; F112-H295 HydrophobicContact CG-CB 4.31Å; V291-H295 PolarHBondContact O-N 2.82Å; Y292-H295 PolarHBondContact O-N 3.24Å; H295-L297 PolarHBondContact O-N 3.15Å; H295-Q298 PolarHBondContact CE1-NE2 3.08Å; H295-Q298 PolarHBondContact ND1-NE2 3.22Å; H295-Q298 VanDerWaalsContact ND1-NE2 3.16Å; H295-Q298 WeakPolarHBondContact O-CG 3.39Å; H295-Q298 PolarHBondContact O-N 3.23Å; H295-Q298 PolarHBondContact O-NE2 2.94Å; H295-H299 AromaticContact CD2-NE2 3.82Å; H295-H299 AromaticContact NE2-NE2 3.23Å; H295-H299 PolarHBondContact NE2-NE2 3.37Å |
| 296 | S | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -67.4 | -16.9 | -176.4 | -72.2 | 0 | 0 | 0 | 0 | 114.7 | Y292 V294 Q298 H299 | Y292-S296 VanDerWaalsContact O-CB 3.25Å; Y292-S296 WeakPolarHBondContact O-CB 3.18Å; Y292-S296 PolarHBondContact O-N 3.48Å; Y292-S296 PolarHBondContact O-OG 2.98Å; V294-S296 PolarHBondContact O-N 3.2Å; S296-Q298 PolarHBondContact O-N 3.12Å; S296-H299 PolarHBondContact O-N 2.89Å; S296-H299 VanDerWaalsContact O-N 3.12Å |
| 297 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -55.4 | -38.8 | 176.6 | -71.4 | 170.2 | 0 | 0 | 0 | 112.3 | M158 V159 V163 L250 M254 L274 F277 V294 H295 H299 L300 | M158-L297 HydrophobicContact SD-CD2 3.98Å; M158-L297 HydrophobicContact SD-CG 4.44Å; V159-L297 HydrophobicContact CG2-CD2 4.04Å; V163-L297 HydrophobicContact CG1-CD1 4.05Å; V163-L297 HydrophobicContact CG2-CD1 3.99Å; V163-L297 HydrophobicContact CG2-CD2 4.1Å; V163-L297 HydrophobicContact CG2-CG 4.04Å; L250-L297 HydrophobicContact CD1-CD1 3.82Å; L250-L297 HydrophobicContact CD1-CD2 4Å; M254-L297 HydrophobicContact CE-CD2 4.33Å; M254-L297 HydrophobicContact SD-CD2 4.44Å; L274-L297 WeakPolarHBondContact CD1-O 3.4Å; L274-L297 HydrophobicContact CD2-CB 4.44Å; F277-L297 HydrophobicContact CD1-CD1 3.87Å; F277-L297 HydrophobicContact CE1-CD1 3.43Å; F277-L297 VanDerWaalsContact CE1-CD1 3.43Å; F277-L297 HydrophobicContact CZ-CD1 4.32Å; V294-L297 WeakPolarHBondContact O-CB 3.25Å; V294-L297 WeakPolarHBondContact O-CG 3.26Å; V294-L297 PolarHBondContact O-N 3.36Å; V294-L297 VanDerWaalsContact O-N 3.15Å; H295-L297 PolarHBondContact O-N 3.15Å; L297-H299 PolarHBondContact O-N 3.16Å; L297-L300 HydrophobicContact CD2-CD1 3.79Å; L297-L300 WeakPolarHBondContact O-CB 3.16Å; L297-L300 PolarHBondContact O-N 3.07Å; L297-L300 VanDerWaalsContact O-N 3.09Å |
| 298 | Q | 97.1 | Very high | 97 | Very high | 17 Ų | 17 | 19 Ų | 19 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -63.4 | -17 | -177.2 | 76.9 | -168.5 | -75.3 | 0 | 0 | 114 | L278 H295 S296 | L278-Q298 HydrophobicContact CD1-CB 3.85Å; L278-Q298 HydrophobicContact CD1-CG 4.38Å; H295-Q298 PolarHBondContact CE1-NE2 3.08Å; H295-Q298 PolarHBondContact ND1-NE2 3.22Å; H295-Q298 VanDerWaalsContact ND1-NE2 3.16Å; H295-Q298 WeakPolarHBondContact O-CG 3.39Å; H295-Q298 PolarHBondContact O-N 3.23Å; H295-Q298 PolarHBondContact O-NE2 2.94Å; S296-Q298 PolarHBondContact O-N 3.12Å |
| 299 | H | 97.1 | Very high | 97 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -98.3 | -8.9 | -178.7 | -50.6 | -56.3 | 0 | 0 | 0 | 112.6 | R98 L153 H295 S296 L297 D302 | R98-H299 HydrophobicContact CB-CB 3.9Å; R98-H299 VanDerWaalsContact CB-CD2 3.47Å; R98-H299 WeakPolarHBondContact CB-CD2 3.5Å; R98-H299 VanDerWaalsContact CB-CG 3.44Å; R98-H299 HydrophobicContact CG-CB 3.61Å; L153-H299 HydrophobicContact CD1-CB 3.95Å; H295-H299 AromaticContact CD2-NE2 3.82Å; H295-H299 AromaticContact NE2-NE2 3.23Å; H295-H299 PolarHBondContact NE2-NE2 3.37Å; S296-H299 PolarHBondContact O-N 2.89Å; S296-H299 VanDerWaalsContact O-N 3.12Å; L297-H299 PolarHBondContact O-N 3.16Å; H299-D302 PolarHBondContact O-N 3.17Å |
| 300 | L | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.1 | -36.9 | 176.4 | -77.1 | 173.2 | 0 | 0 | 0 | 114.6 | L153 M158 V159 M254 L257 L297 D302 D303 V304 L310 | L153-L300 HydrophobicContact CB-CD2 4.27Å; M158-L300 HydrophobicContact CE-CD1 4.01Å; M158-L300 HydrophobicContact CE-CD2 3.45Å; M158-L300 VanDerWaalsContact CE-CD2 3.45Å; M158-L300 HydrophobicContact CE-CG 3.68Å; M158-L300 HydrophobicContact SD-CD1 4.15Å; M158-L300 HydrophobicContact SD-CG 4.43Å; V159-L300 HydrophobicContact CG2-CD1 3.59Å; M254-L300 HydrophobicContact CE-CD1 3.85Å; M254-L300 HydrophobicContact SD-CD1 3.81Å; L257-L300 HydrophobicContact CD1-CB 4.2Å; L297-L300 HydrophobicContact CD2-CD1 3.79Å; L297-L300 WeakPolarHBondContact O-CB 3.16Å; L297-L300 PolarHBondContact O-N 3.07Å; L297-L300 VanDerWaalsContact O-N 3.09Å; L300-D302 PolarHBondContact O-N 3.44Å; L300-D303 PolarHBondContact O-N 3.32Å; L300-D303 VanDerWaalsContact O-N 3.17Å; L300-V304 WeakPolarHBondContact O-CG2 3.31Å; L300-V304 PolarHBondContact O-N 3.3Å; L300-L310 HydrophobicContact CD2-CD2 4.26Å |
| 301 | P | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.5 | -37.5 | 176.8 | -28.8 | 37.3 | 0 | 0 | 0 | 113.3 | T267 R271 L274 V304 L305 | T267-P301 HydrophobicContact CG2-CB 3.55Å; R271-P301 HydrophobicContact CB-CB 4.22Å; R271-P301 HydrophobicContact CB-CG 3.95Å; R271-P301 HydrophobicContact CG-CG 4.32Å; L274-P301 HydrophobicContact CD1-CG 4.03Å; P301-V304 PolarHBondContact O-N 3.27Å; P301-L305 WeakPolarHBondContact O-CG 3.5Å; P301-L305 PolarHBondContact O-N 3.25Å |
| 302 | D | 96.4 | Very high | 96.6 | Very high | 37 Ų | 37 | 21 Ų | 21 | 20% | 0.198 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 178.7 | -60.2 | -45.1 | 0 | 0 | 0 | 112 | R271 H299 L300 V304 L305 A306 | R271-D302 IonicContact CZ-OD1 3.46Å; R271-D302 VanDerWaalsContact CZ-OD1 3.22Å; R271-D302 IonicContact CZ-OD2 3.77Å; R271-D302 IonicContact NH1-OD1 2.63Å; R271-D302 PolarHBondContact NH1-OD1 2.85Å; R271-D302 IonicContact NH1-OD2 3.59Å; R271-D302 PolarHBondContact NH1-OD2 3.12Å; R271-D302 IonicContact NH2-OD1 2.89Å; R271-D302 PolarHBondContact NH2-OD1 2.84Å; H299-D302 PolarHBondContact O-N 3.17Å; L300-D302 PolarHBondContact O-N 3.44Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 3.45Å; D302-L305 PolarHBondContact O-N 3.2Å; D302-A306 PolarHBondContact O-N 2.91Å; D302-A306 VanDerWaalsContact O-N 3.14Å |
| 303 | D | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 176 | -71.6 | -25 | 0 | 0 | 0 | 111.7 | R98 P152 L153 L300 A306 H307 F313 | R98-D303 IonicContact CZ-OD1 3.31Å; R98-D303 VanDerWaalsContact CZ-OD1 3.22Å; R98-D303 IonicContact CZ-OD2 3.34Å; R98-D303 IonicContact NE-OD1 3.71Å; R98-D303 IonicContact NE-OD2 2.69Å; R98-D303 IonicContact NH2-OD1 3.22Å; R98-D303 PolarHBondContact NH2-OD1 3.5Å; R98-D303 IonicContact NH2-OD2 3.02Å; R98-D303 PolarHBondContact NH2-OD2 2.76Å; P152-D303 HydrophobicContact CB-CB 4.26Å; L153-D303 WeakPolarHBondContact CB-OD2 3.44Å; L153-D303 WeakPolarHBondContact CG-OD2 3.44Å; L153-D303 PolarHBondContact N-OD2 3.07Å; L300-D303 PolarHBondContact O-N 3.32Å; L300-D303 VanDerWaalsContact O-N 3.17Å; D303-A306 PolarHBondContact O-N 3.33Å; D303-H307 WeakPolarHBondContact O-CB 3.44Å; D303-H307 PolarHBondContact O-CD2 2.93Å; D303-H307 VanDerWaalsContact O-CD2 3.3Å; D303-H307 PolarHBondContact O-N 3.45Å; D303-F313 HydrophobicContact CB-CE2 4.04Å; D303-F313 HydrophobicContact CB-CZ 3.91Å |
| 304 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.4 | -35.8 | 178.5 | 167.6 | 0 | 0 | 0 | 0 | 112 | L257 Y263 L300 P301 D302 A306 G308 L310 F313 | L257-V304 HydrophobicContact CB-CG2 4.08Å; L257-V304 HydrophobicContact CD1-CG2 4.41Å; L257-V304 HydrophobicContact CD2-CB 4.18Å; L257-V304 HydrophobicContact CD2-CG1 3.9Å; L257-V304 HydrophobicContact CD2-CG2 4.13Å; L257-V304 HydrophobicContact CG-CG2 4.42Å; Y263-V304 HydrophobicContact CD2-CG1 3.5Å; Y263-V304 VanDerWaalsContact CD2-CG1 3.5Å; Y263-V304 HydrophobicContact CE2-CG1 4.49Å; Y263-V304 HydrophobicContact CG-CG1 4.1Å; L300-V304 WeakPolarHBondContact O-CG2 3.31Å; L300-V304 PolarHBondContact O-N 3.3Å; P301-V304 PolarHBondContact O-N 3.27Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 3.45Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-G308 VanDerWaalsContact CA-O 3.27Å; V304-G308 WeakPolarHBondContact CA-O 3.26Å; V304-G308 CarbonylContact O-C 3.4Å; V304-G308 WeakPolarHBondContact O-CA 3.45Å; V304-G308 PolarHBondContact O-N 2.87Å; V304-G308 VanDerWaalsContact O-O 3.08Å; V304-L310 HydrophobicContact CG2-CD2 3.65Å; V304-L310 HydrophobicContact CG2-CG 4.33Å; V304-F313 HydrophobicContact CG2-CE1 4.01Å; V304-F313 HydrophobicContact CG2-CZ 3.9Å |
| 305 | L | 95.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 19.5 Ų | 19.5 | 47% | 0.471 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 171.3 | -71.6 | 173.3 | 0 | 0 | 0 | 112.1 | T267 P301 D302 | T267-L305 HydrophobicContact CG2-CD1 3.79Å; T267-L305 HydrophobicContact CG2-CD2 3.92Å; T267-L305 HydrophobicContact CG2-CG 3.62Å; P301-L305 WeakPolarHBondContact O-CG 3.5Å; P301-L305 PolarHBondContact O-N 3.25Å; D302-L305 PolarHBondContact O-N 3.2Å |
| 306 | A | 95.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 44% | 0.438 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -78.8 | -37.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D302 D303 V304 | D302-A306 PolarHBondContact O-N 2.91Å; D302-A306 VanDerWaalsContact O-N 3.14Å; D303-A306 PolarHBondContact O-N 3.33Å; V304-A306 VanDerWaalsContact C-N 3.34Å |
| 307 | H | 95.7 | Very high | 96.1 | Very high | 32 Ų | 32 | 23.1 Ų | 23.1 | 15% | 0.148 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -119.1 | -1.6 | -167.8 | -60.3 | -72.3 | 0 | 0 | 0 | 114.6 | S72 L149 D303 S312 F313 | S72-H307 PolarHBondContact O-CE1 2.99Å; S72-H307 VanDerWaalsContact O-CE1 3.24Å; L149-H307 PolarHBondContact O-CE1 2.86Å; L149-H307 PolarHBondContact O-NE2 3.43Å; D303-H307 WeakPolarHBondContact O-CB 3.44Å; D303-H307 PolarHBondContact O-CD2 2.93Å; D303-H307 VanDerWaalsContact O-CD2 3.3Å; D303-H307 PolarHBondContact O-N 3.45Å; H307-S312 VanDerWaalsContact O-CB 3.25Å; H307-S312 WeakPolarHBondContact O-CB 3.21Å; H307-F313 HydrophobicContact CB-CB 4.02Å; H307-F313 HydrophobicContact CB-CD1 3.51Å; H307-F313 HydrophobicContact CB-CE1 4.22Å; H307-F313 HydrophobicContact CB-CG 4Å |
| 308 | G | 95.4 | Very high | 96 | Very high | 10 Ų | 10 | 25 Ų | 25 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | trans | 88 | -162 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V304 F313 | V304-G308 VanDerWaalsContact CA-O 3.27Å; V304-G308 WeakPolarHBondContact CA-O 3.26Å; V304-G308 CarbonylContact O-C 3.4Å; V304-G308 WeakPolarHBondContact O-CA 3.45Å; V304-G308 PolarHBondContact O-N 2.87Å; V304-G308 VanDerWaalsContact O-O 3.08Å; G308-F313 WeakPolarHBondContact O-CE1 3.34Å | ||
| 309 | P | 96.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -62.1 | 158.8 | -175.3 | 27 | -35.4 | 0 | 0 | 0 | 112.4 | L257 Y263 D311 S312 | L257-P309 VanDerWaalsContact O-CA 3.26Å; L257-P309 WeakPolarHBondContact O-CA 3.44Å; Y263-P309 HydrophobicContact CD1-CB 4.19Å; Y263-P309 HydrophobicContact CD1-CG 4.41Å; Y263-P309 HydrophobicContact CG-CB 4.31Å; P309-D311 PolarHBondContact O-N 3.28Å; P309-S312 WeakPolarHBondContact CD-OG 3.23Å; P309-S312 VanDerWaalsContact O-CB 3.23Å; P309-S312 WeakPolarHBondContact O-CB 3.41Å; P309-S312 PolarHBondContact O-N 2.99Å; P309-S312 PolarHBondContact O-OG 3.29Å |
| 310 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -47.3 | -37.9 | -173.5 | -68.5 | -179.8 | 0 | 0 | 0 | 115.1 | P155 M254 L257 A258 L300 V304 S312 F313 | P155-L310 HydrophobicContact CB-CB 4.32Å; P155-L310 HydrophobicContact CB-CD2 4.33Å; P155-L310 HydrophobicContact CG-CB 4.1Å; P155-L310 HydrophobicContact CG-CD2 3.84Å; P155-L310 WeakPolarHBondContact CG-O 3.44Å; M254-L310 HydrophobicContact CB-CD1 4.28Å; M254-L310 WeakPolarHBondContact O-CD1 3.48Å; M254-L310 HydrophobicContact SD-CD1 3.87Å; L257-L310 HydrophobicContact CB-CD1 3.95Å; L257-L310 HydrophobicContact CB-CD2 4.14Å; L257-L310 HydrophobicContact CB-CG 3.78Å; L257-L310 PolarHBondContact O-N 2.84Å; L257-L310 VanDerWaalsContact O-N 3.1Å; A258-L310 HydrophobicContact CB-CB 4.15Å; A258-L310 HydrophobicContact CB-CD1 4.19Å; A258-L310 HydrophobicContact CB-CG 4.38Å; L300-L310 HydrophobicContact CD2-CD2 4.26Å; V304-L310 HydrophobicContact CG2-CD2 3.65Å; V304-L310 HydrophobicContact CG2-CG 4.33Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 3.21Å; L310-F313 HydrophobicContact CD2-CZ 3.83Å |
| 311 | D | 93.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -69.5 | -25 | -178 | -71.8 | -19.4 | 0 | 0 | 0 | 112.8 | R224 P309 F313 S314 | R224-D311 IonicContact CZ-OD1 2.78Å; R224-D311 IonicContact CZ-OD2 2.65Å; R224-D311 IonicContact NE-OD1 2.76Å; R224-D311 PolarHBondContact NE-OD1 3.27Å; R224-D311 IonicContact NE-OD2 3.83Å; R224-D311 IonicContact NH2-OD1 3.85Å; R224-D311 IonicContact NH2-OD2 3.63Å; R224-D311 PolarHBondContact NH2-OD2 3.43Å; P309-D311 PolarHBondContact O-N 3.28Å; D311-F313 VanDerWaalsContact C-N 3.26Å; D311-F313 PolarHBondContact O-N 2.93Å; D311-S314 PolarHBondContact O-N 3.16Å; D311-S314 PolarHBondContact O-OG 3Å |
| 312 | S | 94.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -63.8 | -27.4 | -176.9 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | H307 P309 L310 | H307-S312 VanDerWaalsContact O-CB 3.25Å; H307-S312 WeakPolarHBondContact O-CB 3.21Å; P309-S312 WeakPolarHBondContact CD-OG 3.23Å; P309-S312 VanDerWaalsContact O-CB 3.23Å; P309-S312 WeakPolarHBondContact O-CB 3.41Å; P309-S312 PolarHBondContact O-N 2.99Å; P309-S312 PolarHBondContact O-OG 3.29Å; L310-S312 VanDerWaalsContact C-N 3.28Å; L310-S312 PolarHBondContact O-N 3.21Å |
| 313 | F | 96.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -121.4 | 25 | 179.2 | 59.2 | -88.5 | 0 | 0 | 0 | 112.2 | I75 P152 P155 D303 V304 H307 G308 L310 D311 | I75-F313 HydrophobicContact CD1-CB 3.86Å; I75-F313 WeakPolarHBondContact CD1-O 3.25Å; P152-F313 HydrophobicContact CB-CB 4.21Å; P152-F313 HydrophobicContact CB-CD2 3.62Å; P152-F313 HydrophobicContact CB-CE2 4.19Å; P152-F313 HydrophobicContact CB-CG 4.09Å; P152-F313 HydrophobicContact CG-CB 3.92Å; P152-F313 HydrophobicContact CG-CD2 4.16Å; P152-F313 HydrophobicContact CG-CG 4.35Å; P155-F313 VanDerWaalsContact CD-CE2 3.49Å; P155-F313 HydrophobicContact CG-CD2 3.9Å; P155-F313 HydrophobicContact CG-CE2 3.37Å; P155-F313 HydrophobicContact CG-CZ 3.94Å; D303-F313 HydrophobicContact CB-CE2 4.04Å; D303-F313 HydrophobicContact CB-CZ 3.91Å; V304-F313 HydrophobicContact CG2-CE1 4.01Å; V304-F313 HydrophobicContact CG2-CZ 3.9Å; H307-F313 HydrophobicContact CB-CB 4.02Å; H307-F313 HydrophobicContact CB-CD1 3.51Å; H307-F313 HydrophobicContact CB-CE1 4.22Å; H307-F313 HydrophobicContact CB-CG 4Å; G308-F313 WeakPolarHBondContact O-CE1 3.34Å; L310-F313 HydrophobicContact CD2-CZ 3.83Å; D311-F313 VanDerWaalsContact C-N 3.26Å; D311-F313 PolarHBondContact O-N 2.93Å |
| 314 | S | 96.8 | Very high | 94 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -85 | 149.5 | 177.3 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | D154 D311 F316 P317 | D154-S314 WeakPolarHBondContact OD1-CA 3.4Å; D311-S314 PolarHBondContact O-N 3.16Å; D311-S314 PolarHBondContact O-OG 3Å; S314-F316 PolarHBondContact O-N 2.92Å; S314-P317 VanDerWaalsContact O-CD 3.32Å; S314-P317 WeakPolarHBondContact O-CD 3.36Å | ||
| 315 | A | 97 | Very high | 93.5 | Very high | 8 Ų | 8 | 44 Ų | 44 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -75.8 | -2.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I75 D154 M156 F318 E319 | I75-A315 HydrophobicContact CG2-CB 3.97Å; D154-A315 PolarHBondContact OD1-N 3.1Å; D154-A315 WeakPolarHBondContact OD2-CB 3.37Å; M156-A315 HydrophobicContact CB-CB 4.37Å; M156-A315 HydrophobicContact CE-CB 3.65Å; M156-A315 HydrophobicContact SD-CB 4.2Å; A315-F318 PolarHBondContact O-N 3.24Å; A315-E319 PolarHBondContact O-N 3.15Å |
| 316 | F | 94.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 45 Ų | 45 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.3 | -47.4 | -176.3 | -79 | -68.5 | 0 | 0 | 0 | 114.4 | M156 Y160 A220 T221 R224 S314 F318 E319 S320 | M156-F316 HydrophobicContact CB-CD2 4.18Å; M156-F316 HydrophobicContact CB-CE2 4.11Å; M156-F316 HydrophobicContact CB-CZ 4.38Å; M156-F316 HydrophobicContact CG-CD1 3.91Å; M156-F316 HydrophobicContact CG-CD2 4.13Å; M156-F316 HydrophobicContact CG-CE1 3.73Å; M156-F316 HydrophobicContact CG-CE2 3.96Å; M156-F316 HydrophobicContact CG-CG 4.11Å; M156-F316 HydrophobicContact CG-CZ 3.76Å; M156-F316 HydrophobicContact SD-CB 4.44Å; M156-F316 HydrophobicContact SD-CD1 3.61Å; M156-F316 HydrophobicContact SD-CD2 4.48Å; M156-F316 HydrophobicContact SD-CE1 3.97Å; M156-F316 HydrophobicContact SD-CG 3.9Å; Y160-F316 AromaticContact CD2-CE2 3.7Å; Y160-F316 HydrophobicContact CD2-CE2 3.7Å; Y160-F316 AromaticContact CD2-CZ 3.74Å; Y160-F316 HydrophobicContact CD2-CZ 3.74Å; Y160-F316 AromaticContact CE2-CE2 3.64Å; Y160-F316 HydrophobicContact CE2-CE2 3.64Å; Y160-F316 HydrophobicContact CE2-CZ 4.12Å; A220-F316 HydrophobicContact CB-CE1 3.59Å; A220-F316 HydrophobicContact CB-CZ 3.85Å; T221-F316 HydrophobicContact CG2-CD1 4.28Å; T221-F316 HydrophobicContact CG2-CE1 3.71Å; R224-F316 HydrophobicContact CB-CZ 4.48Å; S314-F316 PolarHBondContact O-N 2.92Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F316-F318 PolarHBondContact O-N 3.49Å; F316-E319 PolarHBondContact O-N 3.04Å; F316-S320 PolarHBondContact O-N 3.35Å |
| 317 | P | 93.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 21% | 0.208 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -179.9 | -20.8 | 34.1 | 0 | 0 | 0 | 111.8 | R15 V24 S314 S320 Y321 | R15-P317 VanDerWaalsContact NH1-CG 3.31Å; V24-P317 HydrophobicContact CG2-CB 3.73Å; S314-P317 VanDerWaalsContact O-CD 3.32Å; S314-P317 WeakPolarHBondContact O-CD 3.36Å; P317-S320 WeakPolarHBondContact O-CB 3.46Å; P317-S320 PolarHBondContact O-N 3.31Å; P317-Y321 PolarHBondContact O-N 3.24Å |
| 318 | F | 94.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | -179.2 | -58 | -77.3 | 0 | 0 | 0 | 111.7 | L13 R15 V24 I75 A315 F316 S320 Y321 M322 | L13-F318 HydrophobicContact CB-CD1 3.72Å; L13-F318 HydrophobicContact CB-CE1 4.16Å; L13-F318 HydrophobicContact CD1-CB 4.01Å; L13-F318 HydrophobicContact CD1-CD1 3.99Å; R15-F318 HydrophobicContact CB-CE1 4.17Å; R15-F318 HydrophobicContact CB-CZ 4.04Å; V24-F318 HydrophobicContact CG1-CD1 3.78Å; V24-F318 HydrophobicContact CG1-CE1 4.19Å; V24-F318 HydrophobicContact CG2-CD1 4.11Å; V24-F318 HydrophobicContact CG2-CE1 4.26Å; I75-F318 HydrophobicContact CB-CE2 4.19Å; I75-F318 HydrophobicContact CG1-CE2 3.97Å; I75-F318 HydrophobicContact CG2-CD2 4.47Å; I75-F318 HydrophobicContact CG2-CE2 4.49Å; A315-F318 PolarHBondContact O-N 3.24Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F316-F318 PolarHBondContact O-N 3.49Å; F318-S320 VanDerWaalsContact C-N 3.33Å; F318-S320 PolarHBondContact O-N 3.4Å; F318-Y321 PolarHBondContact O-N 2.97Å; F318-M322 VanDerWaalsContact O-CG 3.31Å; F318-M322 WeakPolarHBondContact O-CG 3.24Å; F318-M322 PolarHBondContact O-N 3.47Å |
| 319 | E | 92.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 173.9 | -79.6 | -62.4 | 158.5 | 0 | 0 | 113 | M156 A315 F316 M322 R323 | M156-E319 HydrophobicContact CE-CB 4.49Å; M156-E319 HydrophobicContact CE-CG 3.48Å; M156-E319 VanDerWaalsContact CE-CG 3.48Å; M156-E319 HydrophobicContact SD-CB 4.43Å; M156-E319 HydrophobicContact SD-CG 4Å; A315-E319 PolarHBondContact O-N 3.15Å; F316-E319 PolarHBondContact O-N 3.04Å; E319-M322 WeakPolarHBondContact O-CB 3.3Å; E319-M322 PolarHBondContact O-N 3.08Å; E319-R323 PolarHBondContact O-N 2.77Å |
| 320 | S | 91.3 | Very high | 90.6 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | F316 P317 F318 M322 R323 Q324 | F316-S320 PolarHBondContact O-N 3.35Å; P317-S320 WeakPolarHBondContact O-CB 3.46Å; P317-S320 PolarHBondContact O-N 3.31Å; F318-S320 VanDerWaalsContact C-N 3.33Å; F318-S320 PolarHBondContact O-N 3.4Å; S320-M322 VanDerWaalsContact C-N 3.32Å; S320-M322 PolarHBondContact O-N 2.75Å; S320-R323 WeakPolarHBondContact O-CB 3.49Å; S320-R323 PolarHBondContact O-N 3.35Å; S320-R323 VanDerWaalsContact O-N 3.16Å; S320-Q324 PolarHBondContact O-N 3.4Å |
| 321 | Y | 92 | Very high | 89.9 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 9% | 0.09 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 175.6 | -167.9 | -99.6 | 0 | 0 | 0 | 112.4 | L13 V24 M26 P317 F318 R323 Q324 I325 Y343 | L13-Y321 HydrophobicContact CD1-CD1 4.09Å; L13-Y321 HydrophobicContact CD2-CD1 3.59Å; L13-Y321 HydrophobicContact CD2-CE1 3.64Å; L13-Y321 HydrophobicContact CG-CD1 4.44Å; V24-Y321 HydrophobicContact CB-CD2 4.14Å; V24-Y321 HydrophobicContact CB-CG 4.03Å; V24-Y321 HydrophobicContact CG1-CD1 3.92Å; V24-Y321 HydrophobicContact CG1-CD2 4.23Å; V24-Y321 HydrophobicContact CG1-CG 3.71Å; V24-Y321 WeakPolarHBondContact O-CD2 3.48Å; V24-Y321 VanDerWaalsContact O-CE2 3.23Å; V24-Y321 WeakPolarHBondContact O-CE2 3.36Å; M26-Y321 HydrophobicContact CB-CE1 4.31Å; M26-Y321 HydrophobicContact CE-CE1 4.44Å; P317-Y321 PolarHBondContact O-N 3.24Å; F318-Y321 PolarHBondContact O-N 2.97Å; Y321-R323 PolarHBondContact O-N 3.23Å; Y321-Q324 WeakPolarHBondContact O-CA 3.33Å; Y321-Q324 VanDerWaalsContact O-CB 3.32Å; Y321-Q324 WeakPolarHBondContact O-CB 3.19Å; Y321-Q324 PolarHBondContact O-N 3.13Å; Y321-I325 HydrophobicContact CD1-CD1 4.09Å; Y321-I325 HydrophobicContact CD1-CG1 4.02Å; Y321-I325 HydrophobicContact CE1-CD1 3.77Å; Y321-I325 HydrophobicContact CE1-CG1 3.78Å; Y321-I325 PolarHBondContact O-N 3.42Å; Y321-Y343 WeakPolarHBondContact OH-CD2 3.24Å; Y321-Y343 WeakPolarHBondContact OH-CE2 3.48Å |
| 322 | M | 89.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.3 | -36.1 | 172.2 | -75.2 | -58.7 | 87.2 | 0 | 0 | 114.3 | P11 L13 F318 E319 S320 Q324 I325 K326 | P11-M322 HydrophobicContact CB-CE 3.93Å; P11-M322 HydrophobicContact CB-SD 4.32Å; P11-M322 HydrophobicContact CG-CE 3.29Å; P11-M322 HydrophobicContact CG-SD 3.1Å; P11-M322 WeakPolarHBondContact CG-SD 3.39Å; L13-M322 HydrophobicContact CD1-CE 3.37Å; L13-M322 HydrophobicContact CD1-CG 4.43Å; L13-M322 HydrophobicContact CD1-SD 4.37Å; L13-M322 HydrophobicContact CD2-CE 3.84Å; L13-M322 HydrophobicContact CG-CE 4.02Å; F318-M322 VanDerWaalsContact O-CG 3.31Å; F318-M322 WeakPolarHBondContact O-CG 3.24Å; F318-M322 PolarHBondContact O-N 3.47Å; E319-M322 WeakPolarHBondContact O-CB 3.3Å; E319-M322 PolarHBondContact O-N 3.08Å; S320-M322 VanDerWaalsContact C-N 3.32Å; S320-M322 PolarHBondContact O-N 2.75Å; M322-Q324 VanDerWaalsContact C-N 3.32Å; M322-I325 HydrophobicContact CE-CB 4.33Å; M322-I325 HydrophobicContact CE-CD1 3.24Å; M322-I325 HydrophobicContact CE-CG1 3.81Å; M322-K326 WeakPolarHBondContact O-CB 3.49Å; M322-K326 WeakPolarHBondContact O-CD 3.44Å; M322-K326 VanDerWaalsContact O-CG 3.24Å; M322-K326 WeakPolarHBondContact O-CG 3.5Å; M322-K326 PolarHBondContact O-N 3.19Å |
| 323 | R | 87 | Confident | 88.5 | Confident | 153 Ų | 153 | 61.2 Ų | 61.2 | 58% | 0.577 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | 173.9 | -171.5 | 179.5 | 176.4 | -169.8 | -3.5 | 111.6 | E319 S320 Y321 K326 Q327 | E319-R323 PolarHBondContact O-N 2.77Å; S320-R323 WeakPolarHBondContact O-CB 3.49Å; S320-R323 PolarHBondContact O-N 3.35Å; S320-R323 VanDerWaalsContact O-N 3.16Å; Y321-R323 PolarHBondContact O-N 3.23Å; R323-K326 PolarHBondContact O-N 2.78Å; R323-Q327 VanDerWaalsContact O-CG 3.32Å; R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 3.46Å |
| 324 | Q | 87.5 | Confident | 87.9 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 177.7 | -56.6 | -179 | 38.5 | 0 | 0 | 111.1 | S320 Y321 M322 K326 Q327 S328 | S320-Q324 PolarHBondContact O-N 3.4Å; Y321-Q324 WeakPolarHBondContact O-CA 3.33Å; Y321-Q324 VanDerWaalsContact O-CB 3.32Å; Y321-Q324 WeakPolarHBondContact O-CB 3.19Å; Y321-Q324 PolarHBondContact O-N 3.13Å; M322-Q324 VanDerWaalsContact C-N 3.32Å; Q324-K326 VanDerWaalsContact C-N 3.3Å; Q324-K326 PolarHBondContact O-N 2.53Å; Q324-Q327 PolarHBondContact O-N 3.12Å; Q324-Q327 VanDerWaalsContact O-N 3.1Å; Q324-S328 PolarHBondContact O-N 3.09Å; Q324-S328 VanDerWaalsContact O-N 3.07Å |
| 325 | I | 86.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.5 | -48.8 | 172.5 | -61.3 | -165.5 | 0 | 0 | 0 | 110 | L9 P11 L13 M26 I29 Y321 M322 Q327 S328 A339 | L9-I325 HydrophobicContact CD2-CG2 3.8Å; P11-I325 HydrophobicContact CB-CD1 4.09Å; P11-I325 HydrophobicContact CG-CD1 4.37Å; L13-I325 HydrophobicContact CD2-CD1 4.33Å; M26-I325 HydrophobicContact CE-CD1 3.4Å; M26-I325 VanDerWaalsContact CE-CD1 3.4Å; M26-I325 HydrophobicContact CE-CG1 3.93Å; M26-I325 HydrophobicContact SD-CD1 4.19Å; I29-I325 HydrophobicContact CD1-CD1 4.37Å; I29-I325 HydrophobicContact CD1-CG2 4.15Å; Y321-I325 HydrophobicContact CD1-CD1 4.09Å; Y321-I325 HydrophobicContact CD1-CG1 4.02Å; Y321-I325 HydrophobicContact CE1-CD1 3.77Å; Y321-I325 HydrophobicContact CE1-CG1 3.78Å; Y321-I325 PolarHBondContact O-N 3.42Å; M322-I325 HydrophobicContact CE-CB 4.33Å; M322-I325 HydrophobicContact CE-CD1 3.24Å; M322-I325 HydrophobicContact CE-CG1 3.81Å; I325-Q327 PolarHBondContact O-N 3.24Å; I325-S328 WeakPolarHBondContact O-CB 3.47Å; I325-S328 PolarHBondContact O-N 3.13Å; I325-S328 PolarHBondContact O-OG 3.23Å; I325-A339 HydrophobicContact CG2-CB 3.61Å |
| 326 | K | 84.9 | Confident | 86.9 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -29.1 | -179.3 | -74.2 | 168.2 | -175.8 | 167.6 | 0 | 113.3 | M322 R323 Q324 | M322-K326 WeakPolarHBondContact O-CB 3.49Å; M322-K326 WeakPolarHBondContact O-CD 3.44Å; M322-K326 VanDerWaalsContact O-CG 3.24Å; M322-K326 WeakPolarHBondContact O-CG 3.5Å; M322-K326 PolarHBondContact O-N 3.19Å; R323-K326 PolarHBondContact O-N 2.78Å; Q324-K326 VanDerWaalsContact C-N 3.3Å; Q324-K326 PolarHBondContact O-N 2.53Å |
| 327 | Q | 84.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 67.3 Ų | 67.3 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -78.1 | -23.4 | 175.7 | -74.4 | 172.2 | -37.2 | 0 | 0 | 112.9 | R323 Q324 I325 V329 | R323-Q327 VanDerWaalsContact O-CG 3.32Å; R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 3.46Å; Q324-Q327 PolarHBondContact O-N 3.12Å; Q324-Q327 VanDerWaalsContact O-N 3.1Å; I325-Q327 PolarHBondContact O-N 3.24Å; Q327-V329 VanDerWaalsContact C-N 3.28Å; Q327-V329 PolarHBondContact O-N 3.06Å |
| 328 | S | 82.4 | Confident | 86.5 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.4 | -16.9 | 175.5 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | Q324 I325 | Q324-S328 PolarHBondContact O-N 3.09Å; Q324-S328 VanDerWaalsContact O-N 3.07Å; I325-S328 WeakPolarHBondContact O-CB 3.47Å; I325-S328 PolarHBondContact O-N 3.13Å; I325-S328 PolarHBondContact O-OG 3.23Å |
| 329 | V | 83.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | trans | -91.9 | 116.5 | -176.9 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | Q327 S331 V335 A339 | Q327-V329 VanDerWaalsContact C-N 3.28Å; Q327-V329 PolarHBondContact O-N 3.06Å; V329-S331 WeakPolarHBondContact CG1-O 3.5Å; V329-V335 HydrophobicContact CB-CG1 4.45Å; V329-V335 HydrophobicContact CG1-CB 4.26Å; V329-V335 HydrophobicContact CG1-CG1 3.83Å; V329-V335 HydrophobicContact CG1-CG2 3.97Å; V329-V335 HydrophobicContact CG2-CG1 3.84Å; V329-A339 HydrophobicContact CG2-CB 4.19Å | ||
| 330 | H | 82.6 | Confident | 86.1 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | trans | -96.4 | -23.7 | -175.6 | -69.1 | -58.7 | 0 | 0 | 0 | 113.7 | ||||
| 331 | S | 82.2 | Confident | 86.1 | Confident | 58 Ų | 58 | 65 Ų | 65 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -134.6 | 160.9 | 176.8 | 81.6 | 0 | 0 | 0 | 0 | 112.3 | V329 Y333 Q338 | V329-S331 WeakPolarHBondContact CG1-O 3.5Å; S331-Y333 PolarHBondContact O-N 3.39Å; S331-Y333 PolarHBondContact OG-N 3.48Å; S331-Q338 PolarHBondContact O-NE2 2.85Å; S331-Q338 PolarHBondContact OG-NE2 2.81Å |
| 332 | G | 78.2 | Confident | 86 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -73.7 | -1.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q7 | Q7-G332 PolarHBondContact OE1-O 2.84Š|
| 333 | Y | 79.5 | Confident | 85.9 | Confident | 177 Ų | 177 | 69.5 Ų | 69.5 | 69% | 0.694 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -94 | 129.9 | -178 | 177.9 | -101.7 | 0 | 0 | 0 | 111.2 | S331 V335 Q338 | S331-Y333 PolarHBondContact O-N 3.39Å; S331-Y333 PolarHBondContact OG-N 3.48Å; Y333-V335 VanDerWaalsContact C-N 3.3Å; Y333-V335 PolarHBondContact O-N 2.98Å; Y333-Q338 PolarHBondContact O-NE2 3Å |
| 334 | S | 83.3 | Confident | 86.1 | Confident | 37 Ų | 37 | 65 Ų | 65 | 26% | 0.259 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 49 | 48.7 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | A336 K337 Q338 | S334-A336 VanDerWaalsContact C-N 3.33Å; S334-A336 PolarHBondContact O-N 3.24Å; S334-K337 WeakPolarHBondContact O-CB 3.45Å; S334-K337 PolarHBondContact O-N 3.36Å; S334-Q338 PolarHBondContact O-N 3.24Å |
| 335 | V | 85.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.9 | -45.1 | -172.7 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | Q7 L9 V329 Y333 Q338 A339 | Q7-V335 HydrophobicContact CB-CG2 4.16Å; Q7-V335 VanDerWaalsContact OE1-CG2 3.28Å; L9-V335 HydrophobicContact CD1-CG1 3.94Å; L9-V335 HydrophobicContact CD2-CG1 4.09Å; L9-V335 HydrophobicContact CG-CG1 4.45Å; V329-V335 HydrophobicContact CB-CG1 4.45Å; V329-V335 HydrophobicContact CG1-CB 4.26Å; V329-V335 HydrophobicContact CG1-CG1 3.83Å; V329-V335 HydrophobicContact CG1-CG2 3.97Å; V329-V335 HydrophobicContact CG2-CG1 3.84Å; Y333-V335 VanDerWaalsContact C-N 3.3Å; Y333-V335 PolarHBondContact O-N 2.98Å; V335-Q338 PolarHBondContact O-N 3.43Å; V335-A339 PolarHBondContact O-N 2.77Å; V335-A339 VanDerWaalsContact O-N 3.08Å |
| 336 | A | 86.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L9 I29 S334 A339 A340 | L9-A336 HydrophobicContact CD1-CB 3.82Å; I29-A336 HydrophobicContact CG1-CB 4.25Å; I29-A336 HydrophobicContact CG2-CB 4.26Å; S334-A336 VanDerWaalsContact C-N 3.33Å; S334-A336 PolarHBondContact O-N 3.24Å; A336-A339 PolarHBondContact O-N 2.91Å; A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.44Å |
| 337 | K | 89.5 | Confident | 86.2 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 177 | -174 | 177.8 | 178.3 | 176.9 | 0 | 111.4 | S334 A339 A340 Q341 | S334-K337 WeakPolarHBondContact O-CB 3.45Å; S334-K337 PolarHBondContact O-N 3.36Å; K337-A339 PolarHBondContact O-N 2.95Å; K337-A340 PolarHBondContact O-N 3.33Å; K337-Q341 HydrophobicContact CG-CG 4.29Å; K337-Q341 WeakPolarHBondContact O-CB 3.25Å; K337-Q341 VanDerWaalsContact O-CG 3.28Å; K337-Q341 WeakPolarHBondContact O-CG 3.47Å; K337-Q341 PolarHBondContact O-N 3.08Å |
| 338 | Q | 90.5 | Very high | 86.3 | Confident | 37 Ų | 37 | 63 Ų | 63 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 176 | -74.2 | -179.6 | 69.3 | 0 | 0 | 111.5 | S331 Y333 S334 V335 R342 | S331-Q338 PolarHBondContact O-NE2 2.85Å; S331-Q338 PolarHBondContact OG-NE2 2.81Å; Y333-Q338 PolarHBondContact O-NE2 3Å; S334-Q338 PolarHBondContact O-N 3.24Å; V335-Q338 PolarHBondContact O-N 3.43Å; Q338-R342 WeakPolarHBondContact O-CB 3.34Å; Q338-R342 PolarHBondContact O-N 3.17Å |
| 339 | A | 90.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I29 I325 V329 V335 A336 K337 R342 Y343 | I29-A339 HydrophobicContact CD1-CB 3.71Å; I325-A339 HydrophobicContact CG2-CB 3.61Å; V329-A339 HydrophobicContact CG2-CB 4.19Å; V335-A339 PolarHBondContact O-N 2.77Å; V335-A339 VanDerWaalsContact O-N 3.08Å; A336-A339 PolarHBondContact O-N 2.91Å; K337-A339 PolarHBondContact O-N 2.95Å; A339-R342 PolarHBondContact O-N 2.87Å; A339-Y343 WeakPolarHBondContact O-CB 3.39Å; A339-Y343 PolarHBondContact O-N 3.35Å |
| 340 | A | 89.6 | Confident | 86.2 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I29 A336 K337 Y343 A344 | I29-A340 HydrophobicContact CG2-CB 3.98Å; A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.44Å; K337-A340 PolarHBondContact O-N 3.33Å; A340-Y343 PolarHBondContact O-N 3.4Å; A340-A344 PolarHBondContact O-N 3.25Å |
| 341 | Q | 91.3 | Very high | 85.9 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.7 | -74.6 | -179.8 | -35.5 | 0 | 0 | 111.7 | K337 Y343 A344 E345 | K337-Q341 HydrophobicContact CG-CG 4.29Å; K337-Q341 WeakPolarHBondContact O-CB 3.25Å; K337-Q341 VanDerWaalsContact O-CG 3.28Å; K337-Q341 WeakPolarHBondContact O-CG 3.47Å; K337-Q341 PolarHBondContact O-N 3.08Å; Q341-Y343 VanDerWaalsContact C-N 3.3Å; Q341-Y343 PolarHBondContact O-N 3.27Å; Q341-A344 PolarHBondContact O-N 2.97Å; Q341-E345 WeakPolarHBondContact O-CG 3.4Å; Q341-E345 PolarHBondContact O-N 3.09Å |
| 342 | R | 89.8 | Confident | 85.6 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | -176.7 | 65.1 | 73.5 | -178.4 | 10.7 | 111.8 | Q338 A339 E345 Q346 | Q338-R342 WeakPolarHBondContact O-CB 3.34Å; Q338-R342 PolarHBondContact O-N 3.17Å; A339-R342 PolarHBondContact O-N 2.87Å; R342-E345 WeakPolarHBondContact CD-OE2 3.35Å; R342-E345 IonicContact CZ-OE2 2.75Å; R342-E345 IonicContact NE-OE2 2.72Å; R342-E345 IonicContact NH1-OE2 3.47Å; R342-E345 PolarHBondContact NH1-OE2 3.34Å; R342-E345 WeakPolarHBondContact O-CB 3.41Å; R342-E345 PolarHBondContact O-N 3.16Å; R342-Q346 WeakPolarHBondContact O-CG 3.26Å; R342-Q346 PolarHBondContact O-N 3.49Å |
| 343 | Y | 88.8 | Confident | 85.5 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176 | 179.2 | -104.1 | 0 | 0 | 0 | 111.6 | M26 Y321 A339 A340 Q341 E345 Q346 M347 | M26-Y343 HydrophobicContact CB-CD1 4.19Å; M26-Y343 HydrophobicContact CB-CD2 4.19Å; M26-Y343 HydrophobicContact CB-CE1 4.03Å; M26-Y343 HydrophobicContact CB-CE2 4.02Å; M26-Y343 HydrophobicContact CB-CG 4.25Å; M26-Y343 HydrophobicContact CE-CD2 4.1Å; M26-Y343 HydrophobicContact CE-CG 3.89Å; M26-Y343 PolarHBondContact N-OH 3.46Å; Y321-Y343 WeakPolarHBondContact OH-CD2 3.24Å; Y321-Y343 WeakPolarHBondContact OH-CE2 3.48Å; A339-Y343 WeakPolarHBondContact O-CB 3.39Å; A339-Y343 PolarHBondContact O-N 3.35Å; A340-Y343 PolarHBondContact O-N 3.4Å; Q341-Y343 VanDerWaalsContact C-N 3.3Å; Q341-Y343 PolarHBondContact O-N 3.27Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.41Å; Y343-Q346 WeakPolarHBondContact O-CB 3.38Å; Y343-Q346 PolarHBondContact O-N 2.79Å; Y343-Q346 VanDerWaalsContact O-N 3.16Å; Y343-M347 HydrophobicContact CD1-CG 4.27Å; Y343-M347 HydrophobicContact CD2-CE 4.23Å; Y343-M347 HydrophobicContact CE1-CG 3.85Å; Y343-M347 HydrophobicContact CE2-CE 3.75Å; Y343-M347 HydrophobicContact CE2-CG 4.17Å; Y343-M347 HydrophobicContact CE2-SD 4.08Å; Y343-M347 WeakPolarHBondContact O-CG 3.31Å; Y343-M347 PolarHBondContact O-N 2.7Å |
| 344 | A | 89.6 | Confident | 84.7 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A340 Q341 M347 S348 | A340-A344 PolarHBondContact O-N 3.25Å; Q341-A344 PolarHBondContact O-N 2.97Å; A344-M347 PolarHBondContact O-N 3.3Å; A344-S348 VanDerWaalsContact O-CB 3.29Å; A344-S348 WeakPolarHBondContact O-CB 3.42Å; A344-S348 PolarHBondContact O-N 2.88Å |
| 345 | E | 90.3 | Very high | 83.4 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 172.9 | -73 | 170.3 | -168.2 | 0 | 0 | 111.8 | Q341 R342 Y343 F349 | Q341-E345 WeakPolarHBondContact O-CG 3.4Å; Q341-E345 PolarHBondContact O-N 3.09Å; R342-E345 WeakPolarHBondContact CD-OE2 3.35Å; R342-E345 IonicContact CZ-OE2 2.75Å; R342-E345 IonicContact NE-OE2 2.72Å; R342-E345 IonicContact NH1-OE2 3.47Å; R342-E345 PolarHBondContact NH1-OE2 3.34Å; R342-E345 WeakPolarHBondContact O-CB 3.41Å; R342-E345 PolarHBondContact O-N 3.16Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.41Å; E345-F349 WeakPolarHBondContact O-CB 3.11Å; E345-F349 PolarHBondContact O-N 3.39Å |
| 346 | Q | 86.8 | Confident | 81.8 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 178.1 | -73.7 | 174.6 | -20.9 | 0 | 0 | 111.5 | R342 Y343 F349 C350 | R342-Q346 WeakPolarHBondContact O-CG 3.26Å; R342-Q346 PolarHBondContact O-N 3.49Å; Y343-Q346 WeakPolarHBondContact O-CB 3.38Å; Y343-Q346 PolarHBondContact O-N 2.79Å; Y343-Q346 VanDerWaalsContact O-N 3.16Å; Q346-F349 PolarHBondContact O-N 3.33Å; Q346-C350 PolarHBondContact O-N 2.64Å; Q346-C350 PolarHBondContact O-SG 3.12Å |
| 347 | M | 85.1 | Confident | 79.9 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.8 | -64.8 | -54.8 | 99 | 0 | 0 | 111.2 | Y343 A344 F349 C350 D351 I357 | Y343-M347 HydrophobicContact CD1-CG 4.27Å; Y343-M347 HydrophobicContact CD2-CE 4.23Å; Y343-M347 HydrophobicContact CE1-CG 3.85Å; Y343-M347 HydrophobicContact CE2-CE 3.75Å; Y343-M347 HydrophobicContact CE2-CG 4.17Å; Y343-M347 HydrophobicContact CE2-SD 4.08Å; Y343-M347 WeakPolarHBondContact O-CG 3.31Å; Y343-M347 PolarHBondContact O-N 2.7Å; A344-M347 PolarHBondContact O-N 3.3Å; M347-F349 VanDerWaalsContact C-N 3.27Å; M347-F349 PolarHBondContact O-N 3.47Å; M347-C350 PolarHBondContact O-N 3.27Å; M347-C350 VanDerWaalsContact O-N 3.09Å; M347-D351 PolarHBondContact O-N 2.86Å; M347-I357 HydrophobicContact CE-CD1 3.24Å; M347-I357 HydrophobicContact SD-CD1 3.82Å |
| 348 | S | 86.8 | Confident | 77.7 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 34% | 0.336 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | 177 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | A344 R352 | A344-S348 VanDerWaalsContact O-CB 3.29Å; A344-S348 WeakPolarHBondContact O-CB 3.42Å; A344-S348 PolarHBondContact O-N 2.88Å; S348-R352 WeakPolarHBondContact O-CB 3.27Å; S348-R352 WeakPolarHBondContact O-CG 3.45Å; S348-R352 PolarHBondContact O-N 3.27Å; S348-R352 PolarHBondContact O-NE 3.05Å; S348-R352 VanDerWaalsContact O-NE 3.12Å; S348-R352 VanDerWaalsContact OG-CZ 3.31Å; S348-R352 PolarHBondContact OG-NH2 3.2Å |
| 349 | F | 84.7 | Confident | 75.5 | Confident | 118 Ų | 118 | 86 Ų | 86 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.5 | -175.8 | -103.2 | 0 | 0 | 0 | 112 | E345 Q346 M347 R352 L353 | E345-F349 WeakPolarHBondContact O-CB 3.11Å; E345-F349 PolarHBondContact O-N 3.39Å; Q346-F349 PolarHBondContact O-N 3.33Å; M347-F349 VanDerWaalsContact C-N 3.27Å; M347-F349 PolarHBondContact O-N 3.47Å; F349-R352 PolarHBondContact O-N 3.49Å; F349-L353 HydrophobicContact CD1-CD1 3.82Å; F349-L353 HydrophobicContact CE1-CD1 3.23Å; F349-L353 HydrophobicContact CE1-CG 4.41Å; F349-L353 HydrophobicContact CE2-CD1 4.03Å; F349-L353 HydrophobicContact CG-CD1 4.45Å; F349-L353 HydrophobicContact CZ-CD1 3.36Å; F349-L353 HydrophobicContact CZ-CG 4.36Å; F349-L353 PolarHBondContact O-N 2.91Å; F349-L353 VanDerWaalsContact O-N 3.16Å |
| 350 | C | 78.4 | Confident | 73 | Confident | 23 Ų | 23 | 91.8 Ų | 91.8 | 16% | 0.155 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -71.3 | -40 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | Q346 M347 R352 L353 Q354 V355 I357 | Q346-C350 PolarHBondContact O-N 2.64Å; Q346-C350 PolarHBondContact O-SG 3.12Å; M347-C350 PolarHBondContact O-N 3.27Å; M347-C350 VanDerWaalsContact O-N 3.09Å; C350-R352 VanDerWaalsContact C-N 3.3Å; C350-R352 PolarHBondContact O-N 3.37Å; C350-L353 PolarHBondContact O-N 3.36Å; C350-Q354 PolarHBondContact O-N 2.85Å; C350-V355 PolarHBondContact O-N 3.25Å; C350-I357 HydrophobicContact CB-CD1 3.47Å; C350-I357 VanDerWaalsContact CB-CD1 3.47Å; C350-I357 HydrophobicContact CB-CG1 3.52Å; C350-I357 WeakPolarHBondContact SG-CD1 3.21Å; C350-I357 WeakPolarHBondContact SG-CG1 3.42Å |
| 351 | D | 77.6 | Confident | 70.9 | Confident | 130 Ų | 130 | 93.2 Ų | 93.2 | 70% | 0.695 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.4 | -43.5 | 172.1 | -72.8 | -18.7 | 0 | 0 | 0 | 111.3 | M347 L353 Q354 | M347-D351 PolarHBondContact O-N 2.86Å; D351-L353 VanDerWaalsContact C-N 3.34Å; D351-L353 PolarHBondContact O-N 3.49Å; D351-Q354 PolarHBondContact O-N 3.34Å |
| 352 | R | 75.8 | Confident | 68.8 | Low | 175 Ų | 175 | 93.2 Ų | 93.2 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 178.3 | -80.1 | -177.3 | -70 | -137.4 | -2.4 | 113.5 | S348 F349 C350 | S348-R352 WeakPolarHBondContact O-CB 3.27Å; S348-R352 WeakPolarHBondContact O-CG 3.45Å; S348-R352 PolarHBondContact O-N 3.27Å; S348-R352 PolarHBondContact O-NE 3.05Å; S348-R352 VanDerWaalsContact O-NE 3.12Å; S348-R352 VanDerWaalsContact OG-CZ 3.31Å; S348-R352 PolarHBondContact OG-NH2 3.2Å; F349-R352 PolarHBondContact O-N 3.49Å; C350-R352 VanDerWaalsContact C-N 3.3Å; C350-R352 PolarHBondContact O-N 3.37Å |
| 353 | L | 75.5 | Confident | 67.1 | Low | 93 Ų | 93 | 92.3 Ų | 92.3 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -87.9 | -7.9 | -179.5 | -71 | 176.4 | 0 | 0 | 0 | 113.4 | F349 C350 D351 V355 | F349-L353 HydrophobicContact CD1-CD1 3.82Å; F349-L353 HydrophobicContact CE1-CD1 3.23Å; F349-L353 HydrophobicContact CE1-CG 4.41Å; F349-L353 HydrophobicContact CE2-CD1 4.03Å; F349-L353 HydrophobicContact CG-CD1 4.45Å; F349-L353 HydrophobicContact CZ-CD1 3.36Å; F349-L353 HydrophobicContact CZ-CG 4.36Å; F349-L353 PolarHBondContact O-N 2.91Å; F349-L353 VanDerWaalsContact O-N 3.16Å; C350-L353 PolarHBondContact O-N 3.36Å; D351-L353 VanDerWaalsContact C-N 3.34Å; D351-L353 PolarHBondContact O-N 3.49Å; L353-V355 HydrophobicContact CB-CB 4.07Å; L353-V355 HydrophobicContact CB-CG2 3.62Å; L353-V355 HydrophobicContact CD1-CG2 4.43Å; L353-V355 PolarHBondContact O-N 2.96Å; L353-V355 VanDerWaalsContact O-N 3.09Å |
| 354 | Q | 61.9 | Low | 65.7 | Low | 183 Ų | 183 | 92.7 Ų | 92.7 | 86% | 0.855 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 29 | -166.6 | -58.2 | -178.3 | -4.5 | 0 | 0 | 112.1 | C350 D351 | C350-Q354 PolarHBondContact O-N 2.85Å; D351-Q354 PolarHBondContact O-N 3.34Å |
| 355 | V | 56.4 | Low | 64.5 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | trans | -90.7 | 111.3 | 177.7 | 172 | 0 | 0 | 0 | 0 | 106.2 | C350 L353 I357 | C350-V355 PolarHBondContact O-N 3.25Å; L353-V355 HydrophobicContact CB-CB 4.07Å; L353-V355 HydrophobicContact CB-CG2 3.62Å; L353-V355 HydrophobicContact CD1-CG2 4.43Å; L353-V355 PolarHBondContact O-N 2.96Å; L353-V355 VanDerWaalsContact O-N 3.09Å; V355-I357 PolarHBondContact O-N 3.04Å; V355-I357 VanDerWaalsContact O-N 3.12Å | ||
| 356 | D | 52.2 | Low | 63.5 | Low | 138 Ų | 138 | 89.3 Ų | 89.3 | 74% | 0.738 | 48% | 0.476 | S | S | * | . | trans | -56.1 | 118.8 | 167 | -80.8 | -34 | 0 | 0 | 0 | 107.8 | S358 | D356-S358 PolarHBondContact O-N 3.24Š| ||
| 357 | I | 48.2 | Very low | 63 | Low | 78 Ų | 78 | 88.6 Ų | 88.6 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | trans | -64.6 | -5.9 | 174.1 | -64.3 | 166.8 | 0 | 0 | 0 | 111.1 | M347 C350 V355 T359 | M347-I357 HydrophobicContact CE-CD1 3.24Å; M347-I357 HydrophobicContact SD-CD1 3.82Å; C350-I357 HydrophobicContact CB-CD1 3.47Å; C350-I357 VanDerWaalsContact CB-CD1 3.47Å; C350-I357 HydrophobicContact CB-CG1 3.52Å; C350-I357 WeakPolarHBondContact SG-CD1 3.21Å; C350-I357 WeakPolarHBondContact SG-CG1 3.42Å; V355-I357 PolarHBondContact O-N 3.04Å; V355-I357 VanDerWaalsContact O-N 3.12Å; I357-T359 VanDerWaalsContact C-N 3.33Å; I357-T359 PolarHBondContact O-N 2.84Å | ||
| 358 | S | 43.1 | Very low | 62.4 | Low | 68 Ų | 68 | 87.8 Ų | 87.8 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | trans | -50.2 | 103.3 | 172.9 | 64.7 | 0 | 0 | 0 | 0 | 108.5 | D23 D356 N360 | D23-S358 WeakPolarHBondContact OD2-CA 3.19Å; D356-S358 PolarHBondContact O-N 3.24Å; S358-N360 PolarHBondContact O-N 3.19Å; S358-N360 VanDerWaalsContact O-N 3.15Å | ||
| 359 | T | 43.5 | Very low | 62.1 | Low | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | trans | -53.3 | 126.3 | 156.6 | 58.7 | 0 | 0 | 0 | 0 | 104.2 | D23 I357 D361 | D23-T359 PolarHBondContact OD1-OG1 2.79Å; D23-T359 PolarHBondContact OD2-N 3.22Å; D23-T359 PolarHBondContact OD2-OG1 3.18Å; I357-T359 VanDerWaalsContact C-N 3.33Å; I357-T359 PolarHBondContact O-N 2.84Å; T359-D361 PolarHBondContact O-N 2.84Å | ||
| 360 | N | 36.6 | Very low | 61.4 | Low | 123 Ų | 123 | 83.3 Ų | 83.3 | 66% | 0.658 | 46% | 0.459 | S | S | * | . | trans | -62 | 79.6 | -179.2 | -92.2 | -38.5 | 0 | 0 | 0 | 108.9 | S358 | S358-N360 PolarHBondContact O-N 3.19Å; S358-N360 VanDerWaalsContact O-N 3.15Å | ||
| 361 | D | 47.5 | Very low | 61.5 | Low | 68 Ų | 68 | 93.4 Ų | 93.4 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | trans | -84.5 | 3.7 | 168.4 | -96.7 | -0.7 | 0 | 0 | 0 | 110.1 | T359 P363 | T359-D361 PolarHBondContact O-N 2.84Å; D361-P363 VanDerWaalsContact O-CD 3.32Å; D361-P363 WeakPolarHBondContact O-CD 3.43Å | ||
| 362 | N | 46.2 | Very low | 61.8 | Low | 103 Ų | 103 | 94 Ų | 94 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -59.3 | 119.9 | 158.6 | -75.2 | -29 | 0 | 0 | 0 | 106.7 | V364 | N362-V364 WeakPolarHBondContact O-CG2 3.4Å; N362-V364 PolarHBondContact O-N 3.41Å |
| 363 | P | 53.9 | Low | 62.6 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 49% | 0.494 | 47% | 0.467 | S | S | . | . | trans | -58.4 | 104.4 | -177.3 | 20.2 | -30.4 | 0 | 0 | 0 | 109.1 | D361 I365 R378 | D361-P363 VanDerWaalsContact O-CD 3.32Å; D361-P363 WeakPolarHBondContact O-CD 3.43Å; P363-I365 PolarHBondContact O-N 3.16Å; P363-R378 HydrophobicContact CB-CB 3.67Å; P363-R378 HydrophobicContact CB-CG 3.98Å | ||
| 364 | V | 59.5 | Low | 63.4 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 32% | 0.315 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 113.9 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | N362 T367 M376 R378 | N362-V364 WeakPolarHBondContact O-CG2 3.4Å; N362-V364 PolarHBondContact O-N 3.41Å; V364-T367 HydrophobicContact CG1-CG2 4.03Å; V364-T367 WeakPolarHBondContact CG1-OG1 3.4Å; V364-M376 HydrophobicContact CB-CB 4.33Å; V364-M376 HydrophobicContact CG1-CB 4.01Å; V364-M376 HydrophobicContact CG1-CG 4.38Å; V364-M376 CarbonylContact O-C 3.57Å; V364-R378 PolarHBondContact O-N 2.81Å |
| 365 | I | 65.2 | Low | 64.8 | Low | 58 Ų | 58 | 76 Ų | 76 | 30% | 0.297 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.7 | 177.3 | -60.2 | 177.3 | 0 | 0 | 0 | 107.4 | P363 R378 I447 | P363-I365 PolarHBondContact O-N 3.16Å; I365-R378 HydrophobicContact CD1-CG 3.95Å; I365-R378 HydrophobicContact CG1-CG 3.95Å; I365-I447 HydrophobicContact CG2-CB 4.31Å; I365-I447 HydrophobicContact CG2-CG1 3.69Å; I365-I447 HydrophobicContact CG2-CG2 3.67Å |
| 366 | G | 69.2 | Low | 66.4 | Low | 28 Ų | 28 | 74.4 Ų | 74.4 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.6 | -1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | A368 M376 | G366-A368 PolarHBondContact O-N 3.26Å; G366-A368 VanDerWaalsContact O-N 3.11Å; G366-M376 PolarHBondContact N-O 3.16Å |
| 367 | T | 75.6 | Confident | 68.2 | Low | 81 Ų | 81 | 67.9 Ų | 67.9 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 104.3 | 171 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | V364 M376 | V364-T367 HydrophobicContact CG1-CG2 4.03Å; V364-T367 WeakPolarHBondContact CG1-OG1 3.4Å; T367-M376 PolarHBondContact O-N 3.13Å; T367-M376 VanDerWaalsContact OG1-CB 3.25Å; T367-M376 WeakPolarHBondContact OG1-CB 3.35Å; T367-M376 WeakPolarHBondContact OG1-CG 3.4Å |
| 368 | A | 72.5 | Confident | 69.9 | Low | 37 Ų | 37 | 65.2 Ų | 65.2 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G366 V374 I375 I403 | G366-A368 PolarHBondContact O-N 3.26Å; G366-A368 VanDerWaalsContact O-N 3.11Å; A368-V374 CarbonylContact C-O 3.18Å; A368-V374 WeakPolarHBondContact CA-O 3.49Å; A368-I375 HydrophobicContact CB-CB 4.39Å; A368-I375 HydrophobicContact CB-CD1 4.12Å; A368-I375 HydrophobicContact CB-CG1 4.05Å; A368-I403 HydrophobicContact CB-CG2 4.3Å |
| 369 | D | 79.8 | Confident | 71.8 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 88.5 | 164.9 | -176.1 | -16.2 | 0 | 0 | 0 | 106.5 | R371 K372 Q373 V374 | D369-R371 PolarHBondContact O-N 2.88Å; D369-R371 PolarHBondContact OD1-N 2.87Å; D369-K372 HydrophobicContact CB-CB 4.29Å; D369-K372 CarbonylContact O-C 3.53Å; D369-K372 PolarHBondContact O-N 2.82Å; D369-K372 VanDerWaalsContact O-N 3.09Å; D369-K372 PolarHBondContact OD1-N 2.57Å; D369-K372 VanDerWaalsContact OD2-CD 3.23Å; D369-K372 WeakPolarHBondContact OD2-CD 3.3Å; D369-K372 WeakPolarHBondContact OD2-CE 3.41Å; D369-K372 WeakPolarHBondContact OD2-CG 3.09Å; D369-K372 IonicContact OD2-NZ 2.73Å; D369-K372 PolarHBondContact OD2-NZ 2.87Å; D369-Q373 PolarHBondContact O-N 3.24Å; D369-V374 PolarHBondContact N-O 3.29Å; D369-V374 PolarHBondContact O-N 3.44Å; D369-V374 VanDerWaalsContact O-N 3.09Å |
| 370 | S | 71.6 | Confident | 74 | Confident | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.9 | -177.2 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | K372 Q373 D405 | S370-K372 VanDerWaalsContact C-N 3.26Å; S370-K372 PolarHBondContact O-N 2.79Å; S370-Q373 WeakPolarHBondContact O-CG 3.48Å; S370-Q373 PolarHBondContact O-N 3.04Å; S370-Q373 PolarHBondContact O-NE2 2.69Å; S370-D405 WeakPolarHBondContact CB-OD1 3.3Å; S370-D405 VanDerWaalsContact OG-CG 3.26Å; S370-D405 PolarHBondContact OG-OD1 2.91Å |
| 371 | R | 79.2 | Confident | 76.7 | Confident | 235 Ų | 235 | 62.3 Ų | 62.3 | 89% | 0.887 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.3 | 177.8 | -56.6 | -175.4 | -142.8 | 171.4 | 6.4 | 110.9 | D369 | D369-R371 PolarHBondContact O-N 2.88Å; D369-R371 PolarHBondContact OD1-N 2.87Å |
| 372 | K | 84.9 | Confident | 79 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.8 | 172.5 | -62.8 | -170.3 | -169.9 | 114.7 | 0 | 113 | D369 S370 V374 | D369-K372 HydrophobicContact CB-CB 4.29Å; D369-K372 CarbonylContact O-C 3.53Å; D369-K372 PolarHBondContact O-N 2.82Å; D369-K372 VanDerWaalsContact O-N 3.09Å; D369-K372 PolarHBondContact OD1-N 2.57Å; D369-K372 VanDerWaalsContact OD2-CD 3.23Å; D369-K372 WeakPolarHBondContact OD2-CD 3.3Å; D369-K372 WeakPolarHBondContact OD2-CE 3.41Å; D369-K372 WeakPolarHBondContact OD2-CG 3.09Å; D369-K372 IonicContact OD2-NZ 2.73Å; D369-K372 PolarHBondContact OD2-NZ 2.87Å; S370-K372 VanDerWaalsContact C-N 3.26Å; S370-K372 PolarHBondContact O-N 2.79Å; K372-V374 VanDerWaalsContact C-N 3.3Å; K372-V374 HydrophobicContact CB-CB 4.49Å; K372-V374 HydrophobicContact CB-CG2 4.15Å; K372-V374 WeakPolarHBondContact O-CG2 3.21Å; K372-V374 PolarHBondContact O-N 3.23Å |
| 373 | Q | 93 | Very high | 81.2 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 48.6 | -171.8 | -66 | -78.5 | -55.6 | 0 | 0 | 111.8 | D369 S370 N383 S384 F385 D402 I403 | D369-Q373 PolarHBondContact O-N 3.24Å; S370-Q373 WeakPolarHBondContact O-CG 3.48Å; S370-Q373 PolarHBondContact O-N 3.04Å; S370-Q373 PolarHBondContact O-NE2 2.69Å; Q373-N383 CarbonylContact O-C 3.48Å; Q373-N383 WeakPolarHBondContact O-CA 3.27Å; Q373-N383 VanDerWaalsContact O-CB 3.25Å; Q373-N383 WeakPolarHBondContact O-CB 3.45Å; Q373-S384 WeakPolarHBondContact CB-OG 3.48Å; Q373-S384 PolarHBondContact O-N 3.06Å; Q373-S384 PolarHBondContact OE1-OG 3.22Å; Q373-S384 VanDerWaalsContact OE1-OG 3.06Å; Q373-F385 HydrophobicContact CB-CE2 3.82Å; Q373-F385 HydrophobicContact CG-CE2 4.15Å; Q373-F385 HydrophobicContact CG-CZ 4.39Å; Q373-D402 PolarHBondContact NE2-OD1 2.96Å; Q373-D402 PolarHBondContact OE1-OD1 3.4Å; Q373-D402 VanDerWaalsContact OE1-OD1 3.08Å; Q373-I403 PolarHBondContact NE2-O 2.85Å; Q373-I403 WeakPolarHBondContact O-CD1 3.46Å |
| 374 | V | 91.7 | Very high | 83.1 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | A368 D369 K372 K381 I382 N383 | A368-V374 CarbonylContact C-O 3.18Å; A368-V374 WeakPolarHBondContact CA-O 3.49Å; D369-V374 PolarHBondContact N-O 3.29Å; D369-V374 PolarHBondContact O-N 3.44Å; D369-V374 VanDerWaalsContact O-N 3.09Å; K372-V374 VanDerWaalsContact C-N 3.3Å; K372-V374 HydrophobicContact CB-CB 4.49Å; K372-V374 HydrophobicContact CB-CG2 4.15Å; K372-V374 WeakPolarHBondContact O-CG2 3.21Å; K372-V374 PolarHBondContact O-N 3.23Å; V374-K381 HydrophobicContact CG1-CB 4Å; V374-K381 HydrophobicContact CG1-CD 4.27Å; V374-I382 CarbonylContact C-O 3.54Å; V374-I382 WeakPolarHBondContact CA-O 3.45Å; V374-N383 HydrophobicContact CG2-CB 4.02Å |
| 375 | I | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.3 | 168.5 | -165.7 | 165 | 0 | 0 | 0 | 110.1 | A368 K381 I382 I403 L409 I447 | A368-I375 HydrophobicContact CB-CB 4.39Å; A368-I375 HydrophobicContact CB-CD1 4.12Å; A368-I375 HydrophobicContact CB-CG1 4.05Å; I375-K381 WeakPolarHBondContact O-CA 3.29Å; I375-I382 HydrophobicContact CG2-CB 3.9Å; I375-I382 HydrophobicContact CG2-CG2 4.48Å; I375-I382 PolarHBondContact N-O 3.32Å; I375-I382 PolarHBondContact O-N 3.29Å; I375-I403 HydrophobicContact CB-CD1 4.27Å; I375-I403 HydrophobicContact CB-CG2 4.33Å; I375-I403 HydrophobicContact CG2-CD1 4Å; I375-L409 HydrophobicContact CB-CD2 4.47Å; I375-L409 HydrophobicContact CD1-CD2 4.05Å; I375-L409 HydrophobicContact CG2-CD2 3.89Å; I375-I447 HydrophobicContact CD1-CB 4.01Å; I375-I447 HydrophobicContact CD1-CD1 4.18Å; I375-I447 HydrophobicContact CD1-CG1 4.12Å; I375-I447 HydrophobicContact CG1-CD1 4.42Å; I375-I447 HydrophobicContact CG2-CD1 3.87Å |
| 376 | M | 90.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.3 | 172.6 | -64.3 | -58.8 | -57.6 | 0 | 0 | 110.2 | V364 G366 T367 K381 | V364-M376 HydrophobicContact CB-CB 4.33Å; V364-M376 HydrophobicContact CG1-CB 4.01Å; V364-M376 HydrophobicContact CG1-CG 4.38Å; V364-M376 CarbonylContact O-C 3.57Å; G366-M376 PolarHBondContact N-O 3.16Å; T367-M376 PolarHBondContact O-N 3.13Å; T367-M376 VanDerWaalsContact OG1-CB 3.25Å; T367-M376 WeakPolarHBondContact OG1-CB 3.35Å; T367-M376 WeakPolarHBondContact OG1-CG 3.4Å; M376-K381 HydrophobicContact CE-CG 4.04Å; M376-K381 HydrophobicContact SD-CD 3.87Å; M376-K381 HydrophobicContact SD-CG 3.67Å |
| 377 | F | 89.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 93.5 | 178.4 | -177.6 | -112.9 | 0 | 0 | 0 | 109.2 | N379 S380 I382 I447 V450 K453 | F377-N379 PolarHBondContact O-N 3.41Å; F377-S380 CarbonylContact C-O 3.6Å; F377-S380 PolarHBondContact N-O 2.77Å; F377-S380 CarbonylContact O-C 3.31Å; F377-S380 WeakPolarHBondContact O-CA 3.49Å; F377-S380 WeakPolarHBondContact O-CB 3.18Å; F377-S380 PolarHBondContact O-N 3.06Å; F377-I382 HydrophobicContact CB-CD1 3.67Å; F377-I382 HydrophobicContact CB-CG1 3.95Å; F377-I382 HydrophobicContact CD1-CD1 3.78Å; F377-I382 HydrophobicContact CD1-CG1 4.35Å; F377-I382 HydrophobicContact CD2-CD1 4.09Å; F377-I382 HydrophobicContact CE1-CD1 4.43Å; F377-I382 HydrophobicContact CG-CD1 3.57Å; F377-I382 HydrophobicContact CG-CG1 4.28Å; F377-I447 HydrophobicContact CB-CD1 4.17Å; F377-I447 HydrophobicContact CD2-CD1 3.58Å; F377-I447 HydrophobicContact CD2-CG1 3.94Å; F377-I447 HydrophobicContact CE2-CD1 4.37Å; F377-I447 HydrophobicContact CG-CD1 4.22Å; F377-V450 HydrophobicContact CE1-CG1 4.22Å; F377-V450 HydrophobicContact CE2-CB 3.81Å; F377-V450 HydrophobicContact CE2-CG1 3.85Å; F377-V450 HydrophobicContact CZ-CB 4.08Å; F377-V450 HydrophobicContact CZ-CG1 3.67Å; F377-V450 WeakPolarHBondContact CZ-O 3.38Å; F377-K453 HydrophobicContact CD1-CB 4.45Å |
| 378 | R | 83.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.8 | -124.6 | -178.4 | -49.2 | -175.3 | -165.3 | 160.5 | 17.8 | 110.3 | P363 V364 I365 S380 D451 T471 V472 M473 | P363-R378 HydrophobicContact CB-CB 3.67Å; P363-R378 HydrophobicContact CB-CG 3.98Å; V364-R378 PolarHBondContact O-N 2.81Å; I365-R378 HydrophobicContact CD1-CG 3.95Å; I365-R378 HydrophobicContact CG1-CG 3.95Å; R378-S380 PolarHBondContact O-N 3.5Å; R378-D451 PolarHBondContact NH2-O 3.5Å; R378-T471 VanDerWaalsContact CZ-O 3.26Å; R378-T471 VanDerWaalsContact NH1-C 3.32Å; R378-T471 PolarHBondContact NH1-O 2.66Å; R378-V472 PolarHBondContact NH1-O 2.92Å; R378-M473 VanDerWaalsContact CZ-SD 3.51Å; R378-M473 VanDerWaalsContact NH1-CG 3.34Å; R378-M473 VanDerWaalsContact NH2-CG 3.34Å; R378-M473 PolarHBondContact NH2-SD 2.93Å |
| 379 | N | 81.8 | Confident | 89.4 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 20.2 | 177.1 | -59.1 | -1 | 0 | 0 | 0 | 111.5 | F377 | F377-N379 PolarHBondContact O-N 3.41Š|
| 380 | S | 91.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | -177.3 | -179.7 | -169 | 0 | 0 | 0 | 0 | 110.7 | D204 F377 R378 K453 | D204-S380 VanDerWaalsContact CG-OG 3.25Å; D204-S380 WeakPolarHBondContact OD1-CB 3.31Å; D204-S380 PolarHBondContact OD1-OG 2.83Å; D204-S380 PolarHBondContact OD2-OG 3.04Å; F377-S380 CarbonylContact C-O 3.6Å; F377-S380 PolarHBondContact N-O 2.77Å; F377-S380 CarbonylContact O-C 3.31Å; F377-S380 WeakPolarHBondContact O-CA 3.49Å; F377-S380 WeakPolarHBondContact O-CB 3.18Å; F377-S380 PolarHBondContact O-N 3.06Å; R378-S380 PolarHBondContact O-N 3.5Å; S380-K453 WeakPolarHBondContact OG-CD 3.44Å; S380-K453 PolarHBondContact OG-NZ 3.38Å |
| 381 | K | 92.3 | Very high | 91.5 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.9 | 176.1 | -53.6 | -173.4 | -176 | 179 | 0 | 108.5 | V374 I375 M376 K453 | V374-K381 HydrophobicContact CG1-CB 4Å; V374-K381 HydrophobicContact CG1-CD 4.27Å; I375-K381 WeakPolarHBondContact O-CA 3.29Å; M376-K381 HydrophobicContact CE-CG 4.04Å; M376-K381 HydrophobicContact SD-CD 3.87Å; M376-K381 HydrophobicContact SD-CG 3.67Å; K381-K453 WeakPolarHBondContact O-CE 3.34Å; K381-K453 PolarHBondContact O-NZ 3.31Å |
| 382 | I | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139 | 169.8 | -65.6 | 163.8 | 0 | 0 | 0 | 107.1 | V374 I375 F377 V391 I400 I447 V450 K453 | V374-I382 CarbonylContact C-O 3.54Å; V374-I382 WeakPolarHBondContact CA-O 3.45Å; I375-I382 HydrophobicContact CG2-CB 3.9Å; I375-I382 HydrophobicContact CG2-CG2 4.48Å; I375-I382 PolarHBondContact N-O 3.32Å; I375-I382 PolarHBondContact O-N 3.29Å; F377-I382 HydrophobicContact CB-CD1 3.67Å; F377-I382 HydrophobicContact CB-CG1 3.95Å; F377-I382 HydrophobicContact CD1-CD1 3.78Å; F377-I382 HydrophobicContact CD1-CG1 4.35Å; F377-I382 HydrophobicContact CD2-CD1 4.09Å; F377-I382 HydrophobicContact CE1-CD1 4.43Å; F377-I382 HydrophobicContact CG-CD1 3.57Å; F377-I382 HydrophobicContact CG-CG1 4.28Å; I382-V391 HydrophobicContact CD1-CG1 3.78Å; I382-V391 HydrophobicContact CG1-CG1 4.13Å; I382-V391 HydrophobicContact CG2-CG1 4.17Å; I382-I400 HydrophobicContact CG2-CB 4.24Å; I382-I400 HydrophobicContact CG2-CG1 3.84Å; I382-I447 HydrophobicContact CD1-CD1 4.08Å; I382-V450 HydrophobicContact CD1-CG1 4.02Å; I382-K453 HydrophobicContact CG1-CD 4.25Å; I382-K453 HydrophobicContact CG1-CG 4.43Å |
| 383 | N | 94.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 179.1 | 172.1 | 69.2 | 4.1 | 0 | 0 | 0 | 110.6 | Q373 V374 F385 D388 N389 | Q373-N383 CarbonylContact O-C 3.48Å; Q373-N383 WeakPolarHBondContact O-CA 3.27Å; Q373-N383 VanDerWaalsContact O-CB 3.25Å; Q373-N383 WeakPolarHBondContact O-CB 3.45Å; V374-N383 HydrophobicContact CG2-CB 4.02Å; N383-F385 VanDerWaalsContact CG-O 3.29Å; N383-F385 PolarHBondContact ND2-O 3.2Å; N383-F385 PolarHBondContact OD1-N 2.96Å; N383-F385 PolarHBondContact OD1-O 2.68Å; N383-D388 PolarHBondContact N-O 3.34Å; N383-D388 WeakPolarHBondContact OD1-CA 3.3Å; N383-D388 VanDerWaalsContact OD1-CB 3.25Å; N383-D388 WeakPolarHBondContact OD1-CB 3.2Å; N383-D388 PolarHBondContact OD1-O 3.3Å; N383-N389 VanDerWaalsContact O-CA 3.28Å; N383-N389 WeakPolarHBondContact O-CA 3.38Å; N383-N389 WeakPolarHBondContact O-CB 3.35Å; N383-N389 PolarHBondContact OD1-N 3.39Å |
| 384 | S | 93.7 | Very high | 93 | Very high | 11 Ų | 11 | 37 Ų | 37 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -89.7 | 2.2 | 173.4 | 64.3 | 0 | 0 | 0 | 0 | 114.3 | Q373 N389 I400 | Q373-S384 WeakPolarHBondContact CB-OG 3.48Å; Q373-S384 PolarHBondContact O-N 3.06Å; Q373-S384 PolarHBondContact OE1-OG 3.22Å; Q373-S384 VanDerWaalsContact OE1-OG 3.06Å; S384-N389 PolarHBondContact O-ND2 2.63Å; S384-I400 CarbonylContact C-O 3.59Å |
| 385 | F | 93.5 | Very high | 93.1 | Very high | 126 Ų | 126 | 37.3 Ų | 37.3 | 55% | 0.553 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -119.1 | 142.6 | -173.1 | -53.7 | -74.7 | 0 | 0 | 0 | 112.8 | Q373 N383 D388 N389 | Q373-F385 HydrophobicContact CB-CE2 3.82Å; Q373-F385 HydrophobicContact CG-CE2 4.15Å; Q373-F385 HydrophobicContact CG-CZ 4.39Å; N383-F385 VanDerWaalsContact CG-O 3.29Å; N383-F385 PolarHBondContact ND2-O 3.2Å; N383-F385 PolarHBondContact OD1-N 2.96Å; N383-F385 PolarHBondContact OD1-O 2.68Å; F385-D388 PolarHBondContact O-N 3.06Å; F385-N389 VanDerWaalsContact C-CG 3.5Å; F385-N389 PolarHBondContact O-N 2.69Å |
| 386 | H | 92.8 | Very high | 93.3 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 41% | 0.407 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 139.9 | 171.5 | -172.6 | 77 | 0 | 0 | 0 | 110.7 | E199 S200 N389 S456 | E199-H386 PolarHBondContact O-NE2 3.4Å; S200-H386 WeakPolarHBondContact CA-NE2 3.42Å; S200-H386 PolarHBondContact OG-NE2 2.92Å; H386-N389 WeakPolarHBondContact CA-OD1 3.19Å; H386-N389 PolarHBondContact N-OD1 2.96Å; H386-S456 PolarHBondContact CE1-OG 3.27Å |
| 387 | P | 94.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -97.7 | 2.4 | 6.7 | 36.5 | -34 | 0 | 0 | 0 | 116.2 | T201 | T201-P387 VanDerWaalsContact O-CG 3.23Å; T201-P387 WeakPolarHBondContact O-CG 3.34Å |
| 388 | D | 96.2 | Very high | 94 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 9.4 | -171.4 | -63 | -80.6 | 0 | 0 | 0 | 113.9 | S203 N383 F385 K453 | S203-D388 WeakPolarHBondContact CB-OD1 3.41Å; S203-D388 PolarHBondContact N-OD1 3.38Å; S203-D388 PolarHBondContact N-OD2 3.14Å; S203-D388 VanDerWaalsContact OG-CG 3.25Å; S203-D388 PolarHBondContact OG-OD1 3.08Å; S203-D388 PolarHBondContact OG-OD2 3.2Å; N383-D388 PolarHBondContact N-O 3.34Å; N383-D388 WeakPolarHBondContact OD1-CA 3.3Å; N383-D388 VanDerWaalsContact OD1-CB 3.25Å; N383-D388 WeakPolarHBondContact OD1-CB 3.2Å; N383-D388 PolarHBondContact OD1-O 3.3Å; F385-D388 PolarHBondContact O-N 3.06Å; D388-K453 WeakPolarHBondContact O-CE 3Å; D388-K453 WeakPolarHBondContact OD1-CE 3.29Å; D388-K453 IonicContact OD1-NZ 2.96Å; D388-K453 PolarHBondContact OD1-NZ 3.15Å |
| 389 | N | 96.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3.2 | -174.6 | 75.3 | -28.4 | 0 | 0 | 0 | 115 | N383 S384 F385 H386 L399 I400 | N383-N389 VanDerWaalsContact O-CA 3.28Å; N383-N389 WeakPolarHBondContact O-CA 3.38Å; N383-N389 WeakPolarHBondContact O-CB 3.35Å; N383-N389 PolarHBondContact OD1-N 3.39Å; S384-N389 PolarHBondContact O-ND2 2.63Å; F385-N389 VanDerWaalsContact C-CG 3.5Å; F385-N389 PolarHBondContact O-N 2.69Å; H386-N389 WeakPolarHBondContact CA-OD1 3.19Å; H386-N389 PolarHBondContact N-OD1 2.96Å; N389-L399 CarbonylContact O-C 3.59Å; N389-L399 WeakPolarHBondContact O-CA 3.42Å; N389-I400 WeakPolarHBondContact CB-O 3.09Å; N389-I400 PolarHBondContact ND2-O 3.29Å; N389-I400 PolarHBondContact O-N 2.92Å |
| 390 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.3 | -178.9 | -166.4 | 0 | 0 | 0 | 0 | 109.7 | L399 F414 C454 V465 | V390-L399 HydrophobicContact CB-CD2 4.31Å; V390-L399 HydrophobicContact CG1-CD2 4.3Å; V390-L399 HydrophobicContact CG2-CD2 3.72Å; V390-F414 HydrophobicContact CG1-CE2 4.48Å; V390-C454 HydrophobicContact CB-CB 4.3Å; V390-C454 HydrophobicContact CG1-CB 3.99Å; V390-C454 PolarHBondContact O-N 3.38Å; V390-V465 HydrophobicContact CG1-CG1 3.93Å; V390-V465 HydrophobicContact CG1-CG2 4.31Å |
| 391 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.3 | -174.9 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | I382 V393 P397 G398 I400 F411 V450 C452 | I382-V391 HydrophobicContact CD1-CG1 3.78Å; I382-V391 HydrophobicContact CG1-CG1 4.13Å; I382-V391 HydrophobicContact CG2-CG1 4.17Å; V391-V393 HydrophobicContact CG2-CG2 3.94Å; V391-P397 WeakPolarHBondContact O-CA 3.4Å; V391-G398 PolarHBondContact N-O 2.8Å; V391-G398 PolarHBondContact O-N 3.37Å; V391-I400 HydrophobicContact CG1-CG1 4.2Å; V391-I400 HydrophobicContact CG2-CD1 3.74Å; V391-I400 HydrophobicContact CG2-CG1 3.85Å; V391-F411 HydrophobicContact CG2-CD2 4Å; V391-F411 HydrophobicContact CG2-CE2 3.95Å; V391-V450 HydrophobicContact CB-CG1 4.06Å; V391-V450 HydrophobicContact CG1-CG1 4.18Å; V391-C452 WeakPolarHBondContact CA-O 3.45Å |
| 392 | V | 97.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.6 | 164.1 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | K396 P397 F433 D451 C452 | V392-K396 WeakPolarHBondContact CA-O 3.47Å; V392-P397 HydrophobicContact CG2-CB 4.42Å; V392-F433 HydrophobicContact CG1-CE2 4.47Å; V392-F433 HydrophobicContact CG2-CD2 4.44Å; V392-F433 HydrophobicContact CG2-CE2 3.8Å; V392-D451 HydrophobicContact CB-CB 4.38Å; V392-D451 HydrophobicContact CG1-CB 4.31Å; V392-D451 PolarHBondContact O-N 2.99Å; V392-C452 PolarHBondContact N-O 2.69Å |
| 393 | V | 96.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.7 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | V391 G395 K396 F411 V445 D449 V450 | V391-V393 HydrophobicContact CG2-CG2 3.94Å; V393-G395 VanDerWaalsContact C-N 3.25Å; V393-G395 PolarHBondContact O-N 3.02Å; V393-K396 PolarHBondContact N-O 2.85Å; V393-K396 WeakPolarHBondContact O-CB 3.44Å; V393-K396 PolarHBondContact O-N 3.14Å; V393-F411 HydrophobicContact CB-CD2 4.4Å; V393-F411 HydrophobicContact CB-CE1 4.21Å; V393-F411 HydrophobicContact CB-CE2 4.06Å; V393-F411 HydrophobicContact CB-CZ 3.97Å; V393-F411 HydrophobicContact CG2-CD2 3.72Å; V393-F411 HydrophobicContact CG2-CE2 3.66Å; V393-F411 HydrophobicContact CG2-CG 4.19Å; V393-F411 HydrophobicContact CG2-CZ 4.1Å; V393-V445 HydrophobicContact CG1-CB 4.35Å; V393-V445 HydrophobicContact CG1-CG1 4.14Å; V393-V445 HydrophobicContact CG1-CG2 4.49Å; V393-V445 HydrophobicContact CG2-CG2 4.38Å; V393-D449 HydrophobicContact CG1-CB 4.01Å; V393-V450 HydrophobicContact CG2-CG2 4.2Å |
| 394 | K | 94.4 | Very high | 95.6 | Very high | 142 Ų | 142 | 37.2 Ų | 37.2 | 62% | 0.617 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 46.9 | -178.6 | -62.8 | 176.3 | 176 | 162.5 | 0 | 112.4 | K396 D449 D451 | K394-K396 VanDerWaalsContact C-N 3.27Å; K394-K396 PolarHBondContact O-N 2.91Å; K394-D449 WeakPolarHBondContact CE-OD1 3.26Å; K394-D449 IonicContact NZ-OD1 3.06Å; K394-D449 PolarHBondContact NZ-OD1 3.12Å; K394-D449 IonicContact NZ-OD2 3.22Å; K394-D451 WeakPolarHBondContact CA-OD2 3.36Å; K394-D451 PolarHBondContact N-OD2 3.42Å |
| 395 | G | 94.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 43 Ų | 43 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 2.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V393 D451 | V393-G395 VanDerWaalsContact C-N 3.25Å; V393-G395 PolarHBondContact O-N 3.02Å; G395-D451 PolarHBondContact N-OD2 3.41Å |
| 396 | K | 95.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.4 | -177.9 | -56.5 | -171.7 | -176 | 176.8 | 0 | 111 | V392 V393 K394 F411 Q413 | V392-K396 WeakPolarHBondContact CA-O 3.47Å; V393-K396 PolarHBondContact N-O 2.85Å; V393-K396 WeakPolarHBondContact O-CB 3.44Å; V393-K396 PolarHBondContact O-N 3.14Å; K394-K396 VanDerWaalsContact C-N 3.27Å; K394-K396 PolarHBondContact O-N 2.91Å; K396-F411 WeakPolarHBondContact O-CZ 3.27Å; K396-Q413 HydrophobicContact CB-CG 3.91Å; K396-Q413 HydrophobicContact CD-CG 4.48Å |
| 397 | P | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 147.4 | 177.8 | 31.6 | -36.1 | 0 | 0 | 0 | 111.1 | V391 V392 Q413 F414 P417 F433 V465 | V391-P397 WeakPolarHBondContact O-CA 3.4Å; V392-P397 HydrophobicContact CG2-CB 4.42Å; P397-Q413 WeakPolarHBondContact O-CG 3.49Å; P397-F414 HydrophobicContact CB-CD2 4.04Å; P397-F414 HydrophobicContact CG-CB 4.47Å; P397-F414 HydrophobicContact CG-CD2 4.37Å; P397-F414 PolarHBondContact O-N 3.09Å; P397-P417 HydrophobicContact CG-CB 3.64Å; P397-P417 HydrophobicContact CG-CG 4.15Å; P397-F433 HydrophobicContact CB-CD2 3.87Å; P397-F433 HydrophobicContact CB-CE2 4.29Å; P397-F433 HydrophobicContact CB-CG 4.2Å; P397-F433 HydrophobicContact CG-CB 4.06Å; P397-F433 HydrophobicContact CG-CD1 4.02Å; P397-F433 HydrophobicContact CG-CD2 3.88Å; P397-F433 HydrophobicContact CG-CE1 4.44Å; P397-F433 HydrophobicContact CG-CE2 4.31Å; P397-F433 HydrophobicContact CG-CG 3.72Å; P397-V465 HydrophobicContact CB-CG1 4.38Å |
| 398 | G | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | -170.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V391 R412 | V391-G398 PolarHBondContact N-O 2.8Å; V391-G398 PolarHBondContact O-N 3.37Å; G398-R412 CarbonylContact C-O 3.57Å; G398-R412 WeakPolarHBondContact CA-O 3.31Å |
| 399 | L | 97.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 18% | 0.183 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.9 | -177.3 | -57 | -178.3 | 0 | 0 | 0 | 110.8 | N389 V390 T401 F411 R412 F414 V438 | N389-L399 CarbonylContact O-C 3.59Å; N389-L399 WeakPolarHBondContact O-CA 3.42Å; V390-L399 HydrophobicContact CB-CD2 4.31Å; V390-L399 HydrophobicContact CG1-CD2 4.3Å; V390-L399 HydrophobicContact CG2-CD2 3.72Å; L399-T401 HydrophobicContact CB-CG2 4.25Å; L399-F411 CarbonylContact O-C 3.6Å; L399-F411 WeakPolarHBondContact O-CA 3.49Å; L399-R412 PolarHBondContact N-O 2.85Å; L399-R412 PolarHBondContact O-N 2.94Å; L399-F414 HydrophobicContact CD1-CZ 4.5Å; L399-F414 HydrophobicContact CD2-CE2 4.12Å; L399-F414 HydrophobicContact CD2-CZ 3.9Å; L399-F414 HydrophobicContact CG-CE2 4.3Å; L399-F414 HydrophobicContact CG-CZ 4.05Å; L399-V438 HydrophobicContact CD1-CG1 4.2Å; L399-V438 HydrophobicContact CD1-CG2 3.66Å; L399-V438 HydrophobicContact CG-CG2 4.3Å |
| 400 | I | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.1 | 161 | -56.7 | -47.2 | 0 | 0 | 0 | 108.1 | I382 S384 N389 V391 I403 L409 K410 F411 | I382-I400 HydrophobicContact CG2-CB 4.24Å; I382-I400 HydrophobicContact CG2-CG1 3.84Å; S384-I400 CarbonylContact C-O 3.59Å; N389-I400 WeakPolarHBondContact CB-O 3.09Å; N389-I400 PolarHBondContact ND2-O 3.29Å; N389-I400 PolarHBondContact O-N 2.92Å; V391-I400 HydrophobicContact CG1-CG1 4.2Å; V391-I400 HydrophobicContact CG2-CD1 3.74Å; V391-I400 HydrophobicContact CG2-CG1 3.85Å; I400-I403 HydrophobicContact CG2-CD1 4.24Å; I400-I403 HydrophobicContact CG2-CG1 3.84Å; I400-L409 HydrophobicContact CD1-CB 3.82Å; I400-L409 HydrophobicContact CD1-CD1 4.2Å; I400-L409 HydrophobicContact CG1-CB 4.49Å; I400-L409 HydrophobicContact CG1-CD1 4.47Å; I400-L409 HydrophobicContact CG2-CB 4.19Å; I400-K410 WeakPolarHBondContact CA-O 3.24Å; I400-F411 HydrophobicContact CD1-CB 4.14Å; I400-F411 HydrophobicContact CD1-CD2 4Å |
| 401 | T | 96.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -8.6 | -175 | 54 | 0 | 0 | 0 | 0 | 114 | L399 K410 R412 | L399-T401 HydrophobicContact CB-CG2 4.25Å; T401-K410 PolarHBondContact N-O 3.42Å; T401-K410 PolarHBondContact OG1-O 3Å; T401-K410 VanDerWaalsContact OG1-O 3.11Å; T401-R412 HydrophobicContact CG2-CG 4.25Å |
| 402 | D | 95.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 148.7 | 174.8 | -172.2 | 28 | 0 | 0 | 0 | 109.2 | Q373 K410 W444 | Q373-D402 PolarHBondContact NE2-OD1 2.96Å; Q373-D402 PolarHBondContact OE1-OD1 3.4Å; Q373-D402 VanDerWaalsContact OE1-OD1 3.08Å; D402-K410 HydrophobicContact CB-CB 3.67Å; D402-K410 HydrophobicContact CB-CD 3.81Å; D402-K410 HydrophobicContact CB-CG 4.42Å; D402-K410 PolarHBondContact O-N 3.43Å; D402-W444 HydrophobicContact CB-CH2 4.41Å |
| 403 | I | 94.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 117.1 | 178.7 | -57.2 | -171.9 | 0 | 0 | 0 | 108.9 | A368 Q373 I375 I400 L409 | A368-I403 HydrophobicContact CB-CG2 4.3Å; Q373-I403 PolarHBondContact NE2-O 2.85Å; Q373-I403 WeakPolarHBondContact O-CD1 3.46Å; I375-I403 HydrophobicContact CB-CD1 4.27Å; I375-I403 HydrophobicContact CB-CG2 4.33Å; I375-I403 HydrophobicContact CG2-CD1 4Å; I400-I403 HydrophobicContact CG2-CD1 4.24Å; I400-I403 HydrophobicContact CG2-CG1 3.84Å; I403-L409 HydrophobicContact CB-CD2 4.3Å; I403-L409 HydrophobicContact CD1-CD2 4.04Å; I403-L409 HydrophobicContact CG1-CD2 3.81Å; I403-L409 HydrophobicContact CG2-CD2 3.91Å |
| 404 | Q | 91.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | trans | -81.7 | 158.7 | 177.7 | -70.9 | -175.9 | -5.9 | 0 | 0 | 112.4 | S406 G407 L408 W444 | Q404-S406 WeakPolarHBondContact CB-OG 3.47Å; Q404-S406 PolarHBondContact O-N 3.04Å; Q404-S406 PolarHBondContact OE1-OG 3Å; Q404-G407 PolarHBondContact O-N 2.9Å; Q404-L408 HydrophobicContact CB-CB 4.48Å; Q404-L408 PolarHBondContact N-O 3.24Å; Q404-W444 HydrophobicContact CG-CE3 4.46Å; Q404-W444 HydrophobicContact CG-CH2 3.59Å; Q404-W444 HydrophobicContact CG-CZ2 4.47Å; Q404-W444 HydrophobicContact CG-CZ3 3.58Å | ||
| 405 | D | 83.8 | Confident | 94.3 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.7 | 170.4 | -74.7 | -45.8 | 0 | 0 | 0 | 113.1 | S370 G407 | S370-D405 WeakPolarHBondContact CB-OD1 3.3Å; S370-D405 VanDerWaalsContact OG-CG 3.26Å; S370-D405 PolarHBondContact OG-OD1 2.91Å; D405-G407 PolarHBondContact O-N 2.8Å |
| 406 | S | 86 | Confident | 94.2 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 58% | 0.58 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.6 | 175.4 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | Q404 L408 | Q404-S406 WeakPolarHBondContact CB-OG 3.47Å; Q404-S406 PolarHBondContact O-N 3.04Å; Q404-S406 PolarHBondContact OE1-OG 3Å; S406-L408 VanDerWaalsContact C-N 3.32Å; S406-L408 PolarHBondContact OG-N 3.15Å |
| 407 | G | 86.7 | Confident | 94.2 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 83.9 | 1.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q404 D405 | Q404-G407 PolarHBondContact O-N 2.9Å; D405-G407 PolarHBondContact O-N 2.8Å |
| 408 | L | 93 | Very high | 94.1 | Very high | 65 Ų | 65 | 47 Ų | 47 | 34% | 0.34 | 25% | 0.25 | S | C | . | . | trans | -70.8 | 137.6 | 172.7 | -69.1 | 176.8 | 0 | 0 | 0 | 111.2 | Q404 S406 W444 | Q404-L408 HydrophobicContact CB-CB 4.48Å; Q404-L408 PolarHBondContact N-O 3.24Å; S406-L408 VanDerWaalsContact C-N 3.32Å; S406-L408 PolarHBondContact OG-N 3.15Å; L408-W444 HydrophobicContact CB-CE3 3.84Å; L408-W444 HydrophobicContact CB-CZ3 4.42Å | ||
| 409 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | -176.4 | -47.3 | 175.9 | 0 | 0 | 0 | 110.4 | I375 I400 I403 F411 W444 V445 I447 V450 | I375-L409 HydrophobicContact CB-CD2 4.47Å; I375-L409 HydrophobicContact CD1-CD2 4.05Å; I375-L409 HydrophobicContact CG2-CD2 3.89Å; I400-L409 HydrophobicContact CD1-CB 3.82Å; I400-L409 HydrophobicContact CD1-CD1 4.2Å; I400-L409 HydrophobicContact CG1-CB 4.49Å; I400-L409 HydrophobicContact CG1-CD1 4.47Å; I400-L409 HydrophobicContact CG2-CB 4.19Å; I403-L409 HydrophobicContact CB-CD2 4.3Å; I403-L409 HydrophobicContact CD1-CD2 4.04Å; I403-L409 HydrophobicContact CG1-CD2 3.81Å; I403-L409 HydrophobicContact CG2-CD2 3.91Å; L409-F411 PolarHBondContact O-N 2.86Å; L409-W444 WeakPolarHBondContact O-CA 3.35Å; L409-V445 HydrophobicContact CB-CG2 3.98Å; L409-V445 PolarHBondContact N-O 3.43Å; L409-V445 PolarHBondContact O-N 2.78Å; L409-I447 HydrophobicContact CD1-CD1 3.87Å; L409-V450 HydrophobicContact CD1-CG2 3.89Å |
| 410 | K | 96.5 | Very high | 94 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 19% | 0.191 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 97.8 | 174.8 | -170.7 | 178.3 | -175.5 | 170.6 | 0 | 110.1 | I400 T401 D402 Y442 W444 | I400-K410 WeakPolarHBondContact CA-O 3.24Å; T401-K410 PolarHBondContact N-O 3.42Å; T401-K410 PolarHBondContact OG1-O 3Å; T401-K410 VanDerWaalsContact OG1-O 3.11Å; D402-K410 HydrophobicContact CB-CB 3.67Å; D402-K410 HydrophobicContact CB-CD 3.81Å; D402-K410 HydrophobicContact CB-CG 4.42Å; D402-K410 PolarHBondContact O-N 3.43Å; K410-Y442 HydrophobicContact CD-CD2 4.18Å; K410-Y442 HydrophobicContact CD-CG 4.35Å; K410-Y442 VanDerWaalsContact CE-CG 3.5Å; K410-Y442 HydrophobicContact CG-CD2 3.66Å; K410-Y442 HydrophobicContact CG-CE2 4.36Å; K410-Y442 HydrophobicContact CG-CG 3.95Å; K410-W444 HydrophobicContact CB-CE3 4.09Å; K410-W444 HydrophobicContact CB-CH2 3.82Å; K410-W444 HydrophobicContact CB-CZ2 4.36Å; K410-W444 HydrophobicContact CB-CZ3 3.68Å; K410-W444 HydrophobicContact CD-CH2 4.41Å; K410-W444 HydrophobicContact CD-CZ2 4.44Å; K410-W444 HydrophobicContact CG-CH2 4.4Å; K410-W444 HydrophobicContact CG-CZ2 4.49Å |
| 411 | F | 97.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.1 | -176.6 | 177.5 | -108.5 | 0 | 0 | 0 | 111.6 | V391 V393 K396 L399 I400 L409 Q413 Y442 S443 V445 | V391-F411 HydrophobicContact CG2-CD2 4Å; V391-F411 HydrophobicContact CG2-CE2 3.95Å; V393-F411 HydrophobicContact CB-CD2 4.4Å; V393-F411 HydrophobicContact CB-CE1 4.21Å; V393-F411 HydrophobicContact CB-CE2 4.06Å; V393-F411 HydrophobicContact CB-CZ 3.97Å; V393-F411 HydrophobicContact CG2-CD2 3.72Å; V393-F411 HydrophobicContact CG2-CE2 3.66Å; V393-F411 HydrophobicContact CG2-CG 4.19Å; V393-F411 HydrophobicContact CG2-CZ 4.1Å; K396-F411 WeakPolarHBondContact O-CZ 3.27Å; L399-F411 CarbonylContact O-C 3.6Å; L399-F411 WeakPolarHBondContact O-CA 3.49Å; I400-F411 HydrophobicContact CD1-CB 4.14Å; I400-F411 HydrophobicContact CD1-CD2 4Å; L409-F411 PolarHBondContact O-N 2.86Å; F411-Q413 HydrophobicContact CE1-CB 3.73Å; F411-Q413 HydrophobicContact CE1-CG 3.96Å; F411-Q413 HydrophobicContact CZ-CB 4.13Å; F411-Q413 HydrophobicContact CZ-CG 4.1Å; F411-Y442 CarbonylContact O-C 3.48Å; F411-Y442 VanDerWaalsContact O-CA 3.22Å; F411-Y442 WeakPolarHBondContact O-CA 3.47Å; F411-Y442 WeakPolarHBondContact O-CB 3.42Å; F411-S443 PolarHBondContact N-O 2.89Å; F411-S443 PolarHBondContact O-N 3.37Å; F411-V445 HydrophobicContact CB-CG1 4.02Å; F411-V445 HydrophobicContact CB-CG2 3.8Å |
| 412 | R | 97.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 110.3 | 170.3 | -71.4 | -169.6 | 173.3 | 145.4 | -4.2 | 109.7 | G398 L399 T401 V438 | G398-R412 CarbonylContact C-O 3.57Å; G398-R412 WeakPolarHBondContact CA-O 3.31Å; L399-R412 PolarHBondContact N-O 2.85Å; L399-R412 PolarHBondContact O-N 2.94Å; T401-R412 HydrophobicContact CG2-CG 4.25Å; R412-V438 HydrophobicContact CB-CG1 3.73Å |
| 413 | Q | 97.2 | Very high | 93.7 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 148.5 | -177.8 | -159.6 | -164.6 | -59.2 | 0 | 0 | 111.8 | K396 P397 F411 C439 | K396-Q413 HydrophobicContact CB-CG 3.91Å; K396-Q413 HydrophobicContact CD-CG 4.48Å; P397-Q413 WeakPolarHBondContact O-CG 3.49Å; F411-Q413 HydrophobicContact CE1-CB 3.73Å; F411-Q413 HydrophobicContact CE1-CG 3.96Å; F411-Q413 HydrophobicContact CZ-CB 4.13Å; F411-Q413 HydrophobicContact CZ-CG 4.1Å; Q413-C439 WeakPolarHBondContact O-CB 3.27Å; Q413-C439 PolarHBondContact O-N 2.79Å |
| 414 | F | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.5 | 161.3 | -69.2 | -79.2 | 0 | 0 | 0 | 111 | V390 P397 L399 C435 V437 V438 L463 V465 | V390-F414 HydrophobicContact CG1-CE2 4.48Å; P397-F414 HydrophobicContact CB-CD2 4.04Å; P397-F414 HydrophobicContact CG-CB 4.47Å; P397-F414 HydrophobicContact CG-CD2 4.37Å; P397-F414 PolarHBondContact O-N 3.09Å; L399-F414 HydrophobicContact CD1-CZ 4.5Å; L399-F414 HydrophobicContact CD2-CE2 4.12Å; L399-F414 HydrophobicContact CD2-CZ 3.9Å; L399-F414 HydrophobicContact CG-CE2 4.3Å; L399-F414 HydrophobicContact CG-CZ 4.05Å; F414-C435 HydrophobicContact CB-CB 3.91Å; F414-C435 HydrophobicContact CD1-CB 3.62Å; F414-C435 HydrophobicContact CD2-CB 4.05Å; F414-C435 HydrophobicContact CE1-CB 4.11Å; F414-C435 HydrophobicContact CG-CB 3.59Å; F414-V437 CarbonylContact C-O 3.59Å; F414-V437 WeakPolarHBondContact CA-O 3.23Å; F414-V438 HydrophobicContact CD1-CB 4.48Å; F414-V438 HydrophobicContact CD1-CG2 3.68Å; F414-V438 HydrophobicContact CE1-CG2 3.3Å; F414-V438 HydrophobicContact CZ-CG2 4.02Å; F414-L463 HydrophobicContact CE1-CD1 3.66Å; F414-L463 HydrophobicContact CZ-CD1 3.76Å; F414-V465 HydrophobicContact CE2-CG2 4.27Å |
| 415 | T | 93.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 137.5 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 110 | V437 C439 | T415-V437 PolarHBondContact N-O 3.07Å; T415-V437 WeakPolarHBondContact OG1-CB 3.37Å; T415-V437 PolarHBondContact OG1-O 3.22Å; T415-C439 HydrophobicContact CG2-CB 3.85Å |
| 416 | D | 91.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 46.4 | 60.5 | 176.8 | -168.4 | 44.7 | 0 | 0 | 0 | 114.1 | Q418 | D416-Q418 PolarHBondContact O-N 3.25Å; D416-Q418 PolarHBondContact OD2-NE2 2.96Å |
| 417 | P | 95.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 26% | 0.26 | 27% | 0.268 | S | S | . | . | trans | -64.8 | 126.9 | 174.6 | 29.2 | -34.4 | 0 | 0 | 0 | 110.3 | P397 F433 | P397-P417 HydrophobicContact CG-CB 3.64Å; P397-P417 HydrophobicContact CG-CG 4.15Å; P417-F433 HydrophobicContact CB-CB 4.37Å; P417-F433 HydrophobicContact CB-CD1 3.9Å; P417-F433 HydrophobicContact CB-CG 4.43Å | ||
| 418 | Q | 96.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 165.5 | -175.4 | -65.9 | 177.3 | -1.2 | 0 | 0 | 111.9 | D416 Y420 K434 | D416-Q418 PolarHBondContact O-N 3.25Å; D416-Q418 PolarHBondContact OD2-NE2 2.96Å; Q418-Y420 PolarHBondContact O-N 2.69Å; Q418-K434 HydrophobicContact CB-CB 4.33Å; Q418-K434 PolarHBondContact N-O 2.94Å; Q418-K434 PolarHBondContact O-N 3.25Å |
| 419 | N | 97 | Very high | 95.3 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.9 | 165.2 | -76.6 | -63.4 | 0 | 0 | 0 | 110.7 | T422 P426 S427 T428 | N419-T422 HydrophobicContact CB-CG2 3.87Å; N419-P426 VanDerWaalsContact OD1-C 3.26Å; N419-P426 VanDerWaalsContact OD1-CA 3.29Å; N419-P426 WeakPolarHBondContact OD1-CA 3.42Å; N419-P426 WeakPolarHBondContact OD1-CB 3.23Å; N419-S427 PolarHBondContact OD1-N 3.4Å; N419-T428 WeakPolarHBondContact OD1-CG2 3.37Å; N419-T428 PolarHBondContact OD1-N 2.98Å; N419-T428 VanDerWaalsContact OD1-N 3.08Å; N419-T428 PolarHBondContact OD1-OG1 3.26Å |
| 420 | Y | 96.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.9 | -37.3 | 169 | 175.7 | -122.3 | 0 | 0 | 0 | 111.3 | P232 V233 Q236 Q418 S427 I432 V464 | P232-Y420 PolarHBondContact O-OH 3.46Å; V233-Y420 WeakPolarHBondContact CA-OH 3.45Å; V233-Y420 HydrophobicContact CG2-CE1 4.13Å; Q236-Y420 PolarHBondContact OE1-OH 3.01Å; Q418-Y420 PolarHBondContact O-N 2.69Å; Y420-S427 PolarHBondContact N-OG 3.45Å; Y420-I432 HydrophobicContact CD1-CG2 4.25Å; Y420-V464 HydrophobicContact CD1-CG1 3.9Å; Y420-V464 HydrophobicContact CD2-CG1 4.12Å; Y420-V464 HydrophobicContact CD2-CG2 3.55Å; Y420-V464 HydrophobicContact CE1-CG1 4.26Å; Y420-V464 HydrophobicContact CE2-CG1 4.49Å; Y420-V464 HydrophobicContact CE2-CG2 3.56Å; Y420-V464 HydrophobicContact CG-CG1 3.84Å; Y420-V464 HydrophobicContact CG-CG2 4.15Å |
| 421 | F | 94.7 | Very high | 95.2 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -141.4 | 157.9 | 167 | 59.2 | -99.9 | 0 | 0 | 0 | 109.8 | L252 D423 F425 S427 I430 I432 | L252-F421 HydrophobicContact CD1-CE2 4.45Å; L252-F421 HydrophobicContact CD1-CZ 3.86Å; L252-F421 HydrophobicContact CD2-CE2 4.36Å; L252-F421 HydrophobicContact CD2-CZ 4.46Å; F421-D423 WeakPolarHBondContact CD2-O 3.41Å; F421-F425 WeakPolarHBondContact CD2-O 3.5Å; F421-F425 HydrophobicContact CE2-CE2 4.42Å; F421-F425 WeakPolarHBondContact CE2-O 3.2Å; F421-S427 WeakPolarHBondContact O-CB 3.29Å; F421-S427 PolarHBondContact O-N 3.29Å; F421-I430 HydrophobicContact CZ-CD1 4.18Å; F421-I432 HydrophobicContact CE1-CD1 4.47Å | ||
| 422 | T | 95.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.613 | 29% | 0.286 | S | S | * | . | trans | -118.8 | -4.8 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | N419 F425 | N419-T422 HydrophobicContact CB-CG2 3.87Å; T422-F425 CarbonylContact C-O 3.56Å; T422-F425 VanDerWaalsContact C-O 3.29Å; T422-F425 CarbonylContact O-C 3.55Å; T422-F425 VanDerWaalsContact O-C 3.31Å; T422-F425 WeakPolarHBondContact O-CA 3.38Å; T422-F425 PolarHBondContact O-N 3.24Å | ||
| 423 | D | 91.1 | Very high | 95.2 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -120.7 | 124.4 | -179.4 | 174 | 60 | 0 | 0 | 0 | 108.9 | K248 F421 | K248-D423 PolarHBondContact NZ-O 2.76Å; F421-D423 WeakPolarHBondContact CD2-O 3.41Å |
| 424 | P | 90.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | S | Bend | cis | -80.5 | -13 | 7.1 | 31.3 | -33.6 | 0 | 0 | 0 | 115.5 | L252 | L252-P424 HydrophobicContact CD2-CG 3.75Š|
| 425 | F | 93.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -149.1 | 165.4 | 175.4 | 54.6 | -97.2 | 0 | 0 | 0 | 109.9 | L252 L256 F421 T422 S427 D429 I430 | L252-F425 HydrophobicContact CD1-CZ 4.16Å; L252-F425 HydrophobicContact CD2-CE1 4.35Å; L252-F425 HydrophobicContact CD2-CZ 4.38Å; L256-F425 HydrophobicContact CD1-CE1 3.93Å; L256-F425 HydrophobicContact CD1-CZ 3.95Å; L256-F425 HydrophobicContact CD2-CZ 3.96Å; L256-F425 HydrophobicContact CG-CZ 4.39Å; F421-F425 WeakPolarHBondContact CD2-O 3.5Å; F421-F425 HydrophobicContact CE2-CE2 4.42Å; F421-F425 WeakPolarHBondContact CE2-O 3.2Å; T422-F425 CarbonylContact C-O 3.56Å; T422-F425 VanDerWaalsContact C-O 3.29Å; T422-F425 CarbonylContact O-C 3.55Å; T422-F425 VanDerWaalsContact O-C 3.31Å; T422-F425 WeakPolarHBondContact O-CA 3.38Å; T422-F425 PolarHBondContact O-N 3.24Å; F425-S427 PolarHBondContact O-N 3.12Å; F425-D429 HydrophobicContact CD2-CB 4.38Å; F425-I430 HydrophobicContact CE2-CB 4.49Å; F425-I430 HydrophobicContact CE2-CD1 4Å; F425-I430 HydrophobicContact CE2-CG1 4.06Å; F425-I430 HydrophobicContact CE2-CG2 3.68Å; F425-I430 HydrophobicContact CZ-CD1 4.25Å; F425-I430 HydrophobicContact CZ-CG2 4.11Å |
| 426 | P | 96.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | trans | -55.1 | 120.9 | 174.9 | -26 | 36 | 0 | 0 | 0 | 112.5 | N419 T428 D429 | N419-P426 VanDerWaalsContact OD1-C 3.26Å; N419-P426 VanDerWaalsContact OD1-CA 3.29Å; N419-P426 WeakPolarHBondContact OD1-CA 3.42Å; N419-P426 WeakPolarHBondContact OD1-CB 3.23Å; P426-T428 PolarHBondContact O-N 2.81Å; P426-T428 VanDerWaalsContact O-N 3.08Å; P426-D429 WeakPolarHBondContact CD-OD2 3.47Å; P426-D429 VanDerWaalsContact O-CB 3.27Å; P426-D429 WeakPolarHBondContact O-CB 3.28Å; P426-D429 PolarHBondContact O-N 2.83Å | ||
| 427 | S | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -60.2 | -23.9 | -178.6 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | N419 Y420 F421 F425 D429 I430 G431 I432 | N419-S427 PolarHBondContact OD1-N 3.4Å; Y420-S427 PolarHBondContact N-OG 3.45Å; F421-S427 WeakPolarHBondContact O-CB 3.29Å; F421-S427 PolarHBondContact O-N 3.29Å; F425-S427 PolarHBondContact O-N 3.12Å; S427-D429 PolarHBondContact O-N 2.76Å; S427-I430 VanDerWaalsContact O-CG1 3.22Å; S427-I430 WeakPolarHBondContact O-CG1 3.39Å; S427-I430 PolarHBondContact O-N 3.41Å; S427-G431 PolarHBondContact O-N 3.35Å; S427-I432 CarbonylContact C-O 3.46Å; S427-I432 PolarHBondContact O-N 2.66Å; S427-I432 PolarHBondContact OG-O 3.26Å |
| 428 | T | 96.6 | Very high | 95 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.4 | -24.6 | 174.8 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | N419 P426 I430 G431 I432 F433 | N419-T428 WeakPolarHBondContact OD1-CG2 3.37Å; N419-T428 PolarHBondContact OD1-N 2.98Å; N419-T428 VanDerWaalsContact OD1-N 3.08Å; N419-T428 PolarHBondContact OD1-OG1 3.26Å; P426-T428 PolarHBondContact O-N 2.81Å; P426-T428 VanDerWaalsContact O-N 3.08Å; T428-I430 PolarHBondContact O-N 2.94Å; T428-G431 PolarHBondContact O-N 2.81Å; T428-I432 PolarHBondContact N-O 2.98Å; T428-F433 HydrophobicContact CG2-CD1 3.67Å; T428-F433 HydrophobicContact CG2-CE1 3.84Å |
| 429 | D | 94.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -65.7 | -25.2 | 179.1 | -63.3 | -7.6 | 0 | 0 | 0 | 111.9 | F262 F425 P426 S427 | F262-D429 VanDerWaalsContact CZ-O 3.22Å; F262-D429 WeakPolarHBondContact CZ-O 3.31Å; F425-D429 HydrophobicContact CD2-CB 4.38Å; P426-D429 WeakPolarHBondContact CD-OD2 3.47Å; P426-D429 VanDerWaalsContact O-CB 3.27Å; P426-D429 WeakPolarHBondContact O-CB 3.28Å; P426-D429 PolarHBondContact O-N 2.83Å; S427-D429 PolarHBondContact O-N 2.76Å |
| 430 | I | 94.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -107.8 | 17.5 | 174.2 | 62.4 | 169.7 | 0 | 0 | 0 | 112.6 | L252 Y255 L256 F262 F421 F425 S427 T428 I432 | L252-I430 HydrophobicContact CD1-CD1 3.97Å; Y255-I430 HydrophobicContact CD1-CD1 4.05Å; Y255-I430 HydrophobicContact CE1-CD1 3.93Å; L256-I430 HydrophobicContact CD2-CG2 3.94Å; F262-I430 HydrophobicContact CD2-CB 4.5Å; F262-I430 HydrophobicContact CD2-CG2 3.9Å; F262-I430 HydrophobicContact CE2-CB 4.28Å; F262-I430 HydrophobicContact CE2-CG2 3.9Å; F421-I430 HydrophobicContact CZ-CD1 4.18Å; F425-I430 HydrophobicContact CE2-CB 4.49Å; F425-I430 HydrophobicContact CE2-CD1 4Å; F425-I430 HydrophobicContact CE2-CG1 4.06Å; F425-I430 HydrophobicContact CE2-CG2 3.68Å; F425-I430 HydrophobicContact CZ-CD1 4.25Å; F425-I430 HydrophobicContact CZ-CG2 4.11Å; S427-I430 VanDerWaalsContact O-CG1 3.22Å; S427-I430 WeakPolarHBondContact O-CG1 3.39Å; S427-I430 PolarHBondContact O-N 3.41Å; T428-I430 PolarHBondContact O-N 2.94Å; I430-I432 VanDerWaalsContact C-N 3.32Å; I430-I432 HydrophobicContact CD1-CD1 3.66Å; I430-I432 HydrophobicContact CD1-CG1 4.2Å; I430-I432 HydrophobicContact CG1-CB 4.5Å; I430-I432 HydrophobicContact CG1-CD1 4.1Å; I430-I432 HydrophobicContact CG1-CG1 4.08Å; I430-I432 PolarHBondContact O-N 2.81Å |
| 431 | G | 95.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 16.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S427 T428 F433 P467 | S427-G431 PolarHBondContact O-N 3.35Å; T428-G431 PolarHBondContact O-N 2.81Å; G431-F433 VanDerWaalsContact C-CE2 3.4Å; G431-F433 WeakPolarHBondContact O-CD2 3.38Å; G431-F433 WeakPolarHBondContact O-CE2 3.4Å; G431-P467 WeakPolarHBondContact O-CD 3.46Å; G431-P467 WeakPolarHBondContact O-CG 3.15Å |
| 432 | I | 97.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | trans | -93.6 | 122.5 | 175.4 | -61.6 | 178.8 | 0 | 0 | 0 | 109.6 | Y255 Y420 F421 S427 T428 I430 V464 V465 V466 | Y255-I432 HydrophobicContact CE1-CD1 4.24Å; Y420-I432 HydrophobicContact CD1-CG2 4.25Å; F421-I432 HydrophobicContact CE1-CD1 4.47Å; S427-I432 CarbonylContact C-O 3.46Å; S427-I432 PolarHBondContact O-N 2.66Å; S427-I432 PolarHBondContact OG-O 3.26Å; T428-I432 PolarHBondContact N-O 2.98Å; I430-I432 VanDerWaalsContact C-N 3.32Å; I430-I432 HydrophobicContact CD1-CD1 3.66Å; I430-I432 HydrophobicContact CD1-CG1 4.2Å; I430-I432 HydrophobicContact CG1-CB 4.5Å; I430-I432 HydrophobicContact CG1-CD1 4.1Å; I430-I432 HydrophobicContact CG1-CG1 4.08Å; I430-I432 PolarHBondContact O-N 2.81Å; I432-V464 HydrophobicContact CG2-CG1 4.13Å; I432-V465 WeakPolarHBondContact CA-O 3.29Å; I432-V466 HydrophobicContact CD1-CG1 4.14Å; I432-V466 HydrophobicContact CG1-CG1 4.16Å; I432-V466 HydrophobicContact CG2-CG2 4.35Å | ||
| 433 | F | 97.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.4 | -173.8 | -53.9 | -87.4 | 0 | 0 | 0 | 112.1 | V392 P397 P417 T428 G431 V464 V465 | V392-F433 HydrophobicContact CG1-CE2 4.47Å; V392-F433 HydrophobicContact CG2-CD2 4.44Å; V392-F433 HydrophobicContact CG2-CE2 3.8Å; P397-F433 HydrophobicContact CB-CD2 3.87Å; P397-F433 HydrophobicContact CB-CE2 4.29Å; P397-F433 HydrophobicContact CB-CG 4.2Å; P397-F433 HydrophobicContact CG-CB 4.06Å; P397-F433 HydrophobicContact CG-CD1 4.02Å; P397-F433 HydrophobicContact CG-CD2 3.88Å; P397-F433 HydrophobicContact CG-CE1 4.44Å; P397-F433 HydrophobicContact CG-CE2 4.31Å; P397-F433 HydrophobicContact CG-CG 3.72Å; P417-F433 HydrophobicContact CB-CB 4.37Å; P417-F433 HydrophobicContact CB-CD1 3.9Å; P417-F433 HydrophobicContact CB-CG 4.43Å; T428-F433 HydrophobicContact CG2-CD1 3.67Å; T428-F433 HydrophobicContact CG2-CE1 3.84Å; G431-F433 VanDerWaalsContact C-CE2 3.4Å; G431-F433 WeakPolarHBondContact O-CD2 3.38Å; G431-F433 WeakPolarHBondContact O-CE2 3.4Å; F433-V464 CarbonylContact O-C 3.52Å; F433-V464 WeakPolarHBondContact O-CA 3.41Å; F433-V465 HydrophobicContact CB-CB 4.35Å; F433-V465 PolarHBondContact N-O 3.35Å; F433-V465 PolarHBondContact O-N 3Å |
| 434 | K | 97.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.2 | 160.3 | 177.6 | -176.5 | 174.2 | -160.7 | 0 | 108.1 | Q418 H462 L463 | Q418-K434 HydrophobicContact CB-CB 4.33Å; Q418-K434 PolarHBondContact N-O 2.94Å; Q418-K434 PolarHBondContact O-N 3.25Å; K434-H462 HydrophobicContact CG-CB 4.14Å; K434-L463 WeakPolarHBondContact CA-O 3.32Å |
| 435 | C | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.3 | -176.2 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | F414 H462 L463 V465 | F414-C435 HydrophobicContact CB-CB 3.91Å; F414-C435 HydrophobicContact CD1-CB 3.62Å; F414-C435 HydrophobicContact CD2-CB 4.05Å; F414-C435 HydrophobicContact CE1-CB 4.11Å; F414-C435 HydrophobicContact CG-CB 3.59Å; C435-H462 CarbonylContact O-C 3.52Å; C435-H462 WeakPolarHBondContact O-CA 3.32Å; C435-H462 WeakPolarHBondContact O-CB 3.34Å; C435-L463 HydrophobicContact CB-CB 4.49Å; C435-L463 PolarHBondContact N-O 2.91Å; C435-L463 PolarHBondContact O-N 3.33Å; C435-V465 HydrophobicContact CB-CG2 4.41Å |
| 436 | S | 92.7 | Very high | 95 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | trans | -126.5 | -39 | -177.2 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 437 | V | 91.2 | Very high | 94.7 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 52% | 0.521 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.5 | -173 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | F414 T415 | F414-V437 CarbonylContact C-O 3.59Å; F414-V437 WeakPolarHBondContact CA-O 3.23Å; T415-V437 PolarHBondContact N-O 3.07Å; T415-V437 WeakPolarHBondContact OG1-CB 3.37Å; T415-V437 PolarHBondContact OG1-O 3.22Å |
| 438 | V | 92.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.1 | 172.8 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | L399 R412 F414 | L399-V438 HydrophobicContact CD1-CG1 4.2Å; L399-V438 HydrophobicContact CD1-CG2 3.66Å; L399-V438 HydrophobicContact CG-CG2 4.3Å; R412-V438 HydrophobicContact CB-CG1 3.73Å; F414-V438 HydrophobicContact CD1-CB 4.48Å; F414-V438 HydrophobicContact CD1-CG2 3.68Å; F414-V438 HydrophobicContact CE1-CG2 3.3Å; F414-V438 HydrophobicContact CZ-CG2 4.02Å |
| 439 | C | 92 | Very high | 94.4 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | trans | -63.8 | 139.8 | 176 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | Q413 T415 A441 | Q413-C439 WeakPolarHBondContact O-CB 3.27Å; Q413-C439 PolarHBondContact O-N 2.79Å; T415-C439 HydrophobicContact CG2-CB 3.85Å; C439-A441 VanDerWaalsContact C-N 3.34Å | ||
| 440 | S | 91.5 | Very high | 94.4 | Very high | 109 Ų | 109 | 50 Ų | 50 | 76% | 0.762 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -69.8 | -33.9 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 441 | A | 93.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | trans | -67.1 | 149.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | C439 | C439-A441 VanDerWaalsContact C-N 3.34Š| ||
| 442 | Y | 95.3 | Very high | 94.5 | Very high | 121 Ų | 121 | 51.9 Ų | 51.9 | 48% | 0.475 | 29% | 0.293 | S | S | . | . | trans | -132.6 | 159.3 | 178.5 | 67.1 | -88.5 | 0 | 0 | 0 | 110.4 | K410 F411 W444 | K410-Y442 HydrophobicContact CD-CD2 4.18Å; K410-Y442 HydrophobicContact CD-CG 4.35Å; K410-Y442 VanDerWaalsContact CE-CG 3.5Å; K410-Y442 HydrophobicContact CG-CD2 3.66Å; K410-Y442 HydrophobicContact CG-CE2 4.36Å; K410-Y442 HydrophobicContact CG-CG 3.95Å; F411-Y442 CarbonylContact O-C 3.48Å; F411-Y442 VanDerWaalsContact O-CA 3.22Å; F411-Y442 WeakPolarHBondContact O-CA 3.47Å; F411-Y442 WeakPolarHBondContact O-CB 3.42Å; Y442-W444 AromaticContact CE2-NE1 3.7Å | ||
| 443 | S | 96.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153 | 166.5 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | F411 | F411-S443 PolarHBondContact N-O 2.89Å; F411-S443 PolarHBondContact O-N 3.37Å |
| 444 | W | 96.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.2 | 166.4 | -69.1 | 104.5 | 0 | 0 | 0 | 108.6 | D402 Q404 L408 L409 K410 Y442 | D402-W444 HydrophobicContact CB-CH2 4.41Å; Q404-W444 HydrophobicContact CG-CE3 4.46Å; Q404-W444 HydrophobicContact CG-CH2 3.59Å; Q404-W444 HydrophobicContact CG-CZ2 4.47Å; Q404-W444 HydrophobicContact CG-CZ3 3.58Å; L408-W444 HydrophobicContact CB-CE3 3.84Å; L408-W444 HydrophobicContact CB-CZ3 4.42Å; L409-W444 WeakPolarHBondContact O-CA 3.35Å; K410-W444 HydrophobicContact CB-CE3 4.09Å; K410-W444 HydrophobicContact CB-CH2 3.82Å; K410-W444 HydrophobicContact CB-CZ2 4.36Å; K410-W444 HydrophobicContact CB-CZ3 3.68Å; K410-W444 HydrophobicContact CD-CH2 4.41Å; K410-W444 HydrophobicContact CD-CZ2 4.44Å; K410-W444 HydrophobicContact CG-CH2 4.4Å; K410-W444 HydrophobicContact CG-CZ2 4.49Å; Y442-W444 AromaticContact CE2-NE1 3.7Å |
| 445 | V | 96.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.9 | -178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | V393 L409 F411 | V393-V445 HydrophobicContact CG1-CB 4.35Å; V393-V445 HydrophobicContact CG1-CG1 4.14Å; V393-V445 HydrophobicContact CG1-CG2 4.49Å; V393-V445 HydrophobicContact CG2-CG2 4.38Å; L409-V445 HydrophobicContact CB-CG2 3.98Å; L409-V445 PolarHBondContact N-O 3.43Å; L409-V445 PolarHBondContact O-N 2.78Å; F411-V445 HydrophobicContact CB-CG1 4.02Å; F411-V445 HydrophobicContact CB-CG2 3.8Å |
| 446 | S | 93.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | trans | -78.1 | 150 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 110 | H448 D449 | S446-H448 PolarHBondContact O-N 2.67Å; S446-H448 VanDerWaalsContact O-N 3.13Å; S446-H448 PolarHBondContact OG-CD2 2.99Å; S446-H448 PolarHBondContact OG-N 3.44Å; S446-D449 WeakPolarHBondContact CB-OD2 3.45Å; S446-D449 PolarHBondContact N-OD2 3.15Å; S446-D449 VanDerWaalsContact N-OD2 3.07Å; S446-D449 WeakPolarHBondContact O-CB 3.27Å; S446-D449 PolarHBondContact O-N 2.86Å | ||
| 447 | I | 91.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.3 | 169.4 | -169.2 | 63.8 | 0 | 0 | 0 | 112.2 | I365 I375 F377 I382 L409 D449 V450 | I365-I447 HydrophobicContact CG2-CB 4.31Å; I365-I447 HydrophobicContact CG2-CG1 3.69Å; I365-I447 HydrophobicContact CG2-CG2 3.67Å; I375-I447 HydrophobicContact CD1-CB 4.01Å; I375-I447 HydrophobicContact CD1-CD1 4.18Å; I375-I447 HydrophobicContact CD1-CG1 4.12Å; I375-I447 HydrophobicContact CG1-CD1 4.42Å; I375-I447 HydrophobicContact CG2-CD1 3.87Å; F377-I447 HydrophobicContact CB-CD1 4.17Å; F377-I447 HydrophobicContact CD2-CD1 3.58Å; F377-I447 HydrophobicContact CD2-CG1 3.94Å; F377-I447 HydrophobicContact CE2-CD1 4.37Å; F377-I447 HydrophobicContact CG-CD1 4.22Å; I382-I447 HydrophobicContact CD1-CD1 4.08Å; L409-I447 HydrophobicContact CD1-CD1 3.87Å; I447-D449 VanDerWaalsContact C-N 3.27Å; I447-D449 PolarHBondContact O-N 2.78Å; I447-V450 HydrophobicContact CD1-CG2 4.29Å; I447-V450 WeakPolarHBondContact O-CB 3.33Å; I447-V450 PolarHBondContact O-N 2.84Å |
| 448 | H | 91.6 | Very high | 94.5 | Very high | 138 Ų | 138 | 44.9 Ų | 44.9 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -73 | -17.5 | 176.9 | -62.1 | -68.1 | 0 | 0 | 0 | 113.6 | S446 V450 | S446-H448 PolarHBondContact O-N 2.67Å; S446-H448 VanDerWaalsContact O-N 3.13Å; S446-H448 PolarHBondContact OG-CD2 2.99Å; S446-H448 PolarHBondContact OG-N 3.44Å; H448-V450 VanDerWaalsContact C-N 3.32Å |
| 449 | D | 94.2 | Very high | 94.4 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -84 | -9 | 173.9 | -62 | -56.4 | 0 | 0 | 0 | 112.4 | V393 K394 S446 I447 D451 | V393-D449 HydrophobicContact CG1-CB 4.01Å; K394-D449 WeakPolarHBondContact CE-OD1 3.26Å; K394-D449 IonicContact NZ-OD1 3.06Å; K394-D449 PolarHBondContact NZ-OD1 3.12Å; K394-D449 IonicContact NZ-OD2 3.22Å; S446-D449 WeakPolarHBondContact CB-OD2 3.45Å; S446-D449 PolarHBondContact N-OD2 3.15Å; S446-D449 VanDerWaalsContact N-OD2 3.07Å; S446-D449 WeakPolarHBondContact O-CB 3.27Å; S446-D449 PolarHBondContact O-N 2.86Å; I447-D449 VanDerWaalsContact C-N 3.27Å; I447-D449 PolarHBondContact O-N 2.78Å; D449-D451 PolarHBondContact O-N 3.07Å |
| 450 | V | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | F377 I382 V391 V393 L409 I447 H448 | F377-V450 HydrophobicContact CE1-CG1 4.22Å; F377-V450 HydrophobicContact CE2-CB 3.81Å; F377-V450 HydrophobicContact CE2-CG1 3.85Å; F377-V450 HydrophobicContact CZ-CB 4.08Å; F377-V450 HydrophobicContact CZ-CG1 3.67Å; F377-V450 WeakPolarHBondContact CZ-O 3.38Å; I382-V450 HydrophobicContact CD1-CG1 4.02Å; V391-V450 HydrophobicContact CB-CG1 4.06Å; V391-V450 HydrophobicContact CG1-CG1 4.18Å; V393-V450 HydrophobicContact CG2-CG2 4.2Å; L409-V450 HydrophobicContact CD1-CG2 3.89Å; I447-V450 HydrophobicContact CD1-CG2 4.29Å; I447-V450 WeakPolarHBondContact O-CB 3.33Å; I447-V450 PolarHBondContact O-N 2.84Å; H448-V450 VanDerWaalsContact C-N 3.32Å |
| 451 | D | 95.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -47.2 | -178.7 | -61.4 | -43.7 | 0 | 0 | 0 | 111.2 | R378 V392 K394 G395 D449 | R378-D451 PolarHBondContact NH2-O 3.5Å; V392-D451 HydrophobicContact CB-CB 4.38Å; V392-D451 HydrophobicContact CG1-CB 4.31Å; V392-D451 PolarHBondContact O-N 2.99Å; K394-D451 WeakPolarHBondContact CA-OD2 3.36Å; K394-D451 PolarHBondContact N-OD2 3.42Å; G395-D451 PolarHBondContact N-OD2 3.41Å; D449-D451 PolarHBondContact O-N 3.07Å |
| 452 | C | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.054 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 161.2 | -180 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | V391 V392 T471 V472 | V391-C452 WeakPolarHBondContact CA-O 3.45Å; V392-C452 PolarHBondContact N-O 2.69Å; C452-T471 WeakPolarHBondContact CA-O 3.5Å; C452-T471 WeakPolarHBondContact CB-O 3.41Å; C452-V472 HydrophobicContact CB-CB 4.5Å; C452-V472 HydrophobicContact CB-CG2 3.86Å |
| 453 | K | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 149.6 | 166.4 | -175.4 | -179.6 | 176.7 | -172.8 | 0 | 109.2 | D204 F377 S380 K381 I382 D388 L468 T471 | D204-K453 WeakPolarHBondContact OD2-CE 3.41Å; D204-K453 IonicContact OD2-NZ 3.69Å; D204-K453 PolarHBondContact OD2-NZ 3.14Å; F377-K453 HydrophobicContact CD1-CB 4.45Å; S380-K453 WeakPolarHBondContact OG-CD 3.44Å; S380-K453 PolarHBondContact OG-NZ 3.38Å; K381-K453 WeakPolarHBondContact O-CE 3.34Å; K381-K453 PolarHBondContact O-NZ 3.31Å; I382-K453 HydrophobicContact CG1-CD 4.25Å; I382-K453 HydrophobicContact CG1-CG 4.43Å; D388-K453 WeakPolarHBondContact O-CE 3Å; D388-K453 WeakPolarHBondContact OD1-CE 3.29Å; D388-K453 IonicContact OD1-NZ 2.96Å; D388-K453 PolarHBondContact OD1-NZ 3.15Å; K453-L468 HydrophobicContact CB-CD1 4.29Å; K453-L468 HydrophobicContact CD-CD1 3.95Å; K453-L468 HydrophobicContact CG-CD1 3.96Å; K453-L468 WeakPolarHBondContact O-CB 3.48Å; K453-L468 WeakPolarHBondContact O-CG 3.48Å; K453-L468 PolarHBondContact O-N 2.9Å; K453-T471 HydrophobicContact CB-CG2 4.1Å; K453-T471 PolarHBondContact N-OG1 2.87Å; K453-T471 PolarHBondContact O-OG1 3.12Å |
| 454 | C | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158 | -175.3 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | V390 V465 V466 | V390-C454 HydrophobicContact CB-CB 4.3Å; V390-C454 HydrophobicContact CG1-CB 3.99Å; V390-C454 PolarHBondContact O-N 3.38Å; C454-V465 HydrophobicContact CB-CG1 3.48Å; C454-V465 VanDerWaalsContact CB-CG1 3.48Å; C454-V466 CarbonylContact C-O 3.29Å; C454-V466 VanDerWaalsContact CA-O 3.32Å; C454-V466 WeakPolarHBondContact CA-O 3.08Å |
| 455 | M | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.6 | 160.1 | 179.8 | 166.2 | -169.5 | 0 | 0 | 108.9 | P202 F205 L225 L230 I457 V465 V466 L468 | P202-M455 HydrophobicContact CG-CB 4.08Å; P202-M455 HydrophobicContact CG-CG 4.4Å; F205-M455 HydrophobicContact CE2-SD 4.48Å; L225-M455 HydrophobicContact CD1-SD 4.07Å; L230-M455 HydrophobicContact CD2-CE 3.27Å; L230-M455 HydrophobicContact CD2-SD 4.12Å; L230-M455 HydrophobicContact CG-CE 4.43Å; M455-I457 HydrophobicContact CE-CG1 4.13Å; M455-I457 HydrophobicContact CG-CG1 4.14Å; M455-I457 HydrophobicContact SD-CG1 4.46Å; M455-V465 WeakPolarHBondContact O-CA 3.43Å; M455-V466 PolarHBondContact N-O 3.17Å; M455-V466 PolarHBondContact O-N 3Å; M455-L468 HydrophobicContact CB-CD2 3.96Å |
| 456 | S | 96 | Very high | 94 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121 | 171.1 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | S200 H386 V464 | S200-S456 VanDerWaalsContact CB-O 3.24Å; S200-S456 WeakPolarHBondContact CB-O 3.28Å; H386-S456 PolarHBondContact CE1-OG 3.27Å; S456-V464 WeakPolarHBondContact CA-O 3.45Å; S456-V464 CarbonylContact C-O 3.59Å |
| 457 | I | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.7 | 178.6 | -61.4 | 167.7 | 0 | 0 | 0 | 108.9 | Y229 L230 V233 I234 M455 C459 L463 V464 | Y229-I457 WeakPolarHBondContact O-CD1 3.41Å; L230-I457 HydrophobicContact CD2-CD1 4.05Å; L230-I457 HydrophobicContact CD2-CG1 4.34Å; V233-I457 HydrophobicContact CB-CD1 4.02Å; V233-I457 HydrophobicContact CB-CG2 4.14Å; V233-I457 HydrophobicContact CG1-CB 4.14Å; V233-I457 HydrophobicContact CG1-CG2 3.65Å; V233-I457 HydrophobicContact CG2-CD1 3.8Å; I234-I457 HydrophobicContact CG2-CG2 4.19Å; M455-I457 HydrophobicContact CE-CG1 4.13Å; M455-I457 HydrophobicContact CG-CG1 4.14Å; M455-I457 HydrophobicContact SD-CG1 4.46Å; I457-C459 PolarHBondContact O-N 3.36Å; I457-L463 WeakPolarHBondContact O-CA 3.27Å; I457-V464 PolarHBondContact N-O 3.2Å; I457-V464 PolarHBondContact O-N 3.2Å |
| 458 | N | 92.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 52% | 0.524 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114.3 | 178.7 | -72.9 | -62.6 | 0 | 0 | 0 | 111.5 | S200 L463 | S200-N458 PolarHBondContact OG-ND2 2.82Å; S200-N458 VanDerWaalsContact OG-ND2 3.1Å; N458-L463 HydrophobicContact CB-CD2 4.39Å; N458-L463 WeakPolarHBondContact OD1-CD2 3.27Å |
| 459 | C | 90.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 29.3 Ų | 29.3 | 27% | 0.27 | 16% | 0.163 | S | C | . | . | trans | -99.3 | 172.8 | 164 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | V233 I457 N461 H462 | V233-C459 VanDerWaalsContact CG1-SG 3.58Å; I457-C459 PolarHBondContact O-N 3.36Å; C459-N461 VanDerWaalsContact C-N 3.32Å; C459-N461 PolarHBondContact O-N 3Å; C459-H462 PolarHBondContact N-O 3.29Å; C459-H462 WeakPolarHBondContact CB-O 3.25Å; C459-H462 VanDerWaalsContact CB-O 3.22Å; C459-H462 VanDerWaalsContact CA-O 3.31Å; C459-H462 CarbonylContact C-O 3.59Å; C459-H462 WeakPolarHBondContact CA-O 3.26Å | ||
| 460 | V | 84.7 | Confident | 94.5 | Very high | 137 Ų | 137 | 30.5 Ų | 30.5 | 83% | 0.83 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -57.9 | -41.4 | -174.2 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 461 | N | 87.6 | Confident | 94.4 | Very high | 137 Ų | 137 | 30.5 Ų | 30.5 | 73% | 0.733 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -123.9 | 3 | -172.9 | -63.9 | -24.9 | 0 | 0 | 0 | 113.8 | C459 | C459-N461 VanDerWaalsContact C-N 3.32Å; C459-N461 PolarHBondContact O-N 3Å |
| 462 | H | 93.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | trans | -160 | 169.4 | -175.6 | 62.8 | -87 | 0 | 0 | 0 | 110.5 | K434 C435 C459 | K434-H462 HydrophobicContact CG-CB 4.14Å; C435-H462 CarbonylContact O-C 3.52Å; C435-H462 WeakPolarHBondContact O-CA 3.32Å; C435-H462 WeakPolarHBondContact O-CB 3.34Å; C459-H462 PolarHBondContact N-O 3.29Å; C459-H462 WeakPolarHBondContact CB-O 3.25Å; C459-H462 VanDerWaalsContact CB-O 3.22Å; C459-H462 VanDerWaalsContact CA-O 3.31Å; C459-H462 CarbonylContact C-O 3.59Å; C459-H462 WeakPolarHBondContact CA-O 3.26Å | ||
| 463 | L | 94.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142 | 169.5 | -63 | 173.4 | 0 | 0 | 0 | 109.2 | F414 K434 C435 I457 N458 | F414-L463 HydrophobicContact CE1-CD1 3.66Å; F414-L463 HydrophobicContact CZ-CD1 3.76Å; K434-L463 WeakPolarHBondContact CA-O 3.32Å; C435-L463 HydrophobicContact CB-CB 4.49Å; C435-L463 PolarHBondContact N-O 2.91Å; C435-L463 PolarHBondContact O-N 3.33Å; I457-L463 WeakPolarHBondContact O-CA 3.27Å; N458-L463 HydrophobicContact CB-CD2 4.39Å; N458-L463 WeakPolarHBondContact OD1-CD2 3.27Å |
| 464 | V | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.9 | 163.9 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | V233 Y420 I432 F433 S456 I457 V466 | V233-V464 HydrophobicContact CG1-CB 4.06Å; V233-V464 HydrophobicContact CG1-CG2 3.75Å; V233-V464 HydrophobicContact CG2-CB 3.99Å; V233-V464 HydrophobicContact CG2-CG1 3.76Å; V233-V464 HydrophobicContact CG2-CG2 4.31Å; Y420-V464 HydrophobicContact CD1-CG1 3.9Å; Y420-V464 HydrophobicContact CD2-CG1 4.12Å; Y420-V464 HydrophobicContact CD2-CG2 3.55Å; Y420-V464 HydrophobicContact CE1-CG1 4.26Å; Y420-V464 HydrophobicContact CE2-CG1 4.49Å; Y420-V464 HydrophobicContact CE2-CG2 3.56Å; Y420-V464 HydrophobicContact CG-CG1 3.84Å; Y420-V464 HydrophobicContact CG-CG2 4.15Å; I432-V464 HydrophobicContact CG2-CG1 4.13Å; F433-V464 CarbonylContact O-C 3.52Å; F433-V464 WeakPolarHBondContact O-CA 3.41Å; S456-V464 WeakPolarHBondContact CA-O 3.45Å; S456-V464 CarbonylContact C-O 3.59Å; I457-V464 PolarHBondContact N-O 3.2Å; I457-V464 PolarHBondContact O-N 3.2Å; V464-V466 HydrophobicContact CG1-CG2 3.99Å |
| 465 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.4 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | V390 P397 F414 I432 F433 C435 C454 M455 | V390-V465 HydrophobicContact CG1-CG1 3.93Å; V390-V465 HydrophobicContact CG1-CG2 4.31Å; P397-V465 HydrophobicContact CB-CG1 4.38Å; F414-V465 HydrophobicContact CE2-CG2 4.27Å; I432-V465 WeakPolarHBondContact CA-O 3.29Å; F433-V465 HydrophobicContact CB-CB 4.35Å; F433-V465 PolarHBondContact N-O 3.35Å; F433-V465 PolarHBondContact O-N 3Å; C435-V465 HydrophobicContact CB-CG2 4.41Å; C454-V465 HydrophobicContact CB-CG1 3.48Å; C454-V465 VanDerWaalsContact CB-CG1 3.48Å; M455-V465 WeakPolarHBondContact O-CA 3.43Å |
| 466 | V | 97.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.8 | -177.1 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | Y229 Y255 I432 C454 M455 V464 | Y229-V466 HydrophobicContact CD1-CB 4.17Å; Y229-V466 HydrophobicContact CD1-CG1 3.61Å; Y229-V466 HydrophobicContact CE1-CG1 3.98Å; Y255-V466 HydrophobicContact CE2-CG1 3.78Å; I432-V466 HydrophobicContact CD1-CG1 4.14Å; I432-V466 HydrophobicContact CG1-CG1 4.16Å; I432-V466 HydrophobicContact CG2-CG2 4.35Å; C454-V466 CarbonylContact C-O 3.29Å; C454-V466 VanDerWaalsContact CA-O 3.32Å; C454-V466 WeakPolarHBondContact CA-O 3.08Å; M455-V466 PolarHBondContact N-O 3.17Å; M455-V466 PolarHBondContact O-N 3Å; V464-V466 HydrophobicContact CG1-CG2 3.99Å |
| 467 | P | 97.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 134.9 | 177.3 | -27.9 | 36.4 | 0 | 0 | 0 | 113.2 | Y229 Y255 G431 L469 V472 | Y229-P467 WeakPolarHBondContact CE1-O 3.46Å; Y255-P467 WeakPolarHBondContact OH-CD 2.94Å; Y255-P467 PolarHBondContact OH-O 3.28Å; G431-P467 WeakPolarHBondContact O-CD 3.46Å; G431-P467 WeakPolarHBondContact O-CG 3.15Å; P467-L469 PolarHBondContact O-N 2.88Å; P467-V472 HydrophobicContact CB-CG2 3.82Å |
| 468 | L | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -75.9 | 110.4 | 170.4 | -57.5 | -174.5 | 0 | 0 | 0 | 108.5 | P202 D204 F205 Y229 K453 M455 H470 T471 V472 | P202-L468 HydrophobicContact CB-CD1 4.08Å; P202-L468 HydrophobicContact CG-CD1 4.11Å; P202-L468 HydrophobicContact CG-CD2 4.39Å; D204-L468 HydrophobicContact CB-CD1 4.17Å; D204-L468 WeakPolarHBondContact OD2-CD1 3.44Å; F205-L468 HydrophobicContact CE2-CD2 3.6Å; F205-L468 HydrophobicContact CZ-CD2 3.79Å; Y229-L468 HydrophobicContact CE1-CD2 4.12Å; K453-L468 HydrophobicContact CB-CD1 4.29Å; K453-L468 HydrophobicContact CD-CD1 3.95Å; K453-L468 HydrophobicContact CG-CD1 3.96Å; K453-L468 WeakPolarHBondContact O-CB 3.48Å; K453-L468 WeakPolarHBondContact O-CG 3.48Å; K453-L468 PolarHBondContact O-N 2.9Å; M455-L468 HydrophobicContact CB-CD2 3.96Å; L468-H470 PolarHBondContact O-N 3.17Å; L468-H470 VanDerWaalsContact O-N 3.15Å; L468-T471 HydrophobicContact CD1-CG2 4.49Å; L468-T471 PolarHBondContact O-OG1 2.96Å; L468-T471 PolarHBondContact O-N 3.26Å; L468-T471 WeakPolarHBondContact O-CB 3.38Å; L468-T471 WeakPolarHBondContact O-CA 3.43Å; L468-T471 CarbonylContact O-C 3.55Å; L468-T471 HydrophobicContact CB-CG2 3.96Å; L468-V472 PolarHBondContact O-N 3.17Å | ||
| 469 | L | 95.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -54.4 | -38.1 | -170.4 | -68.3 | 167.3 | 0 | 0 | 0 | 113.1 | L228 Y229 Y255 A258 H259 P467 T471 V472 | L228-L469 HydrophobicContact CD1-CD1 4.1Å; Y229-L469 PolarHBondContact OH-N 3.08Å; Y255-L469 HydrophobicContact CD1-CD2 4.36Å; Y255-L469 HydrophobicContact CD2-CD1 4.03Å; Y255-L469 HydrophobicContact CD2-CD2 4.43Å; Y255-L469 HydrophobicContact CD2-CG 4.41Å; Y255-L469 HydrophobicContact CE1-CD2 3.89Å; Y255-L469 HydrophobicContact CE2-CD1 4.11Å; Y255-L469 HydrophobicContact CE2-CD2 3.96Å; Y255-L469 HydrophobicContact CE2-CG 4Å; Y255-L469 HydrophobicContact CG-CD1 4.49Å; A258-L469 HydrophobicContact CB-CD1 3.69Å; H259-L469 HydrophobicContact CB-CD2 3.97Å; H259-L469 VanDerWaalsContact CD2-CD2 3.48Å; H259-L469 WeakPolarHBondContact CD2-CD2 3.44Å; P467-L469 PolarHBondContact O-N 2.88Å; L469-T471 PolarHBondContact O-N 3.35Å; L469-V472 PolarHBondContact O-N 3.16Å |
| 470 | H | 91.7 | Very high | 92.4 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 32% | 0.324 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -72.3 | -5.5 | 177.7 | 64.5 | -83.4 | 0 | 0 | 0 | 113.9 | D204 L468 | D204-H470 IonicContact OD1-CD2 3.65Å; D204-H470 IonicContact OD1-CE1 2.92Å; D204-H470 IonicContact OD1-NE2 3.98Å; D204-H470 PolarHBondContact OD1-NE2 2.98Å; L468-H470 PolarHBondContact O-N 3.17Å; L468-H470 VanDerWaalsContact O-N 3.15Å |
| 471 | T | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -112.5 | 1.4 | 174.6 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | R378 C452 K453 L468 L469 | R378-T471 VanDerWaalsContact CZ-O 3.26Å; R378-T471 VanDerWaalsContact NH1-C 3.32Å; R378-T471 PolarHBondContact NH1-O 2.66Å; C452-T471 WeakPolarHBondContact CA-O 3.5Å; C452-T471 WeakPolarHBondContact CB-O 3.41Å; K453-T471 HydrophobicContact CB-CG2 4.1Å; K453-T471 PolarHBondContact N-OG1 2.87Å; K453-T471 PolarHBondContact O-OG1 3.12Å; L468-T471 HydrophobicContact CD1-CG2 4.49Å; L468-T471 PolarHBondContact O-OG1 2.96Å; L468-T471 PolarHBondContact O-N 3.26Å; L468-T471 WeakPolarHBondContact O-CB 3.38Å; L468-T471 WeakPolarHBondContact O-CA 3.43Å; L468-T471 CarbonylContact O-C 3.55Å; L468-T471 HydrophobicContact CB-CG2 3.96Å; L469-T471 PolarHBondContact O-N 3.35Å |
| 472 | V | 91.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 14% | 0.139 | 13% | 0.126 | C | C | . | . | trans | -82 | 129 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | P260 R378 C452 P467 L468 L469 | P260-V472 HydrophobicContact CG-CB 3.81Å; P260-V472 HydrophobicContact CG-CG1 3.99Å; R378-V472 PolarHBondContact NH1-O 2.92Å; C452-V472 HydrophobicContact CB-CB 4.5Å; C452-V472 HydrophobicContact CB-CG2 3.86Å; P467-V472 HydrophobicContact CB-CG2 3.82Å; L468-V472 PolarHBondContact O-N 3.17Å; L469-V472 PolarHBondContact O-N 3.16Å | ||
| 473 | M | 74.4 | Confident | 93.5 | Very high | 121 Ų | 121 | 23.5 Ų | 23.5 | 60% | 0.596 | 12% | 0.118 | S | C | * | . | trans | -81.8 | 0 | 174.1 | -122.7 | 159.8 | 13 | 0 | 0 | 109.1 | K261 R378 | K261-M473 WeakPolarHBondContact CD-O 3.35Å; K261-M473 WeakPolarHBondContact CE-O 3.49Å; K261-M473 VanDerWaalsContact CE-OXT 3.24Å; K261-M473 WeakPolarHBondContact CE-OXT 3.29Å; K261-M473 VanDerWaalsContact CG-O 3.3Å; K261-M473 WeakPolarHBondContact CG-O 3.28Å; K261-M473 PolarHBondContact NZ-O 2.92Å; R378-M473 VanDerWaalsContact CZ-SD 3.51Å; R378-M473 VanDerWaalsContact NH1-CG 3.34Å; R378-M473 VanDerWaalsContact NH2-CG 3.34Å; R378-M473 PolarHBondContact NH2-SD 2.93Å |
Retrieved 473 of 473 residues in 131.7 ms
(Link to these results)