| 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 | 25.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 100.8 Ų | 100.8 | 87% | 0.867 | 56% | 0.559 | S | S | * | * | 0 | 94.7 | 0 | -66.2 | 177.2 | 67.5 | 0 | 0 | 108.8 | Q1254 | M1-Q1254 HydrophobicContact CE-CG 4.33Å; M1-Q1254 HydrophobicContact CG-CB 4.11Å; M1-Q1254 HydrophobicContact CG-CG 4.45Å; M1-Q1254 VanDerWaalsContact CG-OE1 3.3Å; M1-Q1254 HydrophobicContact SD-CB 3.91Å; M1-Q1254 VanDerWaalsContact SD-CD 3.55Å; M1-Q1254 HydrophobicContact SD-CG 3.81Å; M1-Q1254 PolarHBondContact SD-OE1 3.45Å | |||
| 2 | S | 27.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 101.3 Ų | 101.3 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | trans | -147.7 | -29.9 | -173.9 | 43.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | G | 27.6 | Very low | 38.3 | Very low | 49 Ų | 49 | 103.1 Ų | 103.1 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.4 | 150.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 4 | S | 36.3 | Very low | 39.5 | Very low | 114 Ų | 114 | 98.2 Ų | 98.2 | 80% | 0.797 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 12.2 | 178 | -53.5 | 0 | 0 | 0 | 0 | 118.4 | R6 | S4-R6 PolarHBondContact O-N 2.91Š|
| 5 | R | 35.5 | Very low | 40.7 | Very low | 181 Ų | 181 | 94.3 Ų | 94.3 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | trans | -74.6 | 41.4 | 164.9 | -75.6 | -163.2 | -179.7 | -177.5 | 4.4 | 114.2 | G7 | R5-G7 PolarHBondContact O-N 3.2Š| ||
| 6 | R | 41.7 | Very low | 42.4 | Very low | 200 Ų | 200 | 93.4 Ų | 93.4 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | trans | -68.2 | 118.2 | 159.9 | -65.8 | -176.1 | -177 | -174.9 | 0.7 | 106.7 | S4 | S4-R6 PolarHBondContact O-N 2.91Š| ||
| 7 | G | 36.7 | Very low | 43.7 | Very low | 14 Ų | 14 | 91.4 Ų | 91.4 | 14% | 0.144 | 50% | 0.496 | C | S | . | . | trans | -56.2 | 145.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R5 V9 G350 | R5-G7 PolarHBondContact O-N 3.2Å; G7-V9 PolarHBondContact O-N 2.98Å; G7-G350 CarbonylContact C-O 3.57Å; G7-G350 WeakPolarHBondContact CA-O 3.38Å | ||
| 8 | L | 38.3 | Very low | 44.8 | Very low | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | trans | -74.7 | 70.6 | -174.5 | -80 | 168.6 | 0 | 0 | 0 | 112.3 | A10 G350 | L8-A10 PolarHBondContact O-N 3Å; L8-G350 PolarHBondContact N-O 3.23Å | ||
| 9 | V | 49.1 | Very low | 46.1 | Very low | 60 Ų | 60 | 88.4 Ų | 88.4 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | trans | -81.2 | 39 | 173.5 | -155.9 | 0 | 0 | 0 | 0 | 111.7 | G7 Y284 V352 | G7-V9 PolarHBondContact O-N 2.98Å; V9-Y284 HydrophobicContact CG1-CE1 4.35Å; V9-Y284 WeakPolarHBondContact CG1-OH 3.36Å; V9-Y284 HydrophobicContact CG2-CD1 4.33Å; V9-Y284 HydrophobicContact CG2-CE1 3.76Å; V9-V352 HydrophobicContact CG2-CG2 4Å | ||
| 10 | A | 44.1 | Very low | 47.6 | Very low | 56 Ų | 56 | 85.3 Ų | 85.3 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | trans | -74 | 134 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L8 Q12 | L8-A10 PolarHBondContact O-N 3Å; A10-Q12 HydrophobicContact CB-CG 4.2Å; A10-Q12 PolarHBondContact O-N 2.91Å | ||
| 11 | P | 45.5 | Very low | 48.6 | Very low | 68 Ų | 68 | 88 Ų | 88 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | trans | -72.4 | 72.5 | 167.9 | 31.2 | -34.2 | 0 | 0 | 0 | 109.3 | Q271 | P11-Q271 HydrophobicContact CB-CG 4.25Š| ||
| 12 | Q | 44.2 | Very low | 50.6 | Low | 106 Ų | 106 | 84.9 Ų | 84.9 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | trans | -59.1 | 141.4 | -174.7 | -66.6 | 178.7 | -7 | 0 | 0 | 111.6 | A10 T14 | A10-Q12 HydrophobicContact CB-CG 4.2Å; A10-Q12 PolarHBondContact O-N 2.91Å; Q12-T14 HydrophobicContact CB-CG2 4.03Å; Q12-T14 PolarHBondContact O-N 3.17Å; Q12-T14 VanDerWaalsContact OE1-CG2 3.27Å | ||
| 13 | N | 46.3 | Very low | 52.7 | Low | 125 Ų | 125 | 81.5 Ų | 81.5 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -69.4 | 32.7 | 167.6 | -80.5 | -34 | 0 | 0 | 0 | 113.4 | F15 | N13-F15 PolarHBondContact O-N 3.44Å; N13-F15 VanDerWaalsContact O-N 3.16Å |
| 14 | T | 54.8 | Low | 55 | Low | 35 Ų | 35 | 83 Ų | 83 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 17.1 | 171.7 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | Q12 L16 D17 K18 | Q12-T14 HydrophobicContact CB-CG2 4.03Å; Q12-T14 PolarHBondContact O-N 3.17Å; Q12-T14 VanDerWaalsContact OE1-CG2 3.27Å; T14-L16 PolarHBondContact O-N 2.73Å; T14-D17 CarbonylContact O-C 3.58Å; T14-D17 PolarHBondContact O-N 3.27Å; T14-D17 VanDerWaalsContact O-N 3.16Å; T14-K18 WeakPolarHBondContact O-CB 3.35Å; T14-K18 VanDerWaalsContact O-CG 3.29Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 2.89Å |
| 15 | F | 57.8 | Low | 56.4 | Low | 39 Ų | 39 | 81 Ų | 81 | 17% | 0.171 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.7 | -50.2 | 177.8 | 172.7 | -107.2 | 0 | 0 | 0 | 112.5 | N13 D17 K18 I19 V116 L125 Y269 | N13-F15 PolarHBondContact O-N 3.44Å; N13-F15 VanDerWaalsContact O-N 3.16Å; F15-D17 PolarHBondContact O-N 2.91Å; F15-K18 PolarHBondContact O-N 3.46Å; F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.67Å; F15-I19 HydrophobicContact CE2-CD1 3.69Å; F15-I19 HydrophobicContact CE2-CG1 4.19Å; F15-I19 HydrophobicContact CZ-CD1 3.23Å; F15-I19 HydrophobicContact CZ-CG1 4.2Å; F15-I19 PolarHBondContact O-N 3.27Å; F15-V116 HydrophobicContact CZ-CG1 3.81Å; F15-L125 HydrophobicContact CE1-CD1 4.04Å; F15-Y269 AromaticContact CD1-CD2 3.8Å; F15-Y269 HydrophobicContact CD1-CD2 3.8Å; F15-Y269 HydrophobicContact CD1-CE2 4.35Å; F15-Y269 AromaticContact CE1-CD2 3.46Å; F15-Y269 HydrophobicContact CE1-CD2 3.46Å; F15-Y269 VanDerWaalsContact CE1-CD2 3.46Å; F15-Y269 HydrophobicContact CE1-CE2 4.34Å; F15-Y269 HydrophobicContact CE1-CG 4.14Å; F15-Y269 VanDerWaalsContact CE2-CA 3.41Å; F15-Y269 HydrophobicContact CE2-CD2 4.5Å; F15-Y269 HydrophobicContact CE2-CG 4.4Å; F15-Y269 HydrophobicContact CG-CD2 4.44Å; F15-Y269 VanDerWaalsContact CZ-CB 3.49Å; F15-Y269 AromaticContact CZ-CD2 3.84Å; F15-Y269 HydrophobicContact CZ-CD2 3.84Å; F15-Y269 HydrophobicContact CZ-CG 4.06Å |
| 16 | L | 67 | Low | 57.9 | Low | 80 Ų | 80 | 76.2 Ų | 76.2 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | -77.2 | 171 | 0 | 0 | 0 | 111.7 | T14 K18 I19 I20 L32 L125 | T14-L16 PolarHBondContact O-N 2.73Å; L16-K18 PolarHBondContact O-N 3.02Å; L16-I19 PolarHBondContact O-N 3.42Å; L16-I20 HydrophobicContact CB-CD1 4.47Å; L16-I20 VanDerWaalsContact O-CB 3.31Å; L16-I20 WeakPolarHBondContact O-CB 3.29Å; L16-I20 WeakPolarHBondContact O-CD1 3.35Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 2.93Å; L16-L32 HydrophobicContact CD2-CD1 3.95Å; L16-L125 HydrophobicContact CD2-CD2 4.32Å |
| 17 | D | 64.5 | Low | 59.3 | Low | 60 Ų | 60 | 68.5 Ų | 68.5 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | 179 | -168.6 | 45.9 | 0 | 0 | 0 | 112.4 | T14 F15 I20 R21 | T14-D17 CarbonylContact O-C 3.58Å; T14-D17 PolarHBondContact O-N 3.27Å; T14-D17 VanDerWaalsContact O-N 3.16Å; F15-D17 PolarHBondContact O-N 2.91Å; D17-I20 PolarHBondContact O-N 2.86Å; D17-R21 VanDerWaalsContact O-CB 3.32Å; D17-R21 WeakPolarHBondContact O-CB 3.35Å; D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.48Å; D17-R21 IonicContact OD1-NE 3.99Å; D17-R21 IonicContact OD2-CZ 2.72Å; D17-R21 IonicContact OD2-NE 3.94Å; D17-R21 PolarHBondContact OD2-NE 3.44Å; D17-R21 IonicContact OD2-NH2 3.26Å; D17-R21 PolarHBondContact OD2-NH2 3.38Å |
| 18 | K | 64.3 | Low | 61.3 | Low | 122 Ų | 122 | 75.8 Ų | 75.8 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 172.7 | -75.1 | 172.3 | -178.1 | 174.5 | 0 | 111.4 | T14 F15 L16 R22 | T14-K18 WeakPolarHBondContact O-CB 3.35Å; T14-K18 VanDerWaalsContact O-CG 3.29Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 2.89Å; F15-K18 PolarHBondContact O-N 3.46Å; L16-K18 PolarHBondContact O-N 3.02Å; K18-R22 VanDerWaalsContact O-CB 3.24Å; K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 PolarHBondContact O-N 2.7Å |
| 19 | I | 69.6 | Low | 63.6 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -52.3 | 170.7 | -75.3 | -177.1 | 0 | 0 | 0 | 109.6 | F15 L16 R21 R22 C23 L32 V116 P267 | F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.67Å; F15-I19 HydrophobicContact CE2-CD1 3.69Å; F15-I19 HydrophobicContact CE2-CG1 4.19Å; F15-I19 HydrophobicContact CZ-CD1 3.23Å; F15-I19 HydrophobicContact CZ-CG1 4.2Å; F15-I19 PolarHBondContact O-N 3.27Å; L16-I19 PolarHBondContact O-N 3.42Å; I19-R21 PolarHBondContact O-N 3.46Å; I19-R22 PolarHBondContact O-N 3.07Å; I19-C23 VanDerWaalsContact O-CB 3.23Å; I19-C23 WeakPolarHBondContact O-CB 3.48Å; I19-C23 PolarHBondContact O-N 3.43Å; I19-C23 PolarHBondContact O-SG 2.87Å; I19-C23 VanDerWaalsContact O-SG 3.34Å; I19-L32 HydrophobicContact CG2-CD1 4.01Å; I19-L32 HydrophobicContact CG2-CD2 4.02Å; I19-V116 HydrophobicContact CD1-CG1 4.13Å; I19-P267 HydrophobicContact CG1-CB 4.07Å; I19-P267 HydrophobicContact CG1-CG 3.93Å |
| 20 | I | 75.1 | Confident | 65.6 | Low | 25 Ų | 25 | 67.4 Ų | 67.4 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | -176.2 | -71.5 | 163.3 | 0 | 0 | 0 | 111.6 | L16 D17 N24 L32 Y44 | L16-I20 HydrophobicContact CB-CD1 4.47Å; L16-I20 VanDerWaalsContact O-CB 3.31Å; L16-I20 WeakPolarHBondContact O-CB 3.29Å; L16-I20 WeakPolarHBondContact O-CD1 3.35Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 2.93Å; D17-I20 PolarHBondContact O-N 2.86Å; I20-N24 WeakPolarHBondContact CG2-ND2 3.26Å; I20-N24 WeakPolarHBondContact O-CB 3.47Å; I20-N24 PolarHBondContact O-N 3.43Å; I20-N24 PolarHBondContact O-ND2 3.19Å; I20-L32 HydrophobicContact CG1-CD1 4.31Å; I20-Y44 HydrophobicContact CD1-CD1 4.1Å; I20-Y44 HydrophobicContact CD1-CD2 3.72Å; I20-Y44 HydrophobicContact CD1-CE1 4.07Å; I20-Y44 HydrophobicContact CD1-CE2 3.67Å; I20-Y44 HydrophobicContact CD1-CG 3.94Å; I20-Y44 HydrophobicContact CG1-CD1 3.98Å; I20-Y44 HydrophobicContact CG1-CD2 4.45Å; I20-Y44 HydrophobicContact CG1-CE1 3.76Å; I20-Y44 HydrophobicContact CG1-CE2 4.25Å; I20-Y44 HydrophobicContact CG1-CG 4.34Å; I20-Y44 HydrophobicContact CG2-CE1 4.17Å; I20-Y44 HydrophobicContact CG2-CE2 4.41Å; I20-Y44 WeakPolarHBondContact CG2-OH 3.39Å |
| 21 | R | 68.6 | Low | 67.9 | Low | 143 Ų | 143 | 64.8 Ų | 64.8 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.2 | -72.1 | 178.5 | -162.3 | -153.3 | 11.8 | 112.4 | D17 I19 G25 | D17-R21 VanDerWaalsContact O-CB 3.32Å; D17-R21 WeakPolarHBondContact O-CB 3.35Å; D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.48Å; D17-R21 IonicContact OD1-NE 3.99Å; D17-R21 IonicContact OD2-CZ 2.72Å; D17-R21 IonicContact OD2-NE 3.94Å; D17-R21 PolarHBondContact OD2-NE 3.44Å; D17-R21 IonicContact OD2-NH2 3.26Å; D17-R21 PolarHBondContact OD2-NH2 3.38Å; I19-R21 PolarHBondContact O-N 3.46Å; R21-G25 PolarHBondContact O-N 2.86Å |
| 22 | R | 67 | Low | 70.1 | Confident | 110 Ų | 110 | 61.6 Ų | 61.6 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | -179.3 | -174.7 | 168 | 168.8 | 127.5 | -12.4 | 111.5 | K18 I19 G25 Q26 L265 | K18-R22 VanDerWaalsContact O-CB 3.24Å; K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 PolarHBondContact O-N 2.7Å; I19-R22 PolarHBondContact O-N 3.07Å; R22-G25 PolarHBondContact O-N 3.27Å; R22-Q26 VanDerWaalsContact O-CG 3.32Å; R22-Q26 WeakPolarHBondContact O-CG 3.44Å; R22-Q26 PolarHBondContact O-N 2.94Å; R22-L265 VanDerWaalsContact CZ-O 3.28Å; R22-L265 PolarHBondContact NE-O 3.12Å; R22-L265 PolarHBondContact NH2-O 3.38Å |
| 23 | C | 71.8 | Confident | 72.3 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175.4 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | I19 G25 Q26 F27 F30 | I19-C23 VanDerWaalsContact O-CB 3.23Å; I19-C23 WeakPolarHBondContact O-CB 3.48Å; I19-C23 PolarHBondContact O-N 3.43Å; I19-C23 PolarHBondContact O-SG 2.87Å; I19-C23 VanDerWaalsContact O-SG 3.34Å; C23-G25 PolarHBondContact O-N 3.33Å; C23-Q26 PolarHBondContact O-N 3.37Å; C23-F27 HydrophobicContact CB-CD2 3.99Å; C23-F27 PolarHBondContact O-N 2.98Å; C23-F30 HydrophobicContact CB-CD1 3.81Å; C23-F30 HydrophobicContact CB-CD2 4.06Å; C23-F30 HydrophobicContact CB-CE1 3.44Å; C23-F30 VanDerWaalsContact CB-CE1 3.44Å; C23-F30 HydrophobicContact CB-CE2 3.73Å; C23-F30 HydrophobicContact CB-CG 4.11Å; C23-F30 HydrophobicContact CB-CZ 3.41Å; C23-F30 VanDerWaalsContact CB-CZ 3.41Å |
| 24 | N | 75.8 | Confident | 74.5 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -24.5 | 172.7 | -80.8 | -36.4 | 0 | 0 | 0 | 113 | I20 F30 N46 | I20-N24 WeakPolarHBondContact CG2-ND2 3.26Å; I20-N24 WeakPolarHBondContact O-CB 3.47Å; I20-N24 PolarHBondContact O-N 3.43Å; I20-N24 PolarHBondContact O-ND2 3.19Å; N24-F30 WeakPolarHBondContact OD1-CE1 3.43Å; N24-N46 PolarHBondContact OD1-ND2 2.85Å |
| 25 | G | 67.5 | Low | 76.2 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 73% | 0.732 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R21 R22 C23 | R21-G25 PolarHBondContact O-N 2.86Å; R22-G25 PolarHBondContact O-N 3.27Å; C23-G25 PolarHBondContact O-N 3.33Å |
| 26 | Q | 66.9 | Low | 77.6 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -32.7 | -171.4 | -70 | 172.5 | -8.1 | 0 | 0 | 113.4 | R22 C23 | R22-Q26 VanDerWaalsContact O-CG 3.32Å; R22-Q26 WeakPolarHBondContact O-CG 3.44Å; R22-Q26 PolarHBondContact O-N 2.94Å; C23-Q26 PolarHBondContact O-N 3.37Å |
| 27 | F | 71.1 | Confident | 78.7 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | trans | -126.4 | 115.9 | -176.1 | -54.3 | -70.1 | 0 | 0 | 0 | 109.5 | C23 S29 F30 L127 A129 | C23-F27 HydrophobicContact CB-CD2 3.99Å; C23-F27 PolarHBondContact O-N 2.98Å; F27-S29 VanDerWaalsContact C-N 3.29Å; F27-S29 PolarHBondContact O-N 3.03Å; F27-F30 HydrophobicContact CB-CB 4.28Å; F27-F30 HydrophobicContact CB-CD1 4.14Å; F27-L127 HydrophobicContact CE2-CD2 4.17Å; F27-A129 HydrophobicContact CB-CB 4.24Å; F27-A129 HydrophobicContact CD1-CB 3.66Å; F27-A129 HydrophobicContact CE1-CB 4.12Å; F27-A129 HydrophobicContact CG-CB 3.89Å | ||
| 28 | Y | 77.5 | Confident | 79.6 | Confident | 166 Ų | 166 | 59.1 Ų | 59.1 | 65% | 0.651 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -60.7 | -39.4 | 177.8 | -175.7 | -98.8 | 0 | 0 | 0 | 111.9 | N46 G48 | Y28-N46 PolarHBondContact O-ND2 2.93Å; Y28-G48 WeakPolarHBondContact O-CA 3.43Å |
| 29 | S | 87.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.8 | 178.3 | -61.4 | 0 | 0 | 0 | 0 | 111 | F27 N46 G48 F49 L52 F130 | F27-S29 VanDerWaalsContact C-N 3.29Å; F27-S29 PolarHBondContact O-N 3.03Å; S29-N46 WeakPolarHBondContact CA-OD1 3.46Å; S29-G48 PolarHBondContact OG-O 3.2Å; S29-G48 VanDerWaalsContact OG-O 3.12Å; S29-F49 PolarHBondContact OG-N 3.5Å; S29-L52 WeakPolarHBondContact OG-CD2 3.49Å; S29-F130 PolarHBondContact O-N 3.35Å |
| 30 | F | 90.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 162 | 173.9 | 74.7 | -87.1 | 0 | 0 | 0 | 113.7 | C23 N24 F27 L32 Y44 N46 L127 L128 A129 | C23-F30 HydrophobicContact CB-CD1 3.81Å; C23-F30 HydrophobicContact CB-CD2 4.06Å; C23-F30 HydrophobicContact CB-CE1 3.44Å; C23-F30 VanDerWaalsContact CB-CE1 3.44Å; C23-F30 HydrophobicContact CB-CE2 3.73Å; C23-F30 HydrophobicContact CB-CG 4.11Å; C23-F30 HydrophobicContact CB-CZ 3.41Å; C23-F30 VanDerWaalsContact CB-CZ 3.41Å; N24-F30 WeakPolarHBondContact OD1-CE1 3.43Å; F27-F30 HydrophobicContact CB-CB 4.28Å; F27-F30 HydrophobicContact CB-CD1 4.14Å; F30-L32 HydrophobicContact CE2-CG 4.4Å; F30-Y44 HydrophobicContact CE2-CD1 4.02Å; F30-Y44 AromaticContact CE2-CE1 3.78Å; F30-Y44 HydrophobicContact CE2-CE1 3.78Å; F30-Y44 AromaticContact CZ-CE1 3.86Å; F30-Y44 HydrophobicContact CZ-CE1 3.86Å; F30-N46 HydrophobicContact CD1-CB 3.88Å; F30-N46 HydrophobicContact CE1-CB 3.55Å; F30-N46 HydrophobicContact CE2-CB 4.48Å; F30-N46 HydrophobicContact CG-CB 4.47Å; F30-N46 HydrophobicContact CZ-CB 3.87Å; F30-N46 PolarHBondContact N-OD1 3.45Å; F30-N46 PolarHBondContact O-N 3.15Å; F30-N46 VanDerWaalsContact O-N 3.07Å; F30-N46 PolarHBondContact O-OD1 2.98Å; F30-L127 HydrophobicContact CB-CD1 4.18Å; F30-L127 HydrophobicContact CD2-CD1 3.79Å; F30-L127 HydrophobicContact CG-CD1 4.26Å; F30-L128 CarbonylContact C-O 3.57Å; F30-L128 VanDerWaalsContact CA-O 3.25Å; F30-L128 WeakPolarHBondContact CA-O 3.34Å; F30-A129 HydrophobicContact CB-CB 4.24Å |
| 31 | V | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.2 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 109 | I42 Y44 C45 F49 L128 F130 | V31-I42 HydrophobicContact CG1-CB 4.13Å; V31-I42 HydrophobicContact CG1-CD1 3.84Å; V31-I42 HydrophobicContact CG1-CG1 3.63Å; V31-I42 HydrophobicContact CG1-CG2 3.45Å; V31-I42 VanDerWaalsContact CG1-CG2 3.45Å; V31-Y44 WeakPolarHBondContact CA-O 3.43Å; V31-Y44 WeakPolarHBondContact CG1-O 3.25Å; V31-C45 HydrophobicContact CG2-CB 4.11Å; V31-F49 HydrophobicContact CG2-CB 4.36Å; V31-F49 HydrophobicContact CG2-CD1 3.44Å; V31-F49 VanDerWaalsContact CG2-CD1 3.44Å; V31-F49 HydrophobicContact CG2-CD2 3.76Å; V31-F49 HydrophobicContact CG2-CE1 3.51Å; V31-F49 HydrophobicContact CG2-CE2 3.82Å; V31-F49 HydrophobicContact CG2-CG 3.57Å; V31-F49 HydrophobicContact CG2-CZ 3.68Å; V31-L128 HydrophobicContact CB-CB 4.27Å; V31-L128 PolarHBondContact N-O 2.85Å; V31-L128 PolarHBondContact O-N 2.82Å; V31-F130 HydrophobicContact CB-CE2 4.09Å; V31-F130 HydrophobicContact CG2-CD2 4.38Å; V31-F130 HydrophobicContact CG2-CE2 3.75Å |
| 32 | L | 91.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.7 | 168.9 | -59.5 | 174.4 | 0 | 0 | 0 | 109.4 | L16 I19 I20 F30 V43 Y44 L125 F126 L127 | L16-L32 HydrophobicContact CD2-CD1 3.95Å; I19-L32 HydrophobicContact CG2-CD1 4.01Å; I19-L32 HydrophobicContact CG2-CD2 4.02Å; I20-L32 HydrophobicContact CG1-CD1 4.31Å; F30-L32 HydrophobicContact CE2-CG 4.4Å; L32-V43 HydrophobicContact CB-CG2 4.03Å; L32-V43 WeakPolarHBondContact O-CG2 3.41Å; L32-V43 PolarHBondContact O-N 2.79Å; L32-Y44 HydrophobicContact CD1-CD1 4.28Å; L32-Y44 HydrophobicContact CG-CD1 4.42Å; L32-Y44 PolarHBondContact N-O 2.85Å; L32-Y44 PolarHBondContact O-N 3.36Å; L32-L125 HydrophobicContact CB-CD2 4.28Å; L32-F126 WeakPolarHBondContact CA-O 3.48Å; L32-L127 HydrophobicContact CD2-CB 4.28Å; L32-L127 HydrophobicContact CD2-CD1 3.71Å |
| 33 | A | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y40 P41 L125 F126 L128 | A33-Y40 WeakPolarHBondContact CB-O 3.32Å; A33-P41 WeakPolarHBondContact CA-O 3.21Å; A33-L125 CarbonylContact O-C 3.52Å; A33-L125 WeakPolarHBondContact O-CA 3.31Å; A33-L125 WeakPolarHBondContact O-CB 3.48Å; A33-F126 HydrophobicContact CB-CB 4.43Å; A33-F126 PolarHBondContact N-O 3.42Å; A33-F126 PolarHBondContact O-N 2.9Å; A33-L128 HydrophobicContact CB-CD1 4.37Å |
| 34 | N | 91.7 | Very high | 85.7 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125 | 176.2 | -170.6 | -26.3 | 0 | 0 | 0 | 110.3 | R36 I37 Y40 P41 V43 V124 | N34-R36 PolarHBondContact OD1-N 3.26Å; N34-I37 HydrophobicContact CB-CD1 4.39Å; N34-I37 VanDerWaalsContact ND2-CD1 3.29Å; N34-I37 WeakPolarHBondContact ND2-CD1 3.37Å; N34-Y40 WeakPolarHBondContact O-CA 3.34Å; N34-P41 HydrophobicContact CB-CG 4.3Å; N34-P41 PolarHBondContact N-O 3.42Å; N34-V43 HydrophobicContact CB-CG1 4.06Å; N34-V124 PolarHBondContact OD1-O 2.84Å |
| 35 | A | 90.6 | Very high | 86.4 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V123 V124 F126 | A35-V123 HydrophobicContact CB-CB 4.42Å; A35-V123 HydrophobicContact CB-CG1 3.68Å; A35-V124 PolarHBondContact N-O 3.5Å; A35-F126 HydrophobicContact CB-CD2 3.69Å; A35-F126 HydrophobicContact CB-CE2 3.44Å; A35-F126 VanDerWaalsContact CB-CE2 3.44Å; A35-F126 HydrophobicContact CB-CZ 4.08Å |
| 36 | R | 87.6 | Confident | 87.5 | Confident | 132 Ų | 132 | 46.7 Ų | 46.7 | 50% | 0.498 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.1 | -175.5 | -61.6 | -174.3 | 175.4 | -155.7 | -4.8 | 114.3 | N34 N118 E122 | N34-R36 PolarHBondContact OD1-N 3.26Å; R36-N118 PolarHBondContact NH2-ND2 2.83Å; R36-E122 IonicContact CZ-OE2 3.98Å; R36-E122 IonicContact NH1-OE2 3.51Å; R36-E122 VanDerWaalsContact NH2-CD 3.34Å; R36-E122 IonicContact NH2-OE1 3.32Å; R36-E122 IonicContact NH2-OE2 3.99Å; R36-E122 PolarHBondContact NH2-OE2 3.15Å |
| 37 | I | 88.7 | Confident | 88.6 | Confident | 89 Ų | 89 | 48 Ų | 48 | 46% | 0.456 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -119.7 | 139.1 | -179.3 | -55.3 | 176.5 | 0 | 0 | 0 | 108.3 | N34 Y40 P41 | N34-I37 HydrophobicContact CB-CD1 4.39Å; N34-I37 VanDerWaalsContact ND2-CD1 3.29Å; N34-I37 WeakPolarHBondContact ND2-CD1 3.37Å; I37-Y40 PolarHBondContact O-N 3.24Å; I37-Y40 VanDerWaalsContact O-N 3.14Å; I37-P41 HydrophobicContact CB-CG 3.82Å; I37-P41 HydrophobicContact CD1-CG 4.23Å; I37-P41 HydrophobicContact CG2-CG 3.81Å |
| 38 | V | 85.3 | Confident | 89.3 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 73% | 0.733 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 147.4 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | Y40 P41 | V38-Y40 PolarHBondContact O-N 3.04Å; V38-Y40 VanDerWaalsContact O-N 3.11Å; V38-P41 WeakPolarHBondContact O-CD 3.31Å |
| 39 | D | 85.3 | Confident | 89.9 | Confident | 114 Ų | 114 | 38.6 Ų | 38.6 | 61% | 0.61 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 3.3 | -173.1 | -55.3 | -39.4 | 0 | 0 | 0 | 115.9 | S64 G65 | D39-S64 WeakPolarHBondContact O-CA 3.41Å; D39-S64 WeakPolarHBondContact O-CB 3.37Å; D39-S64 PolarHBondContact O-OG 2.83Å; D39-G65 PolarHBondContact O-N 3.33Å |
| 40 | Y | 91.3 | Very high | 90 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | trans | 53.5 | 61.3 | 176.7 | -49.5 | -60.8 | 0 | 0 | 0 | 113.2 | A33 N34 I37 V38 G65 L87 D88 F126 | A33-Y40 WeakPolarHBondContact CB-O 3.32Å; N34-Y40 WeakPolarHBondContact O-CA 3.34Å; I37-Y40 PolarHBondContact O-N 3.24Å; I37-Y40 VanDerWaalsContact O-N 3.14Å; V38-Y40 PolarHBondContact O-N 3.04Å; V38-Y40 VanDerWaalsContact O-N 3.11Å; Y40-G65 WeakPolarHBondContact O-CA 3.37Å; Y40-G65 PolarHBondContact O-N 2.98Å; Y40-L87 HydrophobicContact CD2-CB 3.98Å; Y40-L87 HydrophobicContact CD2-CD1 3.88Å; Y40-L87 HydrophobicContact CD2-CG 4.43Å; Y40-L87 HydrophobicContact CE2-CB 3.66Å; Y40-L87 HydrophobicContact CE2-CD1 4.32Å; Y40-D88 WeakPolarHBondContact CE2-OD1 3.34Å; Y40-D88 PolarHBondContact OH-OD1 2.83Å; Y40-F126 HydrophobicContact CD1-CD2 4.21Å; Y40-F126 AromaticContact CD1-CE2 3.74Å; Y40-F126 HydrophobicContact CD1-CE2 3.74Å; Y40-F126 AromaticContact CE1-CE2 3.85Å; Y40-F126 HydrophobicContact CE1-CE2 3.85Å; Y40-F126 HydrophobicContact CG-CE2 4.38Å | ||
| 41 | P | 93.2 | Very high | 89.9 | Confident | 25 Ų | 25 | 47 Ų | 47 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -65.6 | 137.5 | -168.8 | 27 | -35.4 | 0 | 0 | 0 | 112.5 | A33 N34 I37 V38 V43 K63 | A33-P41 WeakPolarHBondContact CA-O 3.21Å; N34-P41 HydrophobicContact CB-CG 4.3Å; N34-P41 PolarHBondContact N-O 3.42Å; I37-P41 HydrophobicContact CB-CG 3.82Å; I37-P41 HydrophobicContact CD1-CG 4.23Å; I37-P41 HydrophobicContact CG2-CG 3.81Å; V38-P41 WeakPolarHBondContact O-CD 3.31Å; P41-V43 PolarHBondContact O-N 3.35Å; P41-K63 WeakPolarHBondContact CA-O 3.5Å |
| 42 | I | 93 | Very high | 89.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 117.7 | 179.1 | -67.2 | 168.5 | 0 | 0 | 0 | 110.4 | V31 I60 Q62 K63 F69 | V31-I42 HydrophobicContact CG1-CB 4.13Å; V31-I42 HydrophobicContact CG1-CD1 3.84Å; V31-I42 HydrophobicContact CG1-CG1 3.63Å; V31-I42 HydrophobicContact CG1-CG2 3.45Å; V31-I42 VanDerWaalsContact CG1-CG2 3.45Å; I42-I60 HydrophobicContact CD1-CG2 4.16Å; I42-I60 HydrophobicContact CG2-CG2 4.07Å; I42-Q62 PolarHBondContact O-N 3.23Å; I42-K63 HydrophobicContact CD1-CB 4.36Å; I42-K63 WeakPolarHBondContact CG1-O 3.26Å; I42-K63 PolarHBondContact N-O 3.33Å; I42-F69 HydrophobicContact CD1-CE1 4.42Å |
| 43 | V | 89.7 | Confident | 89.6 | Confident | 61 Ų | 61 | 48 Ų | 48 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -18.8 | 179.7 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | L32 N34 P41 M61 L125 | L32-V43 HydrophobicContact CB-CG2 4.03Å; L32-V43 WeakPolarHBondContact O-CG2 3.41Å; L32-V43 PolarHBondContact O-N 2.79Å; N34-V43 HydrophobicContact CB-CG1 4.06Å; P41-V43 PolarHBondContact O-N 3.35Å; V43-M61 WeakPolarHBondContact O-CE 3.34Å; V43-L125 HydrophobicContact CG2-CD2 3.75Å |
| 44 | Y | 90.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 143.2 | 175.6 | 176.5 | -91.7 | 0 | 0 | 0 | 111.4 | I20 F30 V31 L32 N46 | I20-Y44 HydrophobicContact CD1-CD1 4.1Å; I20-Y44 HydrophobicContact CD1-CD2 3.72Å; I20-Y44 HydrophobicContact CD1-CE1 4.07Å; I20-Y44 HydrophobicContact CD1-CE2 3.67Å; I20-Y44 HydrophobicContact CD1-CG 3.94Å; I20-Y44 HydrophobicContact CG1-CD1 3.98Å; I20-Y44 HydrophobicContact CG1-CD2 4.45Å; I20-Y44 HydrophobicContact CG1-CE1 3.76Å; I20-Y44 HydrophobicContact CG1-CE2 4.25Å; I20-Y44 HydrophobicContact CG1-CG 4.34Å; I20-Y44 HydrophobicContact CG2-CE1 4.17Å; I20-Y44 HydrophobicContact CG2-CE2 4.41Å; I20-Y44 WeakPolarHBondContact CG2-OH 3.39Å; F30-Y44 HydrophobicContact CE2-CD1 4.02Å; F30-Y44 AromaticContact CE2-CE1 3.78Å; F30-Y44 HydrophobicContact CE2-CE1 3.78Å; F30-Y44 AromaticContact CZ-CE1 3.86Å; F30-Y44 HydrophobicContact CZ-CE1 3.86Å; V31-Y44 WeakPolarHBondContact CA-O 3.43Å; V31-Y44 WeakPolarHBondContact CG1-O 3.25Å; L32-Y44 HydrophobicContact CD1-CD1 4.28Å; L32-Y44 HydrophobicContact CG-CD1 4.42Å; L32-Y44 PolarHBondContact N-O 2.85Å; L32-Y44 PolarHBondContact O-N 3.36Å; Y44-N46 HydrophobicContact CE1-CB 3.97Å |
| 45 | C | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.1 | 163.7 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | V31 F49 R57 I60 | V31-C45 HydrophobicContact CG2-CB 4.11Å; C45-F49 HydrophobicContact CB-CD1 4.04Å; C45-R57 PolarHBondContact O-NE 3.2Å; C45-R57 PolarHBondContact O-NH2 3.44Å; C45-I60 HydrophobicContact CB-CG2 3.88Å |
| 46 | N | 91 | Very high | 89.4 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | trans | -79.8 | 167.5 | 175.5 | 93.7 | -32.8 | 0 | 0 | 0 | 111.4 | N24 Y28 S29 F30 Y44 G48 F49 S50 | N24-N46 PolarHBondContact OD1-ND2 2.85Å; Y28-N46 PolarHBondContact O-ND2 2.93Å; S29-N46 WeakPolarHBondContact CA-OD1 3.46Å; F30-N46 HydrophobicContact CD1-CB 3.88Å; F30-N46 HydrophobicContact CE1-CB 3.55Å; F30-N46 HydrophobicContact CE2-CB 4.48Å; F30-N46 HydrophobicContact CG-CB 4.47Å; F30-N46 HydrophobicContact CZ-CB 3.87Å; F30-N46 PolarHBondContact N-OD1 3.45Å; F30-N46 PolarHBondContact O-N 3.15Å; F30-N46 VanDerWaalsContact O-N 3.07Å; F30-N46 PolarHBondContact O-OD1 2.98Å; Y44-N46 HydrophobicContact CE1-CB 3.97Å; N46-G48 PolarHBondContact O-N 3.03Å; N46-G48 PolarHBondContact OD1-N 2.94Å; N46-F49 PolarHBondContact O-N 2.75Å; N46-F49 WeakPolarHBondContact OD1-CB 3.25Å; N46-F49 PolarHBondContact OD1-N 2.79Å; N46-S50 PolarHBondContact O-N 2.82Å | ||
| 47 | E | 89.1 | Confident | 89.5 | Confident | 109 Ų | 109 | 50.8 Ų | 50.8 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69 | -32.2 | -177.4 | -70.7 | -174.7 | -169.1 | 0 | 0 | 113.7 | F49 S50 R51 | E47-F49 VanDerWaalsContact C-N 3.29Å; E47-F49 PolarHBondContact O-N 2.97Å; E47-S50 PolarHBondContact O-N 2.86Å; E47-R51 WeakPolarHBondContact O-CG 3.1Å; E47-R51 PolarHBondContact O-N 3.06Å; E47-R51 IonicContact OE2-CZ 3.64Å; E47-R51 IonicContact OE2-NH2 2.71Å; E47-R51 PolarHBondContact OE2-NH2 3.06Å |
| 48 | G | 86.9 | Confident | 89.5 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y28 S29 N46 R51 L52 | Y28-G48 WeakPolarHBondContact O-CA 3.43Å; S29-G48 PolarHBondContact OG-O 3.2Å; S29-G48 VanDerWaalsContact OG-O 3.12Å; N46-G48 PolarHBondContact O-N 3.03Å; N46-G48 PolarHBondContact OD1-N 2.94Å; G48-R51 PolarHBondContact O-N 3.1Å; G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 3.44Å |
| 49 | F | 90.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 173.3 | -173.9 | -100.8 | 0 | 0 | 0 | 112.5 | S29 V31 C45 N46 E47 L52 T53 I60 F70 F130 | S29-F49 PolarHBondContact OG-N 3.5Å; V31-F49 HydrophobicContact CG2-CB 4.36Å; V31-F49 HydrophobicContact CG2-CD1 3.44Å; V31-F49 VanDerWaalsContact CG2-CD1 3.44Å; V31-F49 HydrophobicContact CG2-CD2 3.76Å; V31-F49 HydrophobicContact CG2-CE1 3.51Å; V31-F49 HydrophobicContact CG2-CE2 3.82Å; V31-F49 HydrophobicContact CG2-CG 3.57Å; V31-F49 HydrophobicContact CG2-CZ 3.68Å; C45-F49 HydrophobicContact CB-CD1 4.04Å; N46-F49 PolarHBondContact O-N 2.75Å; N46-F49 WeakPolarHBondContact OD1-CB 3.25Å; N46-F49 PolarHBondContact OD1-N 2.79Å; E47-F49 VanDerWaalsContact C-N 3.29Å; E47-F49 PolarHBondContact O-N 2.97Å; F49-L52 PolarHBondContact O-N 3.47Å; F49-T53 HydrophobicContact CD1-CG2 4.44Å; F49-T53 HydrophobicContact CD2-CG2 4.27Å; F49-T53 HydrophobicContact CE1-CG2 4.1Å; F49-T53 HydrophobicContact CE2-CG2 3.91Å; F49-T53 HydrophobicContact CZ-CG2 3.83Å; F49-T53 WeakPolarHBondContact O-CB 3.41Å; F49-T53 WeakPolarHBondContact O-CG2 3.47Å; F49-T53 PolarHBondContact O-N 2.93Å; F49-T53 VanDerWaalsContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 2.82Å; F49-I60 HydrophobicContact CD1-CD1 3.94Å; F49-I60 HydrophobicContact CD1-CG2 4.36Å; F49-I60 HydrophobicContact CE1-CD1 4.02Å; F49-I60 HydrophobicContact CE1-CG1 4.4Å; F49-I60 HydrophobicContact CE1-CG2 3.96Å; F49-F70 HydrophobicContact CE1-CE2 4.12Å; F49-F70 HydrophobicContact CE1-CZ 4.11Å; F49-F70 AromaticContact CZ-CE2 3.65Å; F49-F70 HydrophobicContact CZ-CE2 3.65Å; F49-F70 AromaticContact CZ-CZ 3.94Å; F49-F70 HydrophobicContact CZ-CZ 3.94Å; F49-F130 HydrophobicContact CD2-CB 4.34Å; F49-F130 AromaticContact CD2-CD2 3.48Å; F49-F130 HydrophobicContact CD2-CD2 3.48Å; F49-F130 VanDerWaalsContact CD2-CD2 3.48Å; F49-F130 AromaticContact CD2-CE2 3.88Å; F49-F130 HydrophobicContact CD2-CE2 3.88Å; F49-F130 AromaticContact CD2-CG 3.93Å; F49-F130 HydrophobicContact CD2-CG 3.93Å; F49-F130 HydrophobicContact CE2-CB 4.48Å; F49-F130 HydrophobicContact CE2-CD1 4.03Å; F49-F130 AromaticContact CE2-CD2 3.39Å; F49-F130 HydrophobicContact CE2-CD2 3.39Å; F49-F130 HydrophobicContact CE2-CE1 4.04Å; F49-F130 AromaticContact CE2-CE2 3.42Å; F49-F130 HydrophobicContact CE2-CE2 3.42Å; F49-F130 VanDerWaalsContact CE2-CE2 3.42Å; F49-F130 AromaticContact CE2-CG 3.71Å; F49-F130 HydrophobicContact CE2-CG 3.71Å; F49-F130 AromaticContact CE2-CZ 3.76Å; F49-F130 HydrophobicContact CE2-CZ 3.76Å; F49-F130 HydrophobicContact CZ-CD2 4.5Å; F49-F130 HydrophobicContact CZ-CE2 4.15Å; F49-F130 HydrophobicContact CZ-CZ 4.27Å |
| 50 | S | 90.3 | Very high | 90 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.5 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | N46 E47 T53 G54 Y55 | N46-S50 PolarHBondContact O-N 2.82Å; E47-S50 PolarHBondContact O-N 2.86Å; S50-T53 PolarHBondContact O-OG1 2.69Å; S50-G54 WeakPolarHBondContact O-CA 3.42Å; S50-G54 PolarHBondContact O-N 3.06Å; S50-Y55 VanDerWaalsContact CA-O 3.31Å; S50-Y55 WeakPolarHBondContact CA-O 3.09Å; S50-Y55 WeakPolarHBondContact CB-O 3.3Å; S50-Y55 PolarHBondContact OG-O 2.7Å |
| 51 | R | 88.4 | Confident | 89.8 | Confident | 160 Ų | 160 | 46.5 Ų | 46.5 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.4 | -35.8 | 176.6 | -70.4 | -177.8 | -124.9 | 174.3 | -4 | 113.1 | E47 G48 | E47-R51 WeakPolarHBondContact O-CG 3.1Å; E47-R51 PolarHBondContact O-N 3.06Å; E47-R51 IonicContact OE2-CZ 3.64Å; E47-R51 IonicContact OE2-NH2 2.71Å; E47-R51 PolarHBondContact OE2-NH2 3.06Å; G48-R51 PolarHBondContact O-N 3.1Å |
| 52 | L | 87.5 | Confident | 89.6 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.4 | 175.2 | 62 | 0 | 0 | 0 | 112 | S29 G48 F49 K101 F107 L109 F130 D132 | S29-L52 WeakPolarHBondContact OG-CD2 3.49Å; G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 3.44Å; F49-L52 PolarHBondContact O-N 3.47Å; L52-K101 WeakPolarHBondContact O-CD 3.18Å; L52-K101 VanDerWaalsContact O-CE 3.3Å; L52-K101 WeakPolarHBondContact O-CE 3.28Å; L52-K101 PolarHBondContact O-NZ 3.29Å; L52-F107 HydrophobicContact CD1-CD2 4.42Å; L52-F107 HydrophobicContact CD1-CE2 3.87Å; L52-F107 HydrophobicContact CG-CE2 3.97Å; L52-L109 HydrophobicContact CD1-CD2 4.29Å; L52-L109 HydrophobicContact CD2-CD1 4.26Å; L52-L109 HydrophobicContact CD2-CD2 3.99Å; L52-L109 HydrophobicContact CG-CD2 4.46Å; L52-F130 HydrophobicContact CD2-CB 4.13Å; L52-D132 HydrophobicContact CD1-CB 4.3Å |
| 53 | T | 89.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -94.5 | -26.3 | -173.1 | 58 | 0 | 0 | 0 | 0 | 114.1 | F49 S50 Y55 F70 K102 | F49-T53 HydrophobicContact CD1-CG2 4.44Å; F49-T53 HydrophobicContact CD2-CG2 4.27Å; F49-T53 HydrophobicContact CE1-CG2 4.1Å; F49-T53 HydrophobicContact CE2-CG2 3.91Å; F49-T53 HydrophobicContact CZ-CG2 3.83Å; F49-T53 WeakPolarHBondContact O-CB 3.41Å; F49-T53 WeakPolarHBondContact O-CG2 3.47Å; F49-T53 PolarHBondContact O-N 2.93Å; F49-T53 VanDerWaalsContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 2.82Å; S50-T53 PolarHBondContact O-OG1 2.69Å; T53-Y55 PolarHBondContact OG1-N 3.27Å; T53-F70 HydrophobicContact CG2-CE1 3.67Å; T53-F70 HydrophobicContact CG2-CE2 4.32Å; T53-F70 HydrophobicContact CG2-CZ 3.52Å; T53-K102 PolarHBondContact O-N 3.49Å |
| 54 | G | 87.5 | Confident | 89.6 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | trans | 85.5 | 2.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S50 K102 | S50-G54 WeakPolarHBondContact O-CA 3.42Å; S50-G54 PolarHBondContact O-N 3.06Å; G54-K102 WeakPolarHBondContact O-CD 3.39Å | ||
| 55 | Y | 90.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | trans | -98.3 | 143.1 | 179.1 | -71.4 | -101 | 0 | 0 | 0 | 112.1 | S50 T53 E59 I60 F70 K102 | S50-Y55 VanDerWaalsContact CA-O 3.31Å; S50-Y55 WeakPolarHBondContact CA-O 3.09Å; S50-Y55 WeakPolarHBondContact CB-O 3.3Å; S50-Y55 PolarHBondContact OG-O 2.7Å; T53-Y55 PolarHBondContact OG1-N 3.27Å; Y55-E59 HydrophobicContact CD1-CB 4.1Å; Y55-I60 WeakPolarHBondContact O-CD1 3.37Å; Y55-F70 HydrophobicContact CD2-CD1 4.46Å; Y55-F70 AromaticContact CD2-CE1 3.53Å; Y55-F70 HydrophobicContact CD2-CE1 3.53Å; Y55-F70 HydrophobicContact CD2-CZ 4.24Å; Y55-F70 HydrophobicContact CE2-CD1 4.09Å; Y55-F70 AromaticContact CE2-CE1 3.58Å; Y55-F70 HydrophobicContact CE2-CE1 3.58Å; Y55-F70 HydrophobicContact CG-CE1 4.42Å; Y55-K102 HydrophobicContact CD1-CD 4.09Å; Y55-K102 HydrophobicContact CD1-CG 4.37Å; Y55-K102 HydrophobicContact CD2-CB 3.78Å; Y55-K102 HydrophobicContact CD2-CD 4.42Å; Y55-K102 HydrophobicContact CD2-CG 4.29Å; Y55-K102 HydrophobicContact CE1-CD 4.27Å; Y55-K102 HydrophobicContact CE1-CG 4.1Å; Y55-K102 HydrophobicContact CE2-CB 3.55Å; Y55-K102 HydrophobicContact CE2-CG 4.03Å; Y55-K102 HydrophobicContact CG-CB 4.38Å; Y55-K102 HydrophobicContact CG-CD 4.19Å; Y55-K102 HydrophobicContact CG-CG 4.48Å | ||
| 56 | S | 90.8 | Very high | 89.1 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | trans | -71.7 | 156.8 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | V58 E59 I60 | S56-V58 PolarHBondContact O-N 2.89Å; S56-E59 WeakPolarHBondContact CB-OE2 3.47Å; S56-E59 PolarHBondContact N-OE2 2.79Å; S56-E59 PolarHBondContact O-N 2.77Å; S56-E59 VanDerWaalsContact O-N 3.1Å; S56-E59 VanDerWaalsContact OG-CD 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.27Å; S56-E59 WeakPolarHBondContact OG-CG 3.5Å; S56-E59 PolarHBondContact OG-N 3.15Å; S56-E59 PolarHBondContact OG-OE2 3.1Å; S56-I60 WeakPolarHBondContact O-CD1 3.43Å; S56-I60 WeakPolarHBondContact O-CG1 3.23Å; S56-I60 PolarHBondContact O-N 2.73Å | ||
| 57 | R | 89.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55 | -36.6 | 177.5 | 177 | 173.7 | -71.3 | 134.9 | 0.6 | 112.6 | C45 I60 M61 | C45-R57 PolarHBondContact O-NE 3.2Å; C45-R57 PolarHBondContact O-NH2 3.44Å; R57-I60 PolarHBondContact O-N 2.98Å; R57-M61 HydrophobicContact CG-CG 4.21Å; R57-M61 HydrophobicContact CG-SD 3.91Å; R57-M61 WeakPolarHBondContact O-CG 3.38Å; R57-M61 PolarHBondContact O-N 3.12Å |
| 58 | V | 89.4 | Confident | 88.6 | Confident | 130 Ų | 130 | 51.6 Ų | 51.6 | 79% | 0.788 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | S56 I60 | S56-V58 PolarHBondContact O-N 2.89Å; V58-I60 VanDerWaalsContact C-N 3.34Å |
| 59 | E | 90.5 | Very high | 88.6 | Confident | 69 Ų | 69 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.1 | -25.8 | 176.6 | -68 | 167.1 | 119.6 | 0 | 0 | 113.2 | Y55 S56 K63 K102 | Y55-E59 HydrophobicContact CD1-CB 4.1Å; S56-E59 WeakPolarHBondContact CB-OE2 3.47Å; S56-E59 PolarHBondContact N-OE2 2.79Å; S56-E59 PolarHBondContact O-N 2.77Å; S56-E59 VanDerWaalsContact O-N 3.1Å; S56-E59 VanDerWaalsContact OG-CD 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.27Å; S56-E59 WeakPolarHBondContact OG-CG 3.5Å; S56-E59 PolarHBondContact OG-N 3.15Å; S56-E59 PolarHBondContact OG-OE2 3.1Å; E59-K63 WeakPolarHBondContact O-CE 3.46Å; E59-K63 VanDerWaalsContact O-CG 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.4Å; E59-K102 WeakPolarHBondContact OE1-CE 3.37Å; E59-K102 IonicContact OE1-NZ 3.12Å; E59-K102 PolarHBondContact OE1-NZ 3.05Å; E59-K102 IonicContact OE2-NZ 2.67Å; E59-K102 PolarHBondContact OE2-NZ 3.23Å |
| 60 | I | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -88.9 | -35.4 | -176.3 | -66.6 | 161.1 | 0 | 0 | 0 | 112.2 | I42 C45 F49 Y55 S56 R57 V58 K63 F69 | I42-I60 HydrophobicContact CD1-CG2 4.16Å; I42-I60 HydrophobicContact CG2-CG2 4.07Å; C45-I60 HydrophobicContact CB-CG2 3.88Å; F49-I60 HydrophobicContact CD1-CD1 3.94Å; F49-I60 HydrophobicContact CD1-CG2 4.36Å; F49-I60 HydrophobicContact CE1-CD1 4.02Å; F49-I60 HydrophobicContact CE1-CG1 4.4Å; F49-I60 HydrophobicContact CE1-CG2 3.96Å; Y55-I60 WeakPolarHBondContact O-CD1 3.37Å; S56-I60 WeakPolarHBondContact O-CD1 3.43Å; S56-I60 WeakPolarHBondContact O-CG1 3.23Å; S56-I60 PolarHBondContact O-N 2.73Å; R57-I60 PolarHBondContact O-N 2.98Å; V58-I60 VanDerWaalsContact C-N 3.34Å; I60-K63 WeakPolarHBondContact O-CB 3.43Å; I60-K63 WeakPolarHBondContact O-CG 3.45Å; I60-K63 PolarHBondContact O-N 2.91Å; I60-F69 HydrophobicContact CG1-CE2 4.46Å; I60-F69 HydrophobicContact CG1-CZ 4.4Å |
| 61 | M | 87.5 | Confident | 88.5 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 149.8 | -179.7 | -75.7 | -174.8 | 66.8 | 0 | 0 | 112.2 | V43 R57 K63 | V43-M61 WeakPolarHBondContact O-CE 3.34Å; R57-M61 HydrophobicContact CG-CG 4.21Å; R57-M61 HydrophobicContact CG-SD 3.91Å; R57-M61 WeakPolarHBondContact O-CG 3.38Å; R57-M61 PolarHBondContact O-N 3.12Å; M61-K63 PolarHBondContact O-N 3.2Å |
| 62 | Q | 88.5 | Confident | 88.3 | Confident | 171 Ų | 171 | 49.4 Ų | 49.4 | 80% | 0.799 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -1.3 | -173.7 | -56.4 | -178 | -10.8 | 0 | 0 | 115.9 | I42 | I42-Q62 PolarHBondContact O-N 3.23Š|
| 63 | K | 91.4 | Very high | 88.1 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -71.8 | 158.3 | 167.5 | -55.2 | -58.5 | -178.6 | -174.9 | 0 | 110.8 | P41 I42 E59 I60 M61 F69 | P41-K63 WeakPolarHBondContact CA-O 3.5Å; I42-K63 HydrophobicContact CD1-CB 4.36Å; I42-K63 WeakPolarHBondContact CG1-O 3.26Å; I42-K63 PolarHBondContact N-O 3.33Å; E59-K63 WeakPolarHBondContact O-CE 3.46Å; E59-K63 VanDerWaalsContact O-CG 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.4Å; I60-K63 WeakPolarHBondContact O-CB 3.43Å; I60-K63 WeakPolarHBondContact O-CG 3.45Å; I60-K63 PolarHBondContact O-N 2.91Å; M61-K63 PolarHBondContact O-N 3.2Å; K63-F69 HydrophobicContact CB-CD1 3.74Å; K63-F69 HydrophobicContact CB-CE1 3.38Å; K63-F69 HydrophobicContact CB-CZ 4.07Å; K63-F69 HydrophobicContact CG-CD1 4.02Å; K63-F69 HydrophobicContact CG-CE1 3.8Å; K63-F69 HydrophobicContact CG-CZ 4.09Å |
| 64 | S | 90.6 | Very high | 87.7 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -65.3 | 136.3 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | D39 S66 C67 | D39-S64 WeakPolarHBondContact O-CA 3.41Å; D39-S64 WeakPolarHBondContact O-CB 3.37Å; D39-S64 PolarHBondContact O-OG 2.83Å; S64-S66 WeakPolarHBondContact CB-OG 3.49Å; S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.01Å; S64-S66 PolarHBondContact OG-OG 2.78Å; S64-C67 PolarHBondContact O-N 2.94Å |
| 65 | G | 85.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D39 Y40 C67 L128 | D39-G65 PolarHBondContact O-N 3.33Å; Y40-G65 WeakPolarHBondContact O-CA 3.37Å; Y40-G65 PolarHBondContact O-N 2.98Å; G65-C67 PolarHBondContact O-N 3.15Å; G65-C67 VanDerWaalsContact O-N 3.09Å; G65-C67 PolarHBondContact O-SG 3.5Å; G65-C67 VanDerWaalsContact O-SG 3.4Å; G65-L128 WeakPolarHBondContact O-CD1 3.39Å |
| 66 | S | 85.6 | Confident | 87.5 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -9.6 | 166.8 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | S64 A68 Y71 L83 | S64-S66 WeakPolarHBondContact CB-OG 3.49Å; S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.01Å; S64-S66 PolarHBondContact OG-OG 2.78Å; S66-A68 PolarHBondContact O-N 3.09Å; S66-Y71 PolarHBondContact O-OH 3.01Å; S66-L83 WeakPolarHBondContact O-CD2 3.18Å |
| 67 | C | 85.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | 62.6 | 24.8 | 177.6 | -67.2 | 0 | 0 | 0 | 0 | 114 | S64 G65 F69 F70 F99 | S64-C67 PolarHBondContact O-N 2.94Å; G65-C67 PolarHBondContact O-N 3.15Å; G65-C67 VanDerWaalsContact O-N 3.09Å; G65-C67 PolarHBondContact O-SG 3.5Å; G65-C67 VanDerWaalsContact O-SG 3.4Å; C67-F69 PolarHBondContact O-N 2.85Å; C67-F70 HydrophobicContact CB-CD2 3.97Å; C67-F70 WeakPolarHBondContact O-CB 3.44Å; C67-F70 PolarHBondContact O-N 3.42Å; C67-F99 HydrophobicContact CB-CE1 3.99Å; C67-F99 HydrophobicContact CB-CZ 4.19Å | ||
| 68 | A | 84.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -56.7 | -25 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S66 F70 Y71 | S66-A68 PolarHBondContact O-N 3.09Å; A68-F70 PolarHBondContact O-N 2.78Å; A68-Y71 HydrophobicContact CB-CD2 4.05Å; A68-Y71 HydrophobicContact CB-CE2 3.78Å; A68-Y71 WeakPolarHBondContact O-CD2 3.42Å; A68-Y71 PolarHBondContact O-N 2.82Å |
| 69 | F | 86.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 25% | 0.25 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -77.1 | -3.4 | 177.4 | 65.8 | -80.4 | 0 | 0 | 0 | 114.3 | I42 I60 K63 C67 | I42-F69 HydrophobicContact CD1-CE1 4.42Å; I60-F69 HydrophobicContact CG1-CE2 4.46Å; I60-F69 HydrophobicContact CG1-CZ 4.4Å; K63-F69 HydrophobicContact CB-CD1 3.74Å; K63-F69 HydrophobicContact CB-CE1 3.38Å; K63-F69 HydrophobicContact CB-CZ 4.07Å; K63-F69 HydrophobicContact CG-CD1 4.02Å; K63-F69 HydrophobicContact CG-CE1 3.8Å; K63-F69 HydrophobicContact CG-CZ 4.09Å; C67-F69 PolarHBondContact O-N 2.85Å |
| 70 | F | 87.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -103.7 | -1.7 | 173 | -64.7 | -64.3 | 0 | 0 | 0 | 113.5 | F49 T53 Y55 C67 A68 F99 Y100 | F49-F70 HydrophobicContact CE1-CE2 4.12Å; F49-F70 HydrophobicContact CE1-CZ 4.11Å; F49-F70 AromaticContact CZ-CE2 3.65Å; F49-F70 HydrophobicContact CZ-CE2 3.65Å; F49-F70 AromaticContact CZ-CZ 3.94Å; F49-F70 HydrophobicContact CZ-CZ 3.94Å; T53-F70 HydrophobicContact CG2-CE1 3.67Å; T53-F70 HydrophobicContact CG2-CE2 4.32Å; T53-F70 HydrophobicContact CG2-CZ 3.52Å; Y55-F70 HydrophobicContact CD2-CD1 4.46Å; Y55-F70 AromaticContact CD2-CE1 3.53Å; Y55-F70 HydrophobicContact CD2-CE1 3.53Å; Y55-F70 HydrophobicContact CD2-CZ 4.24Å; Y55-F70 HydrophobicContact CE2-CD1 4.09Å; Y55-F70 AromaticContact CE2-CE1 3.58Å; Y55-F70 HydrophobicContact CE2-CE1 3.58Å; Y55-F70 HydrophobicContact CG-CE1 4.42Å; C67-F70 HydrophobicContact CB-CD2 3.97Å; C67-F70 WeakPolarHBondContact O-CB 3.44Å; C67-F70 PolarHBondContact O-N 3.42Å; A68-F70 PolarHBondContact O-N 2.78Å; F70-F99 HydrophobicContact CB-CB 4.09Å; F70-F99 HydrophobicContact CB-CD1 3.37Å; F70-F99 HydrophobicContact CB-CE1 4.05Å; F70-F99 HydrophobicContact CB-CG 4.03Å; F70-F99 HydrophobicContact CG-CD1 4.45Å; F70-F99 WeakPolarHBondContact O-CA 3.43Å; F70-Y100 WeakPolarHBondContact CD1-O 3.49Å; F70-Y100 PolarHBondContact O-N 3.46Å |
| 71 | Y | 89.2 | Confident | 87.1 | Confident | 53 Ų | 53 | 67 Ų | 67 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | trans | -72.3 | 149.2 | 178 | -60.8 | -20.1 | 0 | 0 | 0 | 111.5 | S66 A68 T75 R80 M97 F99 | S66-Y71 PolarHBondContact O-OH 3.01Å; A68-Y71 HydrophobicContact CB-CD2 4.05Å; A68-Y71 HydrophobicContact CB-CE2 3.78Å; A68-Y71 WeakPolarHBondContact O-CD2 3.42Å; A68-Y71 PolarHBondContact O-N 2.82Å; Y71-T75 HydrophobicContact CD1-CG2 3.87Å; Y71-T75 HydrophobicContact CE1-CG2 4.46Å; Y71-T75 HydrophobicContact CG-CG2 4.34Å; Y71-R80 HydrophobicContact CD1-CG 4.16Å; Y71-R80 VanDerWaalsContact CD2-CD 3.45Å; Y71-R80 HydrophobicContact CD2-CG 4.35Å; Y71-R80 HydrophobicContact CE1-CG 3.69Å; Y71-R80 HydrophobicContact CE2-CB 4.34Å; Y71-R80 HydrophobicContact CE2-CG 3.89Å; Y71-R80 HydrophobicContact CG-CG 4.47Å; Y71-M97 HydrophobicContact CE1-CE 3.97Å; Y71-F99 HydrophobicContact CD1-CD1 4.29Å; Y71-F99 AromaticContact CD1-CE1 4Å; Y71-F99 HydrophobicContact CD1-CE1 4Å; Y71-F99 AromaticContact CE1-CE1 3.94Å; Y71-F99 HydrophobicContact CE1-CE1 3.94Å | ||
| 72 | G | 85.7 | Confident | 87.3 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | trans | -151.8 | -163.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q74 T75 | G72-Q74 PolarHBondContact O-N 2.98Å; G72-T75 PolarHBondContact N-OG1 3.49Å; G72-T75 WeakPolarHBondContact O-CB 3.49Å; G72-T75 PolarHBondContact O-N 2.85Å; G72-T75 PolarHBondContact O-OG1 3.37Å | ||
| 73 | E | 83 | Confident | 87.3 | Confident | 195 Ų | 195 | 60.7 Ų | 60.7 | 91% | 0.911 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -39.4 | -167.8 | -67 | 168.7 | -167.6 | 0 | 0 | 113.3 | T75 Y100 | E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.93Å; E73-Y100 PolarHBondContact N-OH 2.74Å |
| 74 | Q | 81 | Confident | 87.3 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.7 | 178.2 | -62.2 | 173.9 | -3.8 | 0 | 0 | 113.7 | G72 T76 L98 Y100 | G72-Q74 PolarHBondContact O-N 2.98Å; Q74-T76 PolarHBondContact O-N 3.46Å; Q74-L98 HydrophobicContact CB-CD1 3.84Å; Q74-L98 HydrophobicContact CB-CD2 3.83Å; Q74-L98 HydrophobicContact CB-CG 4.48Å; Q74-Y100 WeakPolarHBondContact CB-OH 3.48Å; Q74-Y100 WeakPolarHBondContact CG-OH 3.33Å; Q74-Y100 PolarHBondContact N-OH 3.35Å |
| 75 | T | 86.7 | Confident | 87.3 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80.5 | 101.7 | 180 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | Y71 G72 E73 K77 R80 M97 L98 | Y71-T75 HydrophobicContact CD1-CG2 3.87Å; Y71-T75 HydrophobicContact CE1-CG2 4.46Å; Y71-T75 HydrophobicContact CG-CG2 4.34Å; G72-T75 PolarHBondContact N-OG1 3.49Å; G72-T75 WeakPolarHBondContact O-CB 3.49Å; G72-T75 PolarHBondContact O-N 2.85Å; G72-T75 PolarHBondContact O-OG1 3.37Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.93Å; T75-K77 PolarHBondContact O-N 3.48Å; T75-R80 HydrophobicContact CG2-CG 3.83Å; T75-R80 VanDerWaalsContact O-CZ 3.26Å; T75-R80 PolarHBondContact O-NE 3.24Å; T75-R80 PolarHBondContact O-NH2 2.8Å; T75-M97 HydrophobicContact CG2-CE 4.24Å; T75-L98 WeakPolarHBondContact CB-O 3.46Å; T75-L98 WeakPolarHBondContact CG2-O 3.45Å; T75-L98 PolarHBondContact OG1-O 2.9Å |
| 76 | T | 87.2 | Confident | 87.6 | Confident | 60 Ų | 60 | 65 Ų | 65 | 37% | 0.368 | 31% | 0.312 | S | S | . | . | trans | -48.9 | 134.2 | -179.2 | -38.7 | 0 | 0 | 0 | 0 | 113.3 | Q74 E78 M79 R80 | Q74-T76 PolarHBondContact O-N 3.46Å; T76-E78 HydrophobicContact CG2-CB 4.15Å; T76-M79 PolarHBondContact O-N 3.23Å; T76-R80 PolarHBondContact O-N 2.95Å; T76-R80 PolarHBondContact O-NE 2.94Å | ||
| 77 | K | 87.5 | Confident | 87.8 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | -179.1 | -170.4 | 171.4 | -177.2 | -86.1 | 0 | 112.5 | T75 M79 R80 E81 | T75-K77 PolarHBondContact O-N 3.48Å; K77-M79 VanDerWaalsContact C-N 3.3Å; K77-M79 PolarHBondContact O-N 3.49Å; K77-R80 WeakPolarHBondContact O-CB 3.3Å; K77-R80 PolarHBondContact O-N 3.45Å; K77-R80 VanDerWaalsContact O-N 3.09Å; K77-E81 WeakPolarHBondContact CE-OE1 3.42Å; K77-E81 IonicContact NZ-OE1 2.97Å; K77-E81 PolarHBondContact NZ-OE1 3.16Å; K77-E81 PolarHBondContact O-N 2.77Å |
| 78 | E | 89.1 | Confident | 88 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 67% | 0.668 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -50.9 | -45.3 | 175.2 | -176.8 | -168.8 | 169 | 0 | 0 | 112.8 | T76 R80 E81 R82 | T76-E78 HydrophobicContact CG2-CB 4.15Å; E78-R80 PolarHBondContact O-N 2.83Å; E78-E81 PolarHBondContact O-N 2.81Å; E78-R82 WeakPolarHBondContact O-CB 3.47Å; E78-R82 PolarHBondContact O-N 3.03Å |
| 79 | M | 86.6 | Confident | 88.2 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 22% | 0.222 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.1 | -33.6 | -178.9 | -70.8 | 167.8 | 158.8 | 0 | 0 | 112.4 | T76 K77 L83 I95 E96 M97 W108 | T76-M79 PolarHBondContact O-N 3.23Å; K77-M79 VanDerWaalsContact C-N 3.3Å; K77-M79 PolarHBondContact O-N 3.49Å; M79-L83 PolarHBondContact O-N 3.03Å; M79-I95 HydrophobicContact CB-CG2 4.48Å; M79-E96 VanDerWaalsContact CE-O 3.28Å; M79-E96 WeakPolarHBondContact CE-O 3.41Å; M79-M97 HydrophobicContact CB-CE 4.2Å; M79-M97 HydrophobicContact CB-CG 4.19Å; M79-W108 HydrophobicContact CE-CZ3 4.27Å; M79-W108 HydrophobicContact SD-CZ3 4.46Å |
| 80 | R | 89.5 | Confident | 88.2 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 173.9 | -63.7 | -178 | -95.2 | 163.9 | -13 | 111.3 | Y71 T75 T76 K77 E78 R82 L83 L84 M97 | Y71-R80 HydrophobicContact CD1-CG 4.16Å; Y71-R80 VanDerWaalsContact CD2-CD 3.45Å; Y71-R80 HydrophobicContact CD2-CG 4.35Å; Y71-R80 HydrophobicContact CE1-CG 3.69Å; Y71-R80 HydrophobicContact CE2-CB 4.34Å; Y71-R80 HydrophobicContact CE2-CG 3.89Å; Y71-R80 HydrophobicContact CG-CG 4.47Å; T75-R80 HydrophobicContact CG2-CG 3.83Å; T75-R80 VanDerWaalsContact O-CZ 3.26Å; T75-R80 PolarHBondContact O-NE 3.24Å; T75-R80 PolarHBondContact O-NH2 2.8Å; T76-R80 PolarHBondContact O-N 2.95Å; T76-R80 PolarHBondContact O-NE 2.94Å; K77-R80 WeakPolarHBondContact O-CB 3.3Å; K77-R80 PolarHBondContact O-N 3.45Å; K77-R80 VanDerWaalsContact O-N 3.09Å; E78-R80 PolarHBondContact O-N 2.83Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R80-L83 PolarHBondContact O-N 3Å; R80-L84 PolarHBondContact O-N 3.37Å; R80-M97 HydrophobicContact CB-CE 4.45Å; R80-M97 HydrophobicContact CG-CE 3.77Å |
| 81 | E | 89.8 | Confident | 88.2 | Confident | 99 Ų | 99 | 73.6 Ų | 73.6 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 175.8 | -71.3 | 171.5 | 176.7 | 0 | 0 | 111.9 | K77 E78 K85 | K77-E81 WeakPolarHBondContact CE-OE1 3.42Å; K77-E81 IonicContact NZ-OE1 2.97Å; K77-E81 PolarHBondContact NZ-OE1 3.16Å; K77-E81 PolarHBondContact O-N 2.77Å; E78-E81 PolarHBondContact O-N 2.81Å; E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 PolarHBondContact O-N 3.31Å |
| 82 | R | 90.6 | Very high | 88.1 | Confident | 115 Ų | 115 | 73.8 Ų | 73.8 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 173 | -172.1 | 175.3 | 166.4 | -170.1 | -11 | 112.7 | E78 R80 K85 A86 D93 Q94 I95 | E78-R82 WeakPolarHBondContact O-CB 3.47Å; E78-R82 PolarHBondContact O-N 3.03Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R82-K85 PolarHBondContact O-N 3.47Å; R82-A86 WeakPolarHBondContact O-CB 3.26Å; R82-A86 PolarHBondContact O-N 2.86Å; R82-D93 IonicContact CZ-OD1 2.76Å; R82-D93 IonicContact CZ-OD2 2.65Å; R82-D93 IonicContact NE-OD1 2.71Å; R82-D93 IonicContact NE-OD2 2.68Å; R82-D93 PolarHBondContact NE-OD2 2.82Å; R82-D93 IonicContact NH2-OD1 3.47Å; R82-D93 PolarHBondContact NH2-OD1 3.48Å; R82-D93 IonicContact NH2-OD2 2.65Å; R82-D93 PolarHBondContact NH2-OD2 3.24Å; R82-Q94 PolarHBondContact NH2-O 2.76Å; R82-I95 HydrophobicContact CB-CD1 4.34Å; R82-I95 HydrophobicContact CG-CD1 3.88Å; R82-I95 HydrophobicContact CG-CG1 4.26Å |
| 83 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.3 | 176.3 | 59.7 | 0 | 0 | 0 | 111.9 | S66 M79 R80 A86 L87 I95 M97 V111 V113 | S66-L83 WeakPolarHBondContact O-CD2 3.18Å; M79-L83 PolarHBondContact O-N 3.03Å; R80-L83 PolarHBondContact O-N 3Å; L83-A86 PolarHBondContact O-N 3.44Å; L83-L87 HydrophobicContact CD1-CD1 4.48Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.65Å; L83-I95 VanDerWaalsContact CA-CD1 3.43Å; L83-I95 HydrophobicContact CB-CD1 3.92Å; L83-I95 HydrophobicContact CD1-CD1 4.2Å; L83-M97 HydrophobicContact CB-SD 4.07Å; L83-M97 HydrophobicContact CD2-CE 4.45Å; L83-M97 HydrophobicContact CD2-SD 3.72Å; L83-M97 HydrophobicContact CG-SD 4.47Å; L83-V111 HydrophobicContact CD1-CG1 4.11Å; L83-V113 HydrophobicContact CD1-CG2 3.53Å |
| 84 | L | 91.2 | Very high | 88.4 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 37% | 0.366 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -50.7 | 172.4 | -80 | 159.6 | 0 | 0 | 0 | 110.8 | R80 A86 L87 D88 | R80-L84 PolarHBondContact O-N 3.37Å; L84-A86 VanDerWaalsContact C-N 3.32Å; L84-A86 PolarHBondContact O-N 2.8Å; L84-L87 WeakPolarHBondContact O-CB 3.38Å; L84-L87 PolarHBondContact O-N 2.83Å; L84-L87 VanDerWaalsContact O-N 3.11Å; L84-D88 VanDerWaalsContact O-CG 3.23Å; L84-D88 PolarHBondContact O-N 3.18Å |
| 85 | K | 90.6 | Very high | 88.8 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 65% | 0.648 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.5 | -43.1 | 178.5 | -174.9 | 175.8 | -178.6 | 178.5 | 0 | 112.7 | E81 R82 L87 D88 S89 | E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 PolarHBondContact O-N 3.31Å; R82-K85 PolarHBondContact O-N 3.47Å; K85-L87 PolarHBondContact O-N 3Å; K85-D88 PolarHBondContact O-N 3.04Å; K85-S89 WeakPolarHBondContact O-CB 3.4Å; K85-S89 PolarHBondContact O-N 2.93Å; K85-S89 PolarHBondContact O-OG 2.73Å |
| 86 | A | 90 | Very high | 89 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R82 L83 L84 Q90 T91 D93 I95 | R82-A86 WeakPolarHBondContact O-CB 3.26Å; R82-A86 PolarHBondContact O-N 2.86Å; L83-A86 PolarHBondContact O-N 3.44Å; L84-A86 VanDerWaalsContact C-N 3.32Å; L84-A86 PolarHBondContact O-N 2.8Å; A86-Q90 PolarHBondContact O-N 2.9Å; A86-T91 PolarHBondContact O-N 3.43Å; A86-D93 HydrophobicContact CB-CB 3.77Å; A86-I95 HydrophobicContact CB-CD1 4.39Å |
| 87 | L | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.2 | -50.1 | 171.8 | -65.4 | 166.8 | 0 | 0 | 0 | 110.3 | Y40 L83 L84 K85 S89 Q90 V113 F126 | Y40-L87 HydrophobicContact CD2-CB 3.98Å; Y40-L87 HydrophobicContact CD2-CD1 3.88Å; Y40-L87 HydrophobicContact CD2-CG 4.43Å; Y40-L87 HydrophobicContact CE2-CB 3.66Å; Y40-L87 HydrophobicContact CE2-CD1 4.32Å; L83-L87 HydrophobicContact CD1-CD1 4.48Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.65Å; L84-L87 WeakPolarHBondContact O-CB 3.38Å; L84-L87 PolarHBondContact O-N 2.83Å; L84-L87 VanDerWaalsContact O-N 3.11Å; K85-L87 PolarHBondContact O-N 3Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-Q90 PolarHBondContact O-N 2.97Å; L87-V113 HydrophobicContact CD2-CG1 3.87Å; L87-V113 HydrophobicContact CG-CG1 4.45Å; L87-F126 HydrophobicContact CB-CE2 4.48Å; L87-F126 HydrophobicContact CB-CZ 4.41Å; L87-F126 HydrophobicContact CD2-CB 4.13Å; L87-F126 HydrophobicContact CD2-CD1 3.83Å; L87-F126 HydrophobicContact CD2-CD2 3.72Å; L87-F126 HydrophobicContact CD2-CE1 4.12Å; L87-F126 HydrophobicContact CD2-CE2 4.01Å; L87-F126 HydrophobicContact CD2-CG 3.61Å; L87-F126 HydrophobicContact CD2-CZ 4.21Å; L87-F126 WeakPolarHBondContact O-CZ 3.43Å |
| 88 | D | 90.5 | Very high | 89.1 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | -178 | -62.5 | -22.4 | 0 | 0 | 0 | 112.8 | Y40 L84 K85 Q90 | Y40-D88 WeakPolarHBondContact CE2-OD1 3.34Å; Y40-D88 PolarHBondContact OH-OD1 2.83Å; L84-D88 VanDerWaalsContact O-CG 3.23Å; L84-D88 PolarHBondContact O-N 3.18Å; K85-D88 PolarHBondContact O-N 3.04Å; D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.7Å |
| 89 | S | 87.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 53 Ų | 53 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.9 | 175.3 | 61.9 | 0 | 0 | 0 | 0 | 114 | K85 L87 T91 | K85-S89 WeakPolarHBondContact O-CB 3.4Å; K85-S89 PolarHBondContact O-N 2.93Å; K85-S89 PolarHBondContact O-OG 2.73Å; L87-S89 PolarHBondContact O-N 2.92Å; S89-T91 PolarHBondContact O-N 2.82Å; S89-T91 PolarHBondContact OG-OG1 3.08Å |
| 90 | Q | 88.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.7 | -179.9 | -55.6 | -174.6 | 2.7 | 0 | 0 | 113.6 | A86 L87 D88 P115 V123 F126 | A86-Q90 PolarHBondContact O-N 2.9Å; L87-Q90 PolarHBondContact O-N 2.97Å; D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.7Å; Q90-P115 WeakPolarHBondContact O-CG 3.46Å; Q90-V123 HydrophobicContact CB-CG2 4.18Å; Q90-V123 HydrophobicContact CG-CG2 4.47Å; Q90-F126 HydrophobicContact CG-CZ 4.27Å |
| 91 | T | 86 | Confident | 89.3 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | trans | -108.4 | 144.3 | -177.8 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | A86 S89 | A86-T91 PolarHBondContact O-N 3.43Å; S89-T91 PolarHBondContact O-N 2.82Å; S89-T91 PolarHBondContact OG-OG1 3.08Å | ||
| 92 | P | 87.5 | Confident | 89.3 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | trans | -65.1 | 136.9 | 169 | 31.3 | -36.3 | 0 | 0 | 0 | 110.6 | V113 L263 | P92-V113 VanDerWaalsContact CA-O 3.26Å; P92-V113 WeakPolarHBondContact CA-O 3.42Å; P92-L263 HydrophobicContact CB-CD1 4.05Å; P92-L263 HydrophobicContact CB-CD2 4.25Å; P92-L263 HydrophobicContact CG-CD1 4.29Å; P92-L263 HydrophobicContact CG-CD2 4.01Å | ||
| 93 | D | 87.6 | Confident | 89.1 | Confident | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.1 | 174.9 | -162 | 10.1 | 0 | 0 | 0 | 112.1 | R82 A86 I95 V113 | R82-D93 IonicContact CZ-OD1 2.76Å; R82-D93 IonicContact CZ-OD2 2.65Å; R82-D93 IonicContact NE-OD1 2.71Å; R82-D93 IonicContact NE-OD2 2.68Å; R82-D93 PolarHBondContact NE-OD2 2.82Å; R82-D93 IonicContact NH2-OD1 3.47Å; R82-D93 PolarHBondContact NH2-OD1 3.48Å; R82-D93 IonicContact NH2-OD2 2.65Å; R82-D93 PolarHBondContact NH2-OD2 3.24Å; A86-D93 HydrophobicContact CB-CB 3.77Å; D93-I95 HydrophobicContact CB-CD1 4.39Å; D93-I95 HydrophobicContact CB-CG1 4.25Å; D93-I95 WeakPolarHBondContact OD2-CG1 3.32Å; D93-V113 PolarHBondContact N-O 2.83Å; D93-V113 PolarHBondContact O-N 3.5Å |
| 94 | Q | 88.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 61 Ų | 61 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.9 | 175.1 | -79.7 | -178.5 | 19.5 | 0 | 0 | 109.5 | R82 L110 W262 | R82-Q94 PolarHBondContact NH2-O 2.76Å; Q94-L110 HydrophobicContact CB-CD1 4.29Å; Q94-W262 HydrophobicContact CB-CH2 4.47Å; Q94-W262 HydrophobicContact CG-CE3 4.41Å; Q94-W262 HydrophobicContact CG-CH2 3.22Å; Q94-W262 HydrophobicContact CG-CZ2 4.31Å; Q94-W262 HydrophobicContact CG-CZ3 3.33Å |
| 95 | I | 89.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113.6 | -171 | -48.2 | 175.9 | 0 | 0 | 0 | 108.9 | M79 R82 L83 A86 D93 M97 V111 | M79-I95 HydrophobicContact CB-CG2 4.48Å; R82-I95 HydrophobicContact CB-CD1 4.34Å; R82-I95 HydrophobicContact CG-CD1 3.88Å; R82-I95 HydrophobicContact CG-CG1 4.26Å; L83-I95 VanDerWaalsContact CA-CD1 3.43Å; L83-I95 HydrophobicContact CB-CD1 3.92Å; L83-I95 HydrophobicContact CD1-CD1 4.2Å; A86-I95 HydrophobicContact CB-CD1 4.39Å; D93-I95 HydrophobicContact CB-CD1 4.39Å; D93-I95 HydrophobicContact CB-CG1 4.25Å; D93-I95 WeakPolarHBondContact OD2-CG1 3.32Å; I95-M97 HydrophobicContact CB-CG 4.47Å; I95-M97 HydrophobicContact CG2-CG 3.7Å; I95-M97 HydrophobicContact CG2-SD 4.16Å; I95-V111 PolarHBondContact N-O 2.88Å; I95-V111 WeakPolarHBondContact O-CB 3.2Å; I95-V111 PolarHBondContact O-N 3.04Å |
| 96 | E | 89.6 | Confident | 88.2 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130 | 167.4 | -58.8 | -174.2 | 148.5 | 0 | 0 | 109.1 | M79 L109 L110 I133 K137 | M79-E96 VanDerWaalsContact CE-O 3.28Å; M79-E96 WeakPolarHBondContact CE-O 3.41Å; E96-L109 CarbonylContact C-O 3.58Å; E96-L109 WeakPolarHBondContact CA-O 3.28Å; E96-L110 HydrophobicContact CG-CD1 4.01Å; E96-I133 HydrophobicContact CB-CD1 4.07Å; E96-I133 HydrophobicContact CG-CD1 3.75Å; E96-K137 WeakPolarHBondContact OE2-CE 3.25Å; E96-K137 IonicContact OE2-NZ 2.71Å; E96-K137 PolarHBondContact OE2-NZ 3.11Å |
| 97 | M | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144 | -179.9 | -63.1 | -165.2 | 68.8 | 0 | 0 | 111.1 | Y71 T75 M79 R80 L83 I95 F99 L109 V111 | Y71-M97 HydrophobicContact CE1-CE 3.97Å; T75-M97 HydrophobicContact CG2-CE 4.24Å; M79-M97 HydrophobicContact CB-CE 4.2Å; M79-M97 HydrophobicContact CB-CG 4.19Å; R80-M97 HydrophobicContact CB-CE 4.45Å; R80-M97 HydrophobicContact CG-CE 3.77Å; L83-M97 HydrophobicContact CB-SD 4.07Å; L83-M97 HydrophobicContact CD2-CE 4.45Å; L83-M97 HydrophobicContact CD2-SD 3.72Å; L83-M97 HydrophobicContact CG-SD 4.47Å; I95-M97 HydrophobicContact CB-CG 4.47Å; I95-M97 HydrophobicContact CG2-CG 3.7Å; I95-M97 HydrophobicContact CG2-SD 4.16Å; M97-F99 HydrophobicContact CB-CD2 4.07Å; M97-F99 HydrophobicContact CB-CE2 3.56Å; M97-F99 HydrophobicContact CB-CZ 3.88Å; M97-F99 HydrophobicContact CE-CE1 4.33Å; M97-F99 HydrophobicContact CE-CZ 4.18Å; M97-F99 HydrophobicContact CG-CE2 4.4Å; M97-F99 HydrophobicContact CG-CZ 4.4Å; M97-F99 HydrophobicContact SD-CE2 4.35Å; M97-F99 HydrophobicContact SD-CZ 3.8Å; M97-L109 PolarHBondContact N-O 2.98Å; M97-L109 PolarHBondContact O-N 2.77Å; M97-V111 HydrophobicContact CB-CG2 4.26Å; M97-V111 HydrophobicContact CG-CG2 4.13Å; M97-V111 HydrophobicContact SD-CG2 4.16Å |
| 98 | L | 89.4 | Confident | 88 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.2 | 167.3 | -174.9 | 155.9 | 0 | 0 | 0 | 109.6 | Q74 T75 Y100 P106 W108 F140 | Q74-L98 HydrophobicContact CB-CD1 3.84Å; Q74-L98 HydrophobicContact CB-CD2 3.83Å; Q74-L98 HydrophobicContact CB-CG 4.48Å; T75-L98 WeakPolarHBondContact CB-O 3.46Å; T75-L98 WeakPolarHBondContact CG2-O 3.45Å; T75-L98 PolarHBondContact OG1-O 2.9Å; L98-Y100 HydrophobicContact CD2-CD2 3.99Å; L98-Y100 HydrophobicContact CD2-CE2 3.43Å; L98-Y100 VanDerWaalsContact CD2-CE2 3.43Å; L98-P106 HydrophobicContact CD1-CB 4.38Å; L98-P106 HydrophobicContact CD2-CB 3.98Å; L98-P106 HydrophobicContact CG-CB 4.36Å; L98-W108 HydrophobicContact CB-CD2 4.26Å; L98-W108 HydrophobicContact CB-CE3 4.36Å; L98-W108 HydrophobicContact CD1-CZ2 4.37Å; L98-F140 HydrophobicContact CD1-CE1 4.48Å; L98-F140 HydrophobicContact CD1-CE2 3.39Å; L98-F140 HydrophobicContact CD1-CZ 3.36Å |
| 99 | F | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 166.6 | 177.2 | -70.3 | -68.7 | 0 | 0 | 0 | 111 | C67 F70 Y71 M97 P106 F107 L109 V111 | C67-F99 HydrophobicContact CB-CE1 3.99Å; C67-F99 HydrophobicContact CB-CZ 4.19Å; F70-F99 HydrophobicContact CB-CB 4.09Å; F70-F99 HydrophobicContact CB-CD1 3.37Å; F70-F99 HydrophobicContact CB-CE1 4.05Å; F70-F99 HydrophobicContact CB-CG 4.03Å; F70-F99 HydrophobicContact CG-CD1 4.45Å; F70-F99 WeakPolarHBondContact O-CA 3.43Å; Y71-F99 HydrophobicContact CD1-CD1 4.29Å; Y71-F99 AromaticContact CD1-CE1 4Å; Y71-F99 HydrophobicContact CD1-CE1 4Å; Y71-F99 AromaticContact CE1-CE1 3.94Å; Y71-F99 HydrophobicContact CE1-CE1 3.94Å; M97-F99 HydrophobicContact CB-CD2 4.07Å; M97-F99 HydrophobicContact CB-CE2 3.56Å; M97-F99 HydrophobicContact CB-CZ 3.88Å; M97-F99 HydrophobicContact CE-CE1 4.33Å; M97-F99 HydrophobicContact CE-CZ 4.18Å; M97-F99 HydrophobicContact CG-CE2 4.4Å; M97-F99 HydrophobicContact CG-CZ 4.4Å; M97-F99 HydrophobicContact SD-CE2 4.35Å; M97-F99 HydrophobicContact SD-CZ 3.8Å; F99-P106 CarbonylContact O-C 3.6Å; F99-P106 WeakPolarHBondContact O-CA 3.49Å; F99-F107 HydrophobicContact CB-CD1 4.29Å; F99-F107 HydrophobicContact CB-CE1 3.76Å; F99-F107 HydrophobicContact CB-CZ 4.3Å; F99-F107 PolarHBondContact N-O 3.22Å; F99-F107 WeakPolarHBondContact O-CD1 3.34Å; F99-F107 PolarHBondContact O-N 3.04Å; F99-L109 HydrophobicContact CD2-CB 3.94Å; F99-L109 HydrophobicContact CD2-CD1 3.75Å; F99-L109 HydrophobicContact CD2-CG 3.99Å; F99-L109 HydrophobicContact CE2-CB 4.19Å; F99-L109 HydrophobicContact CE2-CD1 4.25Å; F99-V111 HydrophobicContact CE2-CG2 3.53Å; F99-V111 HydrophobicContact CZ-CG2 3.94Å |
| 100 | Y | 90.1 | Very high | 88 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.1 | 176.7 | -71.2 | -105.1 | 0 | 0 | 0 | 110.2 | F70 E73 Q74 L98 R104 P106 | F70-Y100 WeakPolarHBondContact CD1-O 3.49Å; F70-Y100 PolarHBondContact O-N 3.46Å; E73-Y100 PolarHBondContact N-OH 2.74Å; Q74-Y100 WeakPolarHBondContact CB-OH 3.48Å; Q74-Y100 WeakPolarHBondContact CG-OH 3.33Å; Q74-Y100 PolarHBondContact N-OH 3.35Å; L98-Y100 HydrophobicContact CD2-CD2 3.99Å; L98-Y100 HydrophobicContact CD2-CE2 3.43Å; L98-Y100 VanDerWaalsContact CD2-CE2 3.43Å; Y100-R104 WeakPolarHBondContact CD1-O 3.44Å; Y100-P106 HydrophobicContact CE1-CB 4.19Å |
| 101 | K | 88.8 | Confident | 88 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | trans | -75.1 | 171.3 | 174 | -63.5 | -165.9 | -172.6 | -147.8 | 0 | 111.3 | L52 N103 R104 L105 F107 | L52-K101 WeakPolarHBondContact O-CD 3.18Å; L52-K101 VanDerWaalsContact O-CE 3.3Å; L52-K101 WeakPolarHBondContact O-CE 3.28Å; L52-K101 PolarHBondContact O-NZ 3.29Å; K101-N103 VanDerWaalsContact CB-OD1 3.25Å; K101-N103 WeakPolarHBondContact CB-OD1 3.47Å; K101-N103 PolarHBondContact O-N 2.88Å; K101-N103 VanDerWaalsContact O-N 3.09Å; K101-R104 WeakPolarHBondContact O-CA 3.44Å; K101-R104 PolarHBondContact O-N 3.17Å; K101-L105 PolarHBondContact N-O 2.97Å; K101-F107 HydrophobicContact CB-CE1 4.32Å; K101-F107 HydrophobicContact CD-CD1 4.26Å; K101-F107 HydrophobicContact CD-CE1 4.29Å; K101-F107 HydrophobicContact CD-CG 4.45Å; K101-F107 HydrophobicContact CD-CZ 4.43Å; K101-F107 VanDerWaalsContact CE-CG 3.42Å; K101-F107 HydrophobicContact CG-CD1 3.46Å; K101-F107 VanDerWaalsContact CG-CD1 3.46Å; K101-F107 HydrophobicContact CG-CD2 4.49Å; K101-F107 HydrophobicContact CG-CE1 3.28Å; K101-F107 HydrophobicContact CG-CE2 4.29Å; K101-F107 HydrophobicContact CG-CG 4.12Å; K101-F107 HydrophobicContact CG-CZ 3.74Å | ||
| 102 | K | 88.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 43% | 0.426 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.2 | 174.7 | -163.5 | 170.6 | -172.8 | 174.2 | 0 | 113.5 | T53 G54 Y55 E59 R104 | T53-K102 PolarHBondContact O-N 3.49Å; G54-K102 WeakPolarHBondContact O-CD 3.39Å; Y55-K102 HydrophobicContact CD1-CD 4.09Å; Y55-K102 HydrophobicContact CD1-CG 4.37Å; Y55-K102 HydrophobicContact CD2-CB 3.78Å; Y55-K102 HydrophobicContact CD2-CD 4.42Å; Y55-K102 HydrophobicContact CD2-CG 4.29Å; Y55-K102 HydrophobicContact CE1-CD 4.27Å; Y55-K102 HydrophobicContact CE1-CG 4.1Å; Y55-K102 HydrophobicContact CE2-CB 3.55Å; Y55-K102 HydrophobicContact CE2-CG 4.03Å; Y55-K102 HydrophobicContact CG-CB 4.38Å; Y55-K102 HydrophobicContact CG-CD 4.19Å; Y55-K102 HydrophobicContact CG-CG 4.48Å; E59-K102 WeakPolarHBondContact OE1-CE 3.37Å; E59-K102 IonicContact OE1-NZ 3.12Å; E59-K102 PolarHBondContact OE1-NZ 3.05Å; E59-K102 IonicContact OE2-NZ 2.67Å; E59-K102 PolarHBondContact OE2-NZ 3.23Å; K102-R104 VanDerWaalsContact C-N 3.35Å |
| 103 | N | 86.6 | Confident | 88.3 | Confident | 105 Ų | 105 | 44.8 Ų | 44.8 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 20.3 | 173.3 | 71 | -21.3 | 0 | 0 | 0 | 114.1 | K101 L105 | K101-N103 VanDerWaalsContact CB-OD1 3.25Å; K101-N103 WeakPolarHBondContact CB-OD1 3.47Å; K101-N103 PolarHBondContact O-N 2.88Å; K101-N103 VanDerWaalsContact O-N 3.09Å; N103-L105 WeakPolarHBondContact ND2-CD1 3.25Å; N103-L105 PolarHBondContact O-N 3.03Å |
| 104 | R | 82.5 | Confident | 88.3 | Confident | 212 Ų | 212 | 43 Ų | 43 | 80% | 0.8 | 20% | 0.2 | S | C | * | . | trans | 57.4 | 12.9 | 179.6 | -60.1 | -171 | 179.5 | -132.5 | 3.1 | 117 | Y100 K101 K102 P106 | Y100-R104 WeakPolarHBondContact CD1-O 3.44Å; K101-R104 WeakPolarHBondContact O-CA 3.44Å; K101-R104 PolarHBondContact O-N 3.17Å; K102-R104 VanDerWaalsContact C-N 3.35Å; R104-P106 WeakPolarHBondContact O-CD 3.24Å | ||
| 105 | L | 85 | Confident | 88.4 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | trans | -67.5 | 126.8 | 169.7 | -69.2 | 178 | 0 | 0 | 0 | 110.5 | K101 N103 | K101-L105 PolarHBondContact N-O 2.97Å; N103-L105 WeakPolarHBondContact ND2-CD1 3.25Å; N103-L105 PolarHBondContact O-N 3.03Å | ||
| 106 | P | 86.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.8 | 171.6 | 30.7 | -33.6 | 0 | 0 | 0 | 110.3 | L98 F99 Y100 R104 | L98-P106 HydrophobicContact CD1-CB 4.38Å; L98-P106 HydrophobicContact CD2-CB 3.98Å; L98-P106 HydrophobicContact CG-CB 4.36Å; F99-P106 CarbonylContact O-C 3.6Å; F99-P106 WeakPolarHBondContact O-CA 3.49Å; Y100-P106 HydrophobicContact CE1-CB 4.19Å; R104-P106 WeakPolarHBondContact O-CD 3.24Å |
| 107 | F | 87.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.4 | 178.8 | 71.6 | -58.6 | 0 | 0 | 0 | 110.6 | L52 F99 K101 L109 | L52-F107 HydrophobicContact CD1-CD2 4.42Å; L52-F107 HydrophobicContact CD1-CE2 3.87Å; L52-F107 HydrophobicContact CG-CE2 3.97Å; F99-F107 HydrophobicContact CB-CD1 4.29Å; F99-F107 HydrophobicContact CB-CE1 3.76Å; F99-F107 HydrophobicContact CB-CZ 4.3Å; F99-F107 PolarHBondContact N-O 3.22Å; F99-F107 WeakPolarHBondContact O-CD1 3.34Å; F99-F107 PolarHBondContact O-N 3.04Å; K101-F107 HydrophobicContact CB-CE1 4.32Å; K101-F107 HydrophobicContact CD-CD1 4.26Å; K101-F107 HydrophobicContact CD-CE1 4.29Å; K101-F107 HydrophobicContact CD-CG 4.45Å; K101-F107 HydrophobicContact CD-CZ 4.43Å; K101-F107 VanDerWaalsContact CE-CG 3.42Å; K101-F107 HydrophobicContact CG-CD1 3.46Å; K101-F107 VanDerWaalsContact CG-CD1 3.46Å; K101-F107 HydrophobicContact CG-CD2 4.49Å; K101-F107 HydrophobicContact CG-CE1 3.28Å; K101-F107 HydrophobicContact CG-CE2 4.29Å; K101-F107 HydrophobicContact CG-CG 4.12Å; K101-F107 HydrophobicContact CG-CZ 3.74Å; F107-L109 HydrophobicContact CD2-CD2 3.74Å; F107-L109 HydrophobicContact CD2-CG 4.02Å; F107-L109 HydrophobicContact CE2-CD1 3.73Å; F107-L109 HydrophobicContact CE2-CD2 3.54Å; F107-L109 HydrophobicContact CE2-CG 3.69Å; F107-L109 HydrophobicContact CZ-CD1 3.91Å; F107-L109 HydrophobicContact CZ-CD2 4.5Å; F107-L109 HydrophobicContact CZ-CG 4.22Å |
| 108 | W | 88.5 | Confident | 87.2 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.8 | -178.4 | -74.7 | 91.4 | 0 | 0 | 0 | 110.5 | M79 L98 I133 T134 K137 F140 | M79-W108 HydrophobicContact CE-CZ3 4.27Å; M79-W108 HydrophobicContact SD-CZ3 4.46Å; L98-W108 HydrophobicContact CB-CD2 4.26Å; L98-W108 HydrophobicContact CB-CE3 4.36Å; L98-W108 HydrophobicContact CD1-CZ2 4.37Å; W108-I133 HydrophobicContact CB-CD1 4.35Å; W108-I133 HydrophobicContact CB-CG1 3.7Å; W108-I133 WeakPolarHBondContact O-CG1 3.39Å; W108-I133 PolarHBondContact O-N 2.81Å; W108-T134 PolarHBondContact N-OG1 3.46Å; W108-T134 PolarHBondContact O-N 2.86Å; W108-T134 PolarHBondContact O-OG1 3.31Å; W108-K137 HydrophobicContact CB-CG 4.13Å; W108-K137 HydrophobicContact CD2-CB 4.39Å; W108-K137 HydrophobicContact CD2-CD 3.87Å; W108-K137 HydrophobicContact CD2-CG 3.74Å; W108-K137 HydrophobicContact CE3-CD 4.12Å; W108-K137 HydrophobicContact CE3-CG 4.32Å; W108-K137 HydrophobicContact CG-CB 4.06Å; W108-K137 HydrophobicContact CG-CD 4.34Å; W108-K137 HydrophobicContact CG-CG 3.66Å; W108-K137 HydrophobicContact CH2-CD 4.37Å; W108-K137 HydrophobicContact CZ2-CD 4.12Å; W108-K137 HydrophobicContact CZ3-CD 4.37Å; W108-F140 HydrophobicContact CZ2-CZ 4.21Å; W108-F140 AromaticContact NE1-CE2 3.45Å; W108-F140 AromaticContact NE1-CZ 3.69Å |
| 109 | L | 89.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.4 | 171.3 | -62.3 | -174.9 | 0 | 0 | 0 | 110.8 | L52 E96 M97 F99 F107 F130 R131 D132 | L52-L109 HydrophobicContact CD1-CD2 4.29Å; L52-L109 HydrophobicContact CD2-CD1 4.26Å; L52-L109 HydrophobicContact CD2-CD2 3.99Å; L52-L109 HydrophobicContact CG-CD2 4.46Å; E96-L109 CarbonylContact C-O 3.58Å; E96-L109 WeakPolarHBondContact CA-O 3.28Å; M97-L109 PolarHBondContact N-O 2.98Å; M97-L109 PolarHBondContact O-N 2.77Å; F99-L109 HydrophobicContact CD2-CB 3.94Å; F99-L109 HydrophobicContact CD2-CD1 3.75Å; F99-L109 HydrophobicContact CD2-CG 3.99Å; F99-L109 HydrophobicContact CE2-CB 4.19Å; F99-L109 HydrophobicContact CE2-CD1 4.25Å; F107-L109 HydrophobicContact CD2-CD2 3.74Å; F107-L109 HydrophobicContact CD2-CG 4.02Å; F107-L109 HydrophobicContact CE2-CD1 3.73Å; F107-L109 HydrophobicContact CE2-CD2 3.54Å; F107-L109 HydrophobicContact CE2-CG 3.69Å; F107-L109 HydrophobicContact CZ-CD1 3.91Å; F107-L109 HydrophobicContact CZ-CD2 4.5Å; F107-L109 HydrophobicContact CZ-CG 4.22Å; L109-F130 HydrophobicContact CD1-CB 4.29Å; L109-F130 HydrophobicContact CD1-CD1 3.82Å; L109-F130 HydrophobicContact CD1-CG 4.44Å; L109-R131 CarbonylContact C-O 3.57Å; L109-R131 WeakPolarHBondContact CA-O 3.46Å; L109-D132 HydrophobicContact CD2-CB 4.19Å |
| 110 | L | 88.5 | Confident | 85.4 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.2 | 154.1 | -178.7 | 65.7 | 0 | 0 | 0 | 107.5 | Q94 E96 F130 R131 I133 | Q94-L110 HydrophobicContact CB-CD1 4.29Å; E96-L110 HydrophobicContact CG-CD1 4.01Å; L110-F130 WeakPolarHBondContact O-CA 3.46Å; L110-R131 HydrophobicContact CB-CB 4.39Å; L110-R131 PolarHBondContact N-O 3.47Å; L110-R131 PolarHBondContact O-N 3.44Å; L110-I133 HydrophobicContact CB-CD1 4.35Å; L110-I133 HydrophobicContact CB-CG2 4.07Å |
| 111 | V | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.6 | 172.6 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | L83 I95 M97 F99 V113 L128 F130 | L83-V111 HydrophobicContact CD1-CG1 4.11Å; I95-V111 PolarHBondContact N-O 2.88Å; I95-V111 WeakPolarHBondContact O-CB 3.2Å; I95-V111 PolarHBondContact O-N 3.04Å; M97-V111 HydrophobicContact CB-CG2 4.26Å; M97-V111 HydrophobicContact CG-CG2 4.13Å; M97-V111 HydrophobicContact SD-CG2 4.16Å; F99-V111 HydrophobicContact CE2-CG2 3.53Å; F99-V111 HydrophobicContact CZ-CG2 3.94Å; V111-V113 HydrophobicContact CG1-CG2 4.2Å; V111-L128 HydrophobicContact CG1-CD2 4.32Å; V111-F130 HydrophobicContact CG1-CD1 4.48Å; V111-F130 HydrophobicContact CG1-CE1 3.99Å; V111-F130 HydrophobicContact CG1-CZ 4.44Å; V111-F130 HydrophobicContact CG2-CD1 4.12Å; V111-F130 HydrophobicContact CG2-CE1 3.99Å |
| 112 | C | 89.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 10% | 0.095 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 97.7 | -174.4 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | L128 A129 W262 | C112-L128 WeakPolarHBondContact O-CA 3.1Å; C112-A129 HydrophobicContact CB-CB 3.91Å; C112-A129 WeakPolarHBondContact CB-O 3.33Å; C112-A129 PolarHBondContact N-O 3.39Å; C112-A129 PolarHBondContact O-N 3.23Å; C112-W262 HydrophobicContact CB-CE3 4.3Å; C112-W262 HydrophobicContact CB-CH2 3.24Å; C112-W262 HydrophobicContact CB-CZ2 3.88Å; C112-W262 HydrophobicContact CB-CZ3 3.44Å; C112-W262 VanDerWaalsContact CB-CZ3 3.44Å; C112-W262 WeakPolarHBondContact SG-CZ3 3.48Å |
| 113 | V | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.1 | -175.6 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | L83 L87 P92 D93 V111 F126 L128 W262 | L83-V113 HydrophobicContact CD1-CG2 3.53Å; L87-V113 HydrophobicContact CD2-CG1 3.87Å; L87-V113 HydrophobicContact CG-CG1 4.45Å; P92-V113 VanDerWaalsContact CA-O 3.26Å; P92-V113 WeakPolarHBondContact CA-O 3.42Å; D93-V113 PolarHBondContact N-O 2.83Å; D93-V113 PolarHBondContact O-N 3.5Å; V111-V113 HydrophobicContact CG1-CG2 4.2Å; V113-F126 HydrophobicContact CG1-CD1 4.5Å; V113-L128 HydrophobicContact CB-CD2 4.29Å; V113-L128 HydrophobicContact CG1-CD2 4.17Å; V113-L128 HydrophobicContact CG2-CD2 3.89Å; V113-W262 WeakPolarHBondContact O-CZ2 3.46Å |
| 114 | A | 88.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F126 L127 I266 | A114-F126 WeakPolarHBondContact O-CA 3.33Å; A114-L127 PolarHBondContact N-O 2.89Å; A114-L127 PolarHBondContact O-N 3.45Å; A114-I266 HydrophobicContact CB-CD1 3.26Å |
| 115 | P | 89.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.7 | 176.8 | 32.8 | -36.7 | 0 | 0 | 0 | 112.2 | Q90 V123 F126 | Q90-P115 WeakPolarHBondContact O-CG 3.46Å; P115-V123 HydrophobicContact CB-CB 4.44Å; P115-V123 HydrophobicContact CB-CG1 3.7Å; P115-V123 HydrophobicContact CB-CG2 3.77Å; P115-F126 HydrophobicContact CB-CD1 4.35Å; P115-F126 HydrophobicContact CB-CE1 4.16Å |
| 116 | V | 84.7 | Confident | 85 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.8 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | F15 I19 V124 L125 L127 I266 | F15-V116 HydrophobicContact CZ-CG1 3.81Å; I19-V116 HydrophobicContact CD1-CG1 4.13Å; V116-V124 PolarHBondContact O-N 2.87Å; V116-L125 HydrophobicContact CB-CB 4.18Å; V116-L125 WeakPolarHBondContact CB-O 3.3Å; V116-L125 HydrophobicContact CG2-CB 4.39Å; V116-L125 PolarHBondContact N-O 2.94Å; V116-L127 HydrophobicContact CG2-CB 4.27Å; V116-I266 HydrophobicContact CG2-CG2 4.23Å |
| 117 | R | 81.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 34 Ų | 34 | 40% | 0.4 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 146.1 | -172.4 | -68.1 | -179.4 | -177.9 | -80.4 | -5.8 | 113.7 | E121 E122 V123 Y269 | R117-E121 WeakPolarHBondContact CD-O 3.46Å; R117-E121 WeakPolarHBondContact CG-O 3.26Å; R117-E121 PolarHBondContact NH1-O 3.25Å; R117-E122 CarbonylContact C-O 3.44Å; R117-E122 VanDerWaalsContact CA-O 3.28Å; R117-E122 WeakPolarHBondContact CA-O 3.44Å; R117-V123 HydrophobicContact CG-CG2 3.94Å; R117-Y269 WeakPolarHBondContact O-CB 3.27Å; R117-Y269 PolarHBondContact O-N 3.42Å |
| 118 | N | 75.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | trans | -87.8 | -174.7 | 175.9 | 72.9 | 7.1 | 0 | 0 | 0 | 115 | R36 C120 E121 E122 V124 Y269 | R36-N118 PolarHBondContact NH2-ND2 2.83Å; N118-C120 PolarHBondContact O-N 3.1Å; N118-C120 VanDerWaalsContact OD1-C 3.24Å; N118-C120 WeakPolarHBondContact OD1-CA 3.45Å; N118-C120 WeakPolarHBondContact OD1-CB 3.36Å; N118-C120 PolarHBondContact OD1-N 2.76Å; N118-E121 WeakPolarHBondContact O-CA 3.49Å; N118-E121 PolarHBondContact O-N 2.8Å; N118-E121 PolarHBondContact OD1-N 3.01Å; N118-E121 VanDerWaalsContact OD1-N 3.12Å; N118-E122 PolarHBondContact N-O 2.72Å; N118-E122 PolarHBondContact ND2-OE2 2.79Å; N118-E122 WeakPolarHBondContact OD1-CB 3.28Å; N118-E122 PolarHBondContact OD1-N 2.86Å; N118-E122 PolarHBondContact OD1-O 2.89Å; N118-V124 HydrophobicContact CB-CG2 3.69Å; N118-Y269 CarbonylContact C-O 3.48Å; N118-Y269 WeakPolarHBondContact CA-O 3.43Å; N118-Y269 HydrophobicContact CB-CD1 3.45Å; N118-Y269 VanDerWaalsContact CB-CD1 3.45Å; N118-Y269 HydrophobicContact CB-CE1 3.98Å; N118-Y269 HydrophobicContact CB-CG 3.91Å | ||
| 119 | E | 67.5 | Low | 85.4 | Confident | 100 Ų | 100 | 32.3 Ų | 32.3 | 47% | 0.467 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.7 | 176.7 | -60.9 | -173.9 | 147.9 | 0 | 0 | 112.8 | E121 Y269 K270 Q271 | E119-E121 VanDerWaalsContact C-N 3.25Å; E119-Y269 PolarHBondContact N-O 3.48Å; E119-K270 HydrophobicContact CG-CB 3.88Å; E119-K270 HydrophobicContact CG-CD 4.42Å; E119-K270 HydrophobicContact CG-CG 3.87Å; E119-K270 WeakPolarHBondContact OE1-CA 3.49Å; E119-Q271 PolarHBondContact OE1-N 2.92Å |
| 120 | C | 75.6 | Confident | 85.4 | Confident | 99 Ų | 99 | 32.8 Ų | 32.8 | 67% | 0.669 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 12.8 | 173.5 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | N118 E122 | N118-C120 PolarHBondContact O-N 3.1Å; N118-C120 VanDerWaalsContact OD1-C 3.24Å; N118-C120 WeakPolarHBondContact OD1-CA 3.45Å; N118-C120 WeakPolarHBondContact OD1-CB 3.36Å; N118-C120 PolarHBondContact OD1-N 2.76Å; C120-E122 HydrophobicContact CB-CG 4.04Å; C120-E122 PolarHBondContact O-N 2.67Å |
| 121 | E | 76.7 | Confident | 85.3 | Confident | 133 Ų | 133 | 37 Ų | 37 | 62% | 0.621 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 60 | 5.3 | -176.2 | -51.5 | -159.9 | 143.5 | 0 | 0 | 116.7 | R117 N118 E119 | R117-E121 WeakPolarHBondContact CD-O 3.46Å; R117-E121 WeakPolarHBondContact CG-O 3.26Å; R117-E121 PolarHBondContact NH1-O 3.25Å; N118-E121 WeakPolarHBondContact O-CA 3.49Å; N118-E121 PolarHBondContact O-N 2.8Å; N118-E121 PolarHBondContact OD1-N 3.01Å; N118-E121 VanDerWaalsContact OD1-N 3.12Å; E119-E121 VanDerWaalsContact C-N 3.25Å |
| 122 | E | 82.9 | Confident | 85.1 | Confident | 97 Ų | 97 | 40.4 Ų | 40.4 | 45% | 0.453 | 20% | 0.199 | S | C | . | . | trans | -69.1 | 138.2 | 175.8 | -48.2 | 174.2 | 113.4 | 0 | 0 | 111.1 | R36 R117 N118 C120 | R36-E122 IonicContact CZ-OE2 3.98Å; R36-E122 IonicContact NH1-OE2 3.51Å; R36-E122 VanDerWaalsContact NH2-CD 3.34Å; R36-E122 IonicContact NH2-OE1 3.32Å; R36-E122 IonicContact NH2-OE2 3.99Å; R36-E122 PolarHBondContact NH2-OE2 3.15Å; R117-E122 CarbonylContact C-O 3.44Å; R117-E122 VanDerWaalsContact CA-O 3.28Å; R117-E122 WeakPolarHBondContact CA-O 3.44Å; N118-E122 PolarHBondContact N-O 2.72Å; N118-E122 PolarHBondContact ND2-OE2 2.79Å; N118-E122 WeakPolarHBondContact OD1-CB 3.28Å; N118-E122 PolarHBondContact OD1-N 2.86Å; N118-E122 PolarHBondContact OD1-O 2.89Å; C120-E122 HydrophobicContact CB-CG 4.04Å; C120-E122 PolarHBondContact O-N 2.67Å | ||
| 123 | V | 86.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.6 | 173 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | A35 Q90 P115 R117 L125 F126 | A35-V123 HydrophobicContact CB-CB 4.42Å; A35-V123 HydrophobicContact CB-CG1 3.68Å; Q90-V123 HydrophobicContact CB-CG2 4.18Å; Q90-V123 HydrophobicContact CG-CG2 4.47Å; P115-V123 HydrophobicContact CB-CB 4.44Å; P115-V123 HydrophobicContact CB-CG1 3.7Å; P115-V123 HydrophobicContact CB-CG2 3.77Å; R117-V123 HydrophobicContact CG-CG2 3.94Å; V123-L125 WeakPolarHBondContact CG1-O 3.12Å; V123-F126 HydrophobicContact CG1-CE1 4.34Å; V123-F126 HydrophobicContact CG1-CZ 4.44Å |
| 124 | V | 86.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -38.6 | -178.7 | -156.6 | 0 | 0 | 0 | 0 | 111.8 | N34 A35 V116 N118 Y269 | N34-V124 PolarHBondContact OD1-O 2.84Å; A35-V124 PolarHBondContact N-O 3.5Å; V116-V124 PolarHBondContact O-N 2.87Å; N118-V124 HydrophobicContact CB-CG2 3.69Å; V124-Y269 HydrophobicContact CB-CD2 4.43Å; V124-Y269 HydrophobicContact CG1-CE2 4.24Å; V124-Y269 HydrophobicContact CG2-CD2 4.09Å; V124-Y269 HydrophobicContact CG2-CE2 4.37Å; V124-Y269 HydrophobicContact CG2-CG 4.37Å |
| 125 | L | 89.5 | Confident | 83.8 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159.9 | 177.1 | -65.1 | 113.5 | 0 | 0 | 0 | 110.7 | F15 L16 L32 A33 V43 V116 V123 | F15-L125 HydrophobicContact CE1-CD1 4.04Å; L16-L125 HydrophobicContact CD2-CD2 4.32Å; L32-L125 HydrophobicContact CB-CD2 4.28Å; A33-L125 CarbonylContact O-C 3.52Å; A33-L125 WeakPolarHBondContact O-CA 3.31Å; A33-L125 WeakPolarHBondContact O-CB 3.48Å; V43-L125 HydrophobicContact CG2-CD2 3.75Å; V116-L125 HydrophobicContact CB-CB 4.18Å; V116-L125 WeakPolarHBondContact CB-O 3.3Å; V116-L125 HydrophobicContact CG2-CB 4.39Å; V116-L125 PolarHBondContact N-O 2.94Å; V123-L125 WeakPolarHBondContact CG1-O 3.12Å |
| 126 | F | 90.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 160.1 | -66.9 | -74.2 | 0 | 0 | 0 | 109.8 | L32 A33 A35 Y40 L87 Q90 V113 A114 P115 V123 | L32-F126 WeakPolarHBondContact CA-O 3.48Å; A33-F126 HydrophobicContact CB-CB 4.43Å; A33-F126 PolarHBondContact N-O 3.42Å; A33-F126 PolarHBondContact O-N 2.9Å; A35-F126 HydrophobicContact CB-CD2 3.69Å; A35-F126 HydrophobicContact CB-CE2 3.44Å; A35-F126 VanDerWaalsContact CB-CE2 3.44Å; A35-F126 HydrophobicContact CB-CZ 4.08Å; Y40-F126 HydrophobicContact CD1-CD2 4.21Å; Y40-F126 AromaticContact CD1-CE2 3.74Å; Y40-F126 HydrophobicContact CD1-CE2 3.74Å; Y40-F126 AromaticContact CE1-CE2 3.85Å; Y40-F126 HydrophobicContact CE1-CE2 3.85Å; Y40-F126 HydrophobicContact CG-CE2 4.38Å; L87-F126 HydrophobicContact CB-CE2 4.48Å; L87-F126 HydrophobicContact CB-CZ 4.41Å; L87-F126 HydrophobicContact CD2-CB 4.13Å; L87-F126 HydrophobicContact CD2-CD1 3.83Å; L87-F126 HydrophobicContact CD2-CD2 3.72Å; L87-F126 HydrophobicContact CD2-CE1 4.12Å; L87-F126 HydrophobicContact CD2-CE2 4.01Å; L87-F126 HydrophobicContact CD2-CG 3.61Å; L87-F126 HydrophobicContact CD2-CZ 4.21Å; L87-F126 WeakPolarHBondContact O-CZ 3.43Å; Q90-F126 HydrophobicContact CG-CZ 4.27Å; V113-F126 HydrophobicContact CG1-CD1 4.5Å; A114-F126 WeakPolarHBondContact O-CA 3.33Å; P115-F126 HydrophobicContact CB-CD1 4.35Å; P115-F126 HydrophobicContact CB-CE1 4.16Å; V123-F126 HydrophobicContact CG1-CE1 4.34Å; V123-F126 HydrophobicContact CG1-CZ 4.44Å |
| 127 | L | 90.3 | Very high | 81.8 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.4 | 162.2 | 175.1 | 63.3 | 0 | 0 | 0 | 108 | F27 F30 L32 A114 V116 I266 | F27-L127 HydrophobicContact CE2-CD2 4.17Å; F30-L127 HydrophobicContact CB-CD1 4.18Å; F30-L127 HydrophobicContact CD2-CD1 3.79Å; F30-L127 HydrophobicContact CG-CD1 4.26Å; L32-L127 HydrophobicContact CD2-CB 4.28Å; L32-L127 HydrophobicContact CD2-CD1 3.71Å; A114-L127 PolarHBondContact N-O 2.89Å; A114-L127 PolarHBondContact O-N 3.45Å; V116-L127 HydrophobicContact CG2-CB 4.27Å; L127-I266 HydrophobicContact CD2-CD1 4.35Å; L127-I266 HydrophobicContact CD2-CG1 4.26Å |
| 128 | L | 90.4 | Very high | 80.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 101.6 | 175.8 | -69.4 | 163.8 | 0 | 0 | 0 | 107.7 | F30 V31 A33 G65 V111 C112 V113 F130 | F30-L128 CarbonylContact C-O 3.57Å; F30-L128 VanDerWaalsContact CA-O 3.25Å; F30-L128 WeakPolarHBondContact CA-O 3.34Å; V31-L128 HydrophobicContact CB-CB 4.27Å; V31-L128 PolarHBondContact N-O 2.85Å; V31-L128 PolarHBondContact O-N 2.82Å; A33-L128 HydrophobicContact CB-CD1 4.37Å; G65-L128 WeakPolarHBondContact O-CD1 3.39Å; V111-L128 HydrophobicContact CG1-CD2 4.32Å; C112-L128 WeakPolarHBondContact O-CA 3.1Å; V113-L128 HydrophobicContact CB-CD2 4.29Å; V113-L128 HydrophobicContact CG1-CD2 4.17Å; V113-L128 HydrophobicContact CG2-CD2 3.89Å; L128-F130 HydrophobicContact CB-CE2 3.72Å; L128-F130 HydrophobicContact CB-CZ 4Å; L128-F130 WeakPolarHBondContact O-CD2 3.32Å; L128-F130 VanDerWaalsContact O-CE2 3.26Å; L128-F130 WeakPolarHBondContact O-CE2 3.46Å |
| 129 | A | 89.5 | Confident | 79.1 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 150.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F27 F30 C112 | F27-A129 HydrophobicContact CB-CB 4.24Å; F27-A129 HydrophobicContact CD1-CB 3.66Å; F27-A129 HydrophobicContact CE1-CB 4.12Å; F27-A129 HydrophobicContact CG-CB 3.89Å; F30-A129 HydrophobicContact CB-CB 4.24Å; C112-A129 HydrophobicContact CB-CB 3.91Å; C112-A129 WeakPolarHBondContact CB-O 3.33Å; C112-A129 PolarHBondContact N-O 3.39Å; C112-A129 PolarHBondContact O-N 3.23Å |
| 130 | F | 89.5 | Confident | 78.3 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.9 | -173.1 | -63.4 | -93.2 | 0 | 0 | 0 | 110.7 | S29 V31 F49 L52 L109 L110 V111 L128 | S29-F130 PolarHBondContact O-N 3.35Å; V31-F130 HydrophobicContact CB-CE2 4.09Å; V31-F130 HydrophobicContact CG2-CD2 4.38Å; V31-F130 HydrophobicContact CG2-CE2 3.75Å; F49-F130 HydrophobicContact CD2-CB 4.34Å; F49-F130 AromaticContact CD2-CD2 3.48Å; F49-F130 HydrophobicContact CD2-CD2 3.48Å; F49-F130 VanDerWaalsContact CD2-CD2 3.48Å; F49-F130 AromaticContact CD2-CE2 3.88Å; F49-F130 HydrophobicContact CD2-CE2 3.88Å; F49-F130 AromaticContact CD2-CG 3.93Å; F49-F130 HydrophobicContact CD2-CG 3.93Å; F49-F130 HydrophobicContact CE2-CB 4.48Å; F49-F130 HydrophobicContact CE2-CD1 4.03Å; F49-F130 AromaticContact CE2-CD2 3.39Å; F49-F130 HydrophobicContact CE2-CD2 3.39Å; F49-F130 HydrophobicContact CE2-CE1 4.04Å; F49-F130 AromaticContact CE2-CE2 3.42Å; F49-F130 HydrophobicContact CE2-CE2 3.42Å; F49-F130 VanDerWaalsContact CE2-CE2 3.42Å; F49-F130 AromaticContact CE2-CG 3.71Å; F49-F130 HydrophobicContact CE2-CG 3.71Å; F49-F130 AromaticContact CE2-CZ 3.76Å; F49-F130 HydrophobicContact CE2-CZ 3.76Å; F49-F130 HydrophobicContact CZ-CD2 4.5Å; F49-F130 HydrophobicContact CZ-CE2 4.15Å; F49-F130 HydrophobicContact CZ-CZ 4.27Å; L52-F130 HydrophobicContact CD2-CB 4.13Å; L109-F130 HydrophobicContact CD1-CB 4.29Å; L109-F130 HydrophobicContact CD1-CD1 3.82Å; L109-F130 HydrophobicContact CD1-CG 4.44Å; L110-F130 WeakPolarHBondContact O-CA 3.46Å; V111-F130 HydrophobicContact CG1-CD1 4.48Å; V111-F130 HydrophobicContact CG1-CE1 3.99Å; V111-F130 HydrophobicContact CG1-CZ 4.44Å; V111-F130 HydrophobicContact CG2-CD1 4.12Å; V111-F130 HydrophobicContact CG2-CE1 3.99Å; L128-F130 HydrophobicContact CB-CE2 3.72Å; L128-F130 HydrophobicContact CB-CZ 4Å; L128-F130 WeakPolarHBondContact O-CD2 3.32Å; L128-F130 VanDerWaalsContact O-CE2 3.26Å; L128-F130 WeakPolarHBondContact O-CE2 3.46Å |
| 131 | R | 86.7 | Confident | 76.7 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.7 | 177.7 | -176 | 179.8 | -174.9 | -133.7 | 0.9 | 110.7 | L109 L110 I133 | L109-R131 CarbonylContact C-O 3.57Å; L109-R131 WeakPolarHBondContact CA-O 3.46Å; L110-R131 HydrophobicContact CB-CB 4.39Å; L110-R131 PolarHBondContact N-O 3.47Å; L110-R131 PolarHBondContact O-N 3.44Å; R131-I133 PolarHBondContact O-N 2.82Å |
| 132 | D | 85.7 | Confident | 74.9 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.1 | 175.1 | -158.8 | -38.8 | 0 | 0 | 0 | 110.5 | L52 L109 T134 | L52-D132 HydrophobicContact CD1-CB 4.3Å; L109-D132 HydrophobicContact CD2-CB 4.19Å; D132-T134 WeakPolarHBondContact OD1-CB 3.09Å; D132-T134 PolarHBondContact OD1-N 3.05Å; D132-T134 PolarHBondContact OD1-OG1 2.84Å |
| 133 | I | 85.2 | Confident | 72.7 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | trans | -123.9 | 14.4 | 178.2 | 63.5 | 171.1 | 0 | 0 | 0 | 111.5 | E96 W108 L110 R131 A135 L136 K137 | E96-I133 HydrophobicContact CB-CD1 4.07Å; E96-I133 HydrophobicContact CG-CD1 3.75Å; W108-I133 HydrophobicContact CB-CD1 4.35Å; W108-I133 HydrophobicContact CB-CG1 3.7Å; W108-I133 WeakPolarHBondContact O-CG1 3.39Å; W108-I133 PolarHBondContact O-N 2.81Å; L110-I133 HydrophobicContact CB-CD1 4.35Å; L110-I133 HydrophobicContact CB-CG2 4.07Å; R131-I133 PolarHBondContact O-N 2.82Å; I133-A135 PolarHBondContact O-N 2.78Å; I133-A135 VanDerWaalsContact O-N 3.13Å; I133-L136 HydrophobicContact CB-CD1 4.16Å; I133-L136 HydrophobicContact CG2-CD1 4.19Å; I133-L136 WeakPolarHBondContact O-CB 3.46Å; I133-L136 PolarHBondContact O-N 2.64Å; I133-K137 PolarHBondContact O-N 3.22Å | ||
| 134 | T | 81.4 | Confident | 70.2 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28 | -178 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | W108 D132 L136 | W108-T134 PolarHBondContact N-OG1 3.46Å; W108-T134 PolarHBondContact O-N 2.86Å; W108-T134 PolarHBondContact O-OG1 3.31Å; D132-T134 WeakPolarHBondContact OD1-CB 3.09Å; D132-T134 PolarHBondContact OD1-N 3.05Å; D132-T134 PolarHBondContact OD1-OG1 2.84Å; T134-L136 VanDerWaalsContact C-N 3.32Å; T134-L136 PolarHBondContact O-N 3.42Å |
| 135 | A | 72.7 | Confident | 67.7 | Low | 65 Ų | 65 | 76.3 Ų | 76.3 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | I133 S158 N162 | I133-A135 PolarHBondContact O-N 2.78Å; I133-A135 VanDerWaalsContact O-N 3.13Å; A135-S158 PolarHBondContact O-OG 3.47Å; A135-N162 PolarHBondContact O-ND2 2.79Å |
| 136 | L | 68.2 | Low | 65.3 | Low | 101 Ų | 101 | 81 Ų | 81 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -22 | 177.5 | -68.4 | 163.4 | 0 | 0 | 0 | 112.5 | I133 T134 N162 | I133-L136 HydrophobicContact CB-CD1 4.16Å; I133-L136 HydrophobicContact CG2-CD1 4.19Å; I133-L136 WeakPolarHBondContact O-CB 3.46Å; I133-L136 PolarHBondContact O-N 2.64Å; T134-L136 VanDerWaalsContact C-N 3.32Å; T134-L136 PolarHBondContact O-N 3.42Å; L136-N162 HydrophobicContact CD2-CB 4.15Å |
| 137 | K | 65.3 | Low | 62.7 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -88.2 | 155.6 | 171.5 | -64.7 | -88.3 | -179.6 | 170.4 | 0 | 109.5 | E96 W108 I133 | E96-K137 WeakPolarHBondContact OE2-CE 3.25Å; E96-K137 IonicContact OE2-NZ 2.71Å; E96-K137 PolarHBondContact OE2-NZ 3.11Å; W108-K137 HydrophobicContact CB-CG 4.13Å; W108-K137 HydrophobicContact CD2-CB 4.39Å; W108-K137 HydrophobicContact CD2-CD 3.87Å; W108-K137 HydrophobicContact CD2-CG 3.74Å; W108-K137 HydrophobicContact CE3-CD 4.12Å; W108-K137 HydrophobicContact CE3-CG 4.32Å; W108-K137 HydrophobicContact CG-CB 4.06Å; W108-K137 HydrophobicContact CG-CD 4.34Å; W108-K137 HydrophobicContact CG-CG 3.66Å; W108-K137 HydrophobicContact CH2-CD 4.37Å; W108-K137 HydrophobicContact CZ2-CD 4.12Å; W108-K137 HydrophobicContact CZ3-CD 4.37Å; I133-K137 PolarHBondContact O-N 3.22Å |
| 138 | T | 53.4 | Low | 60.7 | Low | 121 Ų | 121 | 92.6 Ų | 92.6 | 74% | 0.742 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 138.1 | 171.1 | 42.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 139 | P | 47.4 | Very low | 58.7 | Low | 104 Ų | 104 | 99.8 Ų | 99.8 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 144.6 | 172.1 | 29.1 | -34.6 | 0 | 0 | 0 | 109.5 | D141 | P139-D141 PolarHBondContact O-N 3.02Š|
| 140 | F | 50.6 | Low | 56.7 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 43% | 0.425 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 127 | 164.6 | -61.5 | -83.6 | 0 | 0 | 0 | 107.8 | L98 W108 | L98-F140 HydrophobicContact CD1-CE1 4.48Å; L98-F140 HydrophobicContact CD1-CE2 3.39Å; L98-F140 HydrophobicContact CD1-CZ 3.36Å; W108-F140 HydrophobicContact CZ2-CZ 4.21Å; W108-F140 AromaticContact NE1-CE2 3.45Å; W108-F140 AromaticContact NE1-CZ 3.69Å |
| 141 | D | 40.9 | Very low | 54.7 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | trans | -86.5 | 103 | 166.9 | -71.8 | -65.4 | 0 | 0 | 0 | 107.1 | P139 K151 | P139-D141 PolarHBondContact O-N 3.02Å; D141-K151 WeakPolarHBondContact OD1-CE 3.18Å; D141-K151 IonicContact OD1-NZ 2.64Å; D141-K151 PolarHBondContact OD1-NZ 2.84Å; D141-K151 IonicContact OD2-NZ 2.9Å; D141-K151 PolarHBondContact OD2-NZ 3.46Å | ||
| 142 | D | 40.2 | Very low | 52.9 | Low | 141 Ų | 141 | 109.2 Ų | 109.2 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | trans | -68 | 153.4 | 153.6 | -63.2 | -47.1 | 0 | 0 | 0 | 108.1 | ||||
| 143 | E | 35.6 | Very low | 51.2 | Low | 191 Ų | 191 | 107.7 Ų | 107.7 | 89% | 0.893 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -71 | 161.8 | -166.6 | -68.1 | -154.5 | 120.9 | 0 | 0 | 115.5 | ||
| 144 | E | 34.2 | Very low | 49.4 | Very low | 179 Ų | 179 | 116.8 Ų | 116.8 | 84% | 0.836 | 62% | 0.62 | S | S | * | * | trans | 75.2 | 150.5 | 175.4 | -52.7 | -153.2 | 120.4 | 0 | 0 | 119.3 | ||||
| 145 | T | 34.3 | Very low | 47.7 | Very low | 136 Ų | 136 | 119 Ų | 119 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | trans | 76.3 | 110.5 | 171 | 69.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 146 | V | 39.8 | Very low | 46.5 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 72% | 0.715 | 63% | 0.627 | S | S | * | * | trans | 75.6 | 73.6 | 151 | -164.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 147 | K | 36.3 | Very low | 45.5 | Very low | 195 Ų | 195 | 122.2 Ų | 122.2 | 85% | 0.848 | 63% | 0.633 | S | S | * | * | 43.1 | 111.4 | 122.1 | -64 | -177.9 | 178.4 | 178.4 | 0 | 120.3 | L149 | K147-L149 PolarHBondContact O-N 3.16Š| |||
| 148 | G | 47.8 | Very low | 44.6 | Very low | 53 Ų | 53 | 121.5 Ų | 121.5 | 55% | 0.546 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.6 | -101.3 | 131.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | S150 | G148-S150 VanDerWaalsContact C-N 3.32Å; G148-S150 PolarHBondContact O-N 2.96Å |
| 149 | L | 47 | Very low | 44.1 | Very low | 153 Ų | 153 | 120 Ų | 120 | 80% | 0.801 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.2 | -24.9 | -166.6 | -85 | 68.9 | 0 | 0 | 0 | 113.5 | K147 K151 F152 A153 | K147-L149 PolarHBondContact O-N 3.16Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.29Å; L149-F152 PolarHBondContact O-N 3.41Å; L149-A153 WeakPolarHBondContact O-CB 3.38Å; L149-A153 PolarHBondContact O-N 2.92Å |
| 150 | S | 49.1 | Very low | 44.1 | Very low | 55 Ų | 55 | 119.5 Ų | 119.5 | 39% | 0.385 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.3 | -36.6 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | G148 A153 R154 | G148-S150 VanDerWaalsContact C-N 3.32Å; G148-S150 PolarHBondContact O-N 2.96Å; S150-A153 PolarHBondContact O-N 2.94Å; S150-R154 WeakPolarHBondContact O-CB 3.43Å; S150-R154 PolarHBondContact O-N 2.67Å |
| 151 | K | 47.1 | Very low | 43.7 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 50% | 0.5 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.5 | -46.2 | -179.9 | -67.3 | -165.6 | 173.2 | -172.1 | 0 | 111.7 | D141 L149 R154 L155 | D141-K151 WeakPolarHBondContact OD1-CE 3.18Å; D141-K151 IonicContact OD1-NZ 2.64Å; D141-K151 PolarHBondContact OD1-NZ 2.84Å; D141-K151 IonicContact OD2-NZ 2.9Å; D141-K151 PolarHBondContact OD2-NZ 3.46Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.29Å; K151-R154 PolarHBondContact O-N 2.83Å; K151-L155 VanDerWaalsContact O-CB 3.31Å; K151-L155 WeakPolarHBondContact O-CB 3.19Å; K151-L155 PolarHBondContact O-N 3Å |
| 152 | F | 48 | Very low | 43.5 | Very low | 162 Ų | 162 | 120.4 Ų | 120.4 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 172.6 | -82.5 | -85.5 | 0 | 0 | 0 | 112.6 | L149 R154 L155 A156 | L149-F152 PolarHBondContact O-N 3.41Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3Å; F152-L155 PolarHBondContact O-N 3.01Å; F152-A156 WeakPolarHBondContact O-CB 3.42Å; F152-A156 PolarHBondContact O-N 3.33Å |
| 153 | A | 49.9 | Very low | 43.4 | Very low | 42 Ų | 42 | 122.2 Ų | 122.2 | 35% | 0.347 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.7 | -21.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L149 S150 R157 | L149-A153 WeakPolarHBondContact O-CB 3.38Å; L149-A153 PolarHBondContact O-N 2.92Å; S150-A153 PolarHBondContact O-N 2.94Å; A153-R157 PolarHBondContact O-NE 3.01Å; A153-R157 PolarHBondContact O-NH2 2.87Å |
| 154 | R | 48.2 | Very low | 43.6 | Very low | 198 Ų | 198 | 116 Ų | 116 | 75% | 0.747 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.9 | -43 | 167.2 | -85.1 | -179.1 | 165.5 | 165.4 | -4.3 | 111.4 | S150 K151 F152 R157 S158 | S150-R154 WeakPolarHBondContact O-CB 3.43Å; S150-R154 PolarHBondContact O-N 2.67Å; K151-R154 PolarHBondContact O-N 2.83Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3Å; R154-R157 CarbonylContact O-C 3.54Å; R154-R157 PolarHBondContact O-N 3.02Å; R154-S158 PolarHBondContact O-N 3.1Å |
| 155 | L | 45.8 | Very low | 43.6 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60 | -49.6 | 178.4 | -171 | 68.4 | 0 | 0 | 0 | 111.5 | K151 F152 R157 S158 V159 | K151-L155 VanDerWaalsContact O-CB 3.31Å; K151-L155 WeakPolarHBondContact O-CB 3.19Å; K151-L155 PolarHBondContact O-N 3Å; F152-L155 PolarHBondContact O-N 3.01Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.41Å; L155-S158 PolarHBondContact O-N 3.46Å; L155-S158 VanDerWaalsContact O-N 3.08Å; L155-V159 HydrophobicContact CD1-CG2 4.38Å; L155-V159 HydrophobicContact CG-CG2 4.38Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.31Å; L155-V159 PolarHBondContact O-N 2.7Å |
| 156 | A | 47.4 | Very low | 43.6 | Very low | 59 Ų | 59 | 109 Ų | 109 | 49% | 0.488 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F152 T160 | F152-A156 WeakPolarHBondContact O-CB 3.42Å; F152-A156 PolarHBondContact O-N 3.33Å; A156-T160 WeakPolarHBondContact O-CB 3.43Å; A156-T160 WeakPolarHBondContact O-CG2 3.28Å; A156-T160 PolarHBondContact O-N 2.68Å; A156-T160 PolarHBondContact O-OG1 2.89Å |
| 157 | R | 47.6 | Very low | 43.3 | Very low | 174 Ų | 174 | 109.4 Ų | 109.4 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78.4 | -21.1 | 175.2 | -78.8 | -175.8 | -77.3 | -166.8 | -4.8 | 114.1 | A153 R154 L155 T160 R161 | A153-R157 PolarHBondContact O-NE 3.01Å; A153-R157 PolarHBondContact O-NH2 2.87Å; R154-R157 CarbonylContact O-C 3.54Å; R154-R157 PolarHBondContact O-N 3.02Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.41Å; R157-T160 WeakPolarHBondContact CA-OG1 3.28Å; R157-T160 PolarHBondContact O-OG1 2.86Å; R157-R161 VanDerWaalsContact O-CB 3.28Å; R157-R161 WeakPolarHBondContact O-CB 3.27Å |
| 158 | S | 45.2 | Very low | 43.3 | Very low | 43 Ų | 43 | 106.5 Ų | 106.5 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -79.4 | -49.2 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | A135 R154 L155 T160 R161 N162 | A135-S158 PolarHBondContact O-OG 3.47Å; R154-S158 PolarHBondContact O-N 3.1Å; L155-S158 PolarHBondContact O-N 3.46Å; L155-S158 VanDerWaalsContact O-N 3.08Å; S158-T160 VanDerWaalsContact C-N 3.31Å; S158-T160 PolarHBondContact O-N 2.84Å; S158-R161 PolarHBondContact O-N 3.36Å; S158-R161 VanDerWaalsContact O-N 3.08Å; S158-N162 PolarHBondContact O-N 2.87Å; S158-N162 PolarHBondContact OG-ND2 2.94Å |
| 159 | V | 43.7 | Very low | 42.4 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | -179.5 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | L155 R163 | L155-V159 HydrophobicContact CD1-CG2 4.38Å; L155-V159 HydrophobicContact CG-CG2 4.38Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.31Å; L155-V159 PolarHBondContact O-N 2.7Å; V159-R163 WeakPolarHBondContact O-CB 3.26Å; V159-R163 PolarHBondContact O-N 2.85Å; V159-R163 VanDerWaalsContact O-N 3.14Å |
| 160 | T | 47.2 | Very low | 41.6 | Very low | 93 Ų | 93 | 104.4 Ų | 104.4 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | -36.3 | 174.2 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | A156 R157 S158 R163 | A156-T160 WeakPolarHBondContact O-CB 3.43Å; A156-T160 WeakPolarHBondContact O-CG2 3.28Å; A156-T160 PolarHBondContact O-N 2.68Å; A156-T160 PolarHBondContact O-OG1 2.89Å; R157-T160 WeakPolarHBondContact CA-OG1 3.28Å; R157-T160 PolarHBondContact O-OG1 2.86Å; S158-T160 VanDerWaalsContact C-N 3.31Å; S158-T160 PolarHBondContact O-N 2.84Å; T160-R163 PolarHBondContact O-N 2.87Å |
| 161 | R | 42.1 | Very low | 40.6 | Very low | 195 Ų | 195 | 104.6 Ų | 104.6 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.3 | -29.1 | -178.6 | -153.4 | 172.7 | -162 | 163.6 | 3.9 | 113.4 | R157 S158 S164 V165 | R157-R161 VanDerWaalsContact O-CB 3.28Å; R157-R161 WeakPolarHBondContact O-CB 3.27Å; S158-R161 PolarHBondContact O-N 3.36Å; S158-R161 VanDerWaalsContact O-N 3.08Å; R161-S164 PolarHBondContact O-OG 3Å; R161-S164 VanDerWaalsContact O-OG 3.07Å; R161-V165 WeakPolarHBondContact O-CG2 3.18Å |
| 162 | N | 38 | Very low | 39.8 | Very low | 35 Ų | 35 | 102.7 Ų | 102.7 | 19% | 0.187 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -79 | -27 | 170.9 | -76.2 | -40.7 | 0 | 0 | 0 | 112.5 | A135 L136 S158 V165 L166 | A135-N162 PolarHBondContact O-ND2 2.79Å; L136-N162 HydrophobicContact CD2-CB 4.15Å; S158-N162 PolarHBondContact O-N 2.87Å; S158-N162 PolarHBondContact OG-ND2 2.94Å; N162-V165 PolarHBondContact O-N 3.05Å; N162-L166 PolarHBondContact O-N 2.88Å |
| 163 | R | 36.8 | Very low | 38.9 | Very low | 179 Ų | 179 | 102.2 Ų | 102.2 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 176.8 | -169.3 | 172.9 | -174.2 | 168.7 | 2.8 | 112.2 | V159 T160 L166 Q167 | V159-R163 WeakPolarHBondContact O-CB 3.26Å; V159-R163 PolarHBondContact O-N 2.85Å; V159-R163 VanDerWaalsContact O-N 3.14Å; T160-R163 PolarHBondContact O-N 2.87Å; R163-L166 PolarHBondContact O-N 3.28Å; R163-Q167 WeakPolarHBondContact O-CB 3.32Å; R163-Q167 PolarHBondContact O-N 3.27Å |
| 164 | S | 40.3 | Very low | 37.8 | Very low | 59 Ų | 59 | 105.5 Ų | 105.5 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | R161 Q167 Q168 | R161-S164 PolarHBondContact O-OG 3Å; R161-S164 VanDerWaalsContact O-OG 3.07Å; S164-Q167 PolarHBondContact O-N 2.94Å; S164-Q168 WeakPolarHBondContact O-CB 3.13Å; S164-Q168 WeakPolarHBondContact O-CG 3.31Å; S164-Q168 PolarHBondContact O-N 3.08Å |
| 165 | V | 34.2 | Very low | 36.7 | Very low | 57 Ų | 57 | 100.1 Ų | 100.1 | 35% | 0.345 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | R161 N162 Q167 Q168 L169 | R161-V165 WeakPolarHBondContact O-CG2 3.18Å; N162-V165 PolarHBondContact O-N 3.05Å; V165-Q167 VanDerWaalsContact C-N 3.32Å; V165-Q167 PolarHBondContact O-N 3.09Å; V165-Q168 PolarHBondContact O-N 3.42Å; V165-L169 HydrophobicContact CG1-CD1 4Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.27Å; V165-L169 WeakPolarHBondContact O-CG 3.26Å; V165-L169 PolarHBondContact O-N 2.97Å |
| 166 | L | 34.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 101.4 Ų | 101.4 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -34.5 | 175.7 | -77.2 | 167.6 | 0 | 0 | 0 | 112.6 | N162 R163 L169 S170 | N162-L166 PolarHBondContact O-N 2.88Å; R163-L166 PolarHBondContact O-N 3.28Å; L166-L169 PolarHBondContact O-N 3.04Å; L166-S170 PolarHBondContact O-N 3.45Å; L166-S170 PolarHBondContact O-OG 3.45Å |
| 167 | Q | 33.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 106.7 Ų | 106.7 | 59% | 0.593 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.8 | -25.3 | 179.5 | -161.7 | 161.7 | -1.6 | 0 | 0 | 112.8 | R163 S164 V165 S170 A171 | R163-Q167 WeakPolarHBondContact O-CB 3.32Å; R163-Q167 PolarHBondContact O-N 3.27Å; S164-Q167 PolarHBondContact O-N 2.94Å; V165-Q167 VanDerWaalsContact C-N 3.32Å; V165-Q167 PolarHBondContact O-N 3.09Å; Q167-S170 PolarHBondContact O-OG 2.89Å; Q167-A171 WeakPolarHBondContact O-CB 3.33Å; Q167-A171 PolarHBondContact O-N 3.29Å |
| 168 | Q | 35.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 105.8 Ų | 105.8 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75 | -35.5 | 165.8 | -74.1 | 177.4 | -51.2 | 0 | 0 | 112.2 | S164 V165 A171 S172 | S164-Q168 WeakPolarHBondContact O-CB 3.13Å; S164-Q168 WeakPolarHBondContact O-CG 3.31Å; S164-Q168 PolarHBondContact O-N 3.08Å; V165-Q168 PolarHBondContact O-N 3.42Å; Q168-A171 PolarHBondContact O-N 2.87Å; Q168-S172 PolarHBondContact O-N 2.91Å; Q168-S172 VanDerWaalsContact O-N 3.13Å; Q168-S172 PolarHBondContact O-OG 3.21Å |
| 169 | L | 29.2 | Very low | 32.8 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 44% | 0.435 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -36.5 | 176.4 | -76.5 | 165.5 | 0 | 0 | 0 | 112.7 | V165 L166 | V165-L169 HydrophobicContact CG1-CD1 4Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.27Å; V165-L169 WeakPolarHBondContact O-CG 3.26Å; V165-L169 PolarHBondContact O-N 2.97Å; L166-L169 PolarHBondContact O-N 3.04Å |
| 170 | S | 30.9 | Very low | 32 | Very low | 79 Ų | 79 | 110.2 Ų | 110.2 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.2 | -37.1 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 113 | L166 Q167 S172 | L166-S170 PolarHBondContact O-N 3.45Å; L166-S170 PolarHBondContact O-OG 3.45Å; Q167-S170 PolarHBondContact O-OG 2.89Å; S170-S172 PolarHBondContact O-N 2.93Å |
| 171 | A | 28.9 | Very low | 30.9 | Very low | 59 Ų | 59 | 111.1 Ų | 111.1 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.7 | -16.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q167 Q168 Q173 | Q167-A171 WeakPolarHBondContact O-CB 3.33Å; Q167-A171 PolarHBondContact O-N 3.29Å; Q168-A171 PolarHBondContact O-N 2.87Å; A171-Q173 PolarHBondContact O-N 3.15Å |
| 172 | S | 29.2 | Very low | 30.2 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | 1.8 | 179.8 | -62.6 | 0 | 0 | 0 | 0 | 114.5 | Q168 S170 | Q168-S172 PolarHBondContact O-N 2.91Å; Q168-S172 VanDerWaalsContact O-N 3.13Å; Q168-S172 PolarHBondContact O-OG 3.21Å; S170-S172 PolarHBondContact O-N 2.93Å |
| 173 | Q | 29.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 113.2 Ų | 113.2 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 1.3 | -179.6 | -62.2 | -169.2 | -3.8 | 0 | 0 | 114.4 | A171 | A171-Q173 PolarHBondContact O-N 3.15Š|
| 174 | T | 25.7 | Very low | 29 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -129.8 | 45.6 | -177.2 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||
| 175 | S | 25.9 | Very low | 28.3 | Very low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | -156.5 | 27.8 | 178.1 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | Q177 | S175-Q177 VanDerWaalsContact C-N 3.31Å; S175-Q177 PolarHBondContact O-N 2.99Å | ||
| 176 | T | 27 | Very low | 27.9 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | trans | -91 | 36.1 | -177.6 | 38.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 177 | Q | 26 | Very low | 27.4 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -131.5 | 145.1 | 156.2 | -66.4 | -172.4 | 2.3 | 0 | 0 | 108.3 | S175 | S175-Q177 VanDerWaalsContact C-N 3.31Å; S175-Q177 PolarHBondContact O-N 2.99Å |
| 178 | N | 24.6 | Very low | 26.9 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 68.6 | 52 | 175.7 | -51.7 | -26 | 0 | 0 | 0 | 117.8 | ||
| 179 | S | 26.5 | Very low | 26.4 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -163 | 63 | 154.4 | -84.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 180 | A | 26.4 | Very low | 26.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -110.7 | 23.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 181 | L | 25.7 | Very low | 26 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 59% | 0.586 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -133.1 | 155.3 | 176.4 | -83.3 | 159.7 | 0 | 0 | 0 | 109.3 | ||
| 182 | T | 25.6 | Very low | 25.8 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 86% | 0.859 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 82.3 | 27.2 | 172.7 | -33.5 | 0 | 0 | 0 | 0 | 118.1 | ||
| 183 | V | 25.9 | Very low | 25.7 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -134.5 | 55.6 | 160.7 | -161.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 184 | Y | 25.2 | Very low | 25.6 | Very low | 202 Ų | 202 | 130.5 Ų | 130.5 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -148.1 | 35.5 | 171.6 | -110.7 | -77.7 | 0 | 0 | 0 | 113.3 | ||
| 185 | R | 24.7 | Very low | 25.8 | Very low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -147 | 55.2 | -179 | -156.5 | 179.3 | -174.9 | 173.1 | 1.5 | 115.1 | ||
| 186 | S | 25 | Very low | 26 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -162.9 | 160.4 | 155.8 | -92.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 187 | N | 24.8 | Very low | 26 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 74.9 | 48.1 | -178.3 | -60.3 | 0.6 | 0 | 0 | 0 | 117.3 | ||
| 188 | R | 22.8 | Very low | 26.1 | Very low | 230 Ų | 230 | 123.4 Ų | 123.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -144 | 138 | 141 | -168.6 | 172.5 | -69 | -150.1 | -0.4 | 106.7 | ||
| 189 | L | 24.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 61% | 0.613 | 78% | 0.777 | S | S | * | * | trans | 91.1 | 100.1 | -164.3 | -57.9 | 165.6 | 0 | 0 | 0 | 113.8 | T893 T894 T895 | L189-T893 HydrophobicContact CD2-CG2 4.33Å; L189-T894 HydrophobicContact CB-CG2 3.38Å; L189-T894 HydrophobicContact CD2-CG2 3.41Å; L189-T894 VanDerWaalsContact CD2-CG2 3.41Å; L189-T894 HydrophobicContact CG-CG2 3.94Å; L189-T895 HydrophobicContact CB-CG2 3.95Å; L189-T895 WeakPolarHBondContact O-CG2 3.47Å | ||
| 190 | I | 27 | Very low | 26.4 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -152.7 | 150.3 | 137.8 | -65.4 | -155 | 0 | 0 | 0 | 108.3 | T894 T895 I896 | I190-T894 WeakPolarHBondContact CA-OG1 3.28Å; I190-T895 HydrophobicContact CG1-CG2 3.89Å; I190-I896 HydrophobicContact CD1-CD1 4.07Å; I190-I896 HydrophobicContact CG1-CD1 4.36Å | ||
| 191 | G | 23.9 | Very low | 26.5 | Very low | 33 Ų | 33 | 118.1 Ų | 118.1 | 34% | 0.34 | 78% | 0.775 | S | S | . | * | trans | 133.1 | 77 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T892 T893 T894 | G191-T892 CarbonylContact O-C 2.73Å; G191-T892 WeakPolarHBondContact O-CB 3.39Å; G191-T892 VanDerWaalsContact O-O 3.11Å; G191-T893 CarbonylContact C-O 3.51Å; G191-T893 WeakPolarHBondContact CA-O 3.34Å; G191-T893 PolarHBondContact N-O 3.07Å; G191-T893 PolarHBondContact O-OG1 3.15Å; G191-T894 PolarHBondContact N-OG1 3.25Å | ||
| 192 | C | 24.6 | Very low | 26.7 | Very low | 81 Ų | 81 | 119.7 Ų | 119.7 | 55% | 0.547 | 79% | 0.79 | S | S | . | * | trans | -129 | 130 | -170.6 | -138.2 | 0 | 0 | 0 | 0 | 113.6 | T892 T893 T894 | C192-T892 VanDerWaalsContact CA-O 3.29Å; C192-T892 WeakPolarHBondContact CA-O 3.5Å; C192-T892 PolarHBondContact SG-O 3.33Å; C192-T893 WeakPolarHBondContact CA-O 3.5Å; C192-T893 VanDerWaalsContact CB-C 3.41Å; C192-T893 WeakPolarHBondContact CB-O 3.33Å; C192-T893 PolarHBondContact N-O 3.49Å; C192-T893 PolarHBondContact SG-O 3.17Å; C192-T893 VanDerWaalsContact SG-O 3.41Å; C192-T894 WeakPolarHBondContact CB-O 3.49Å | ||
| 193 | G | 27.3 | Very low | 26.8 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 65.3 | 149.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 194 | G | 29 | Very low | 26.8 | Very low | 85 Ų | 85 | 114 Ų | 114 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | cis | 140.8 | 104.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 195 | G | 29.4 | Very low | 26.9 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -160.1 | 137.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 196 | A | 30.5 | Very low | 26.9 | Very low | 109 Ų | 109 | 106.8 Ų | 106.8 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 156.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 197 | G | 27.3 | Very low | 26.9 | Very low | 83 Ų | 83 | 106.3 Ų | 106.3 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -81.9 | 159.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 198 | G | 28.3 | Very low | 26.8 | Very low | 75 Ų | 75 | 105.2 Ų | 105.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -168.1 | 105 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 199 | A | 29.3 | Very low | 26.9 | Very low | 107 Ų | 107 | 98 Ų | 98 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | trans | 49.7 | 114.1 | 158 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 200 | G | 27.9 | Very low | 26.9 | Very low | 85 Ų | 85 | 96.3 Ų | 96.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | 88.8 | 168.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 201 | G | 28.7 | Very low | 26.7 | Very low | 78 Ų | 78 | 94.6 Ų | 94.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 101.3 | 68.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 202 | T | 28.4 | Very low | 26.7 | Very low | 145 Ų | 145 | 101 Ų | 101 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -28.2 | 126.5 | 159.5 | 48.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 203 | G | 27.7 | Very low | 26.8 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | 91.3 | 152.2 | 129.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 204 | G | 26.9 | Very low | 26.9 | Very low | 70 Ų | 70 | 106.6 Ų | 106.6 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 113.9 | 100.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 205 | T | 27 | Very low | 26.8 | Very low | 134 Ų | 134 | 108.3 Ų | 108.3 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 39.4 | 107.8 | 136.6 | 55.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 206 | D | 24.3 | Very low | 26.7 | Very low | 158 Ų | 158 | 110.4 Ų | 110.4 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | 38.2 | 152.7 | 119.5 | -69.9 | -31.3 | 0 | 0 | 0 | 123.9 | |||||
| 207 | S | 24.2 | Very low | 26.4 | Very low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 91.2 | 100.5 | 155.4 | 75.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 208 | T | 24.8 | Very low | 26.5 | Very low | 144 Ų | 144 | 116.2 Ų | 116.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 35.5 | 116 | 131 | 56.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 209 | G | 23.8 | Very low | 26.3 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 160.4 | 175.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 210 | G | 23.7 | Very low | 26.1 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 87 | 83.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 211 | A | 24.4 | Very low | 26.1 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -68.7 | -176.2 | 163 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 212 | M | 24.1 | Very low | 25.8 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 86 | 115.1 | 158.9 | -65.8 | 166.1 | 67.2 | 0 | 0 | 118.5 | ||||
| 213 | N | 26.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 127 Ų | 127 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 33 | 130.6 | 125.6 | -55 | 37.4 | 0 | 0 | 0 | 119.1 | D215 | N213-D215 PolarHBondContact ND2-OD2 3.29Š| |||
| 214 | D | 28.9 | Very low | 25.5 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | -126.2 | 154.1 | 112.1 | -148.7 | -19.9 | 0 | 0 | 0 | 108.7 | |||||
| 215 | D | 26.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | trans | -107 | -149.3 | -166 | -77.9 | -74.4 | 0 | 0 | 0 | 111.3 | N213 | N213-D215 PolarHBondContact ND2-OD2 3.29Š| ||
| 216 | T | 27.3 | Very low | 25.3 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 82.7 | 79.3 | 174.9 | -31.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 217 | E | 24.6 | Very low | 25.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | 83.3 | 101.1 | 69.1 | -173.7 | -176.7 | -127.9 | 0 | 0 | 114.4 | |||||
| 218 | V | 29.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -140.4 | 112.8 | 135.7 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 219 | S | 24.8 | Very low | 25.4 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 52% | 0.524 | 77% | 0.766 | S | S | . | * | trans | -78.2 | 153.6 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | N | 25.4 | Very low | 25.6 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 164.2 | 152.3 | 112.3 | -85.5 | -54.5 | 0 | 0 | 0 | 113.8 | |||||
| 221 | Q | 27.3 | Very low | 25.7 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 59.3 | 94.7 | 161.5 | -66.1 | 161.7 | 28.3 | 0 | 0 | 115.1 | ||||
| 222 | M | 22.9 | Very low | 25.7 | Very low | 166 Ų | 166 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | 61.9 | 89.6 | 39.2 | -178.2 | 171.1 | 164.9 | 0 | 0 | 113.9 | ||||
| 223 | E | 25.2 | Very low | 25.9 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | -167.2 | 138.5 | 110.7 | -110.6 | 170.1 | -171.5 | 0 | 0 | 116.2 | |||||
| 224 | Q | 24.2 | Very low | 25.9 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 53.2 | 92.6 | 137.3 | -165.4 | 169.1 | -18.7 | 0 | 0 | 121.4 | ||||
| 225 | Y | 24.9 | Very low | 25.7 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | -163.4 | 95.1 | 112.5 | -117.3 | -75.7 | 0 | 0 | 0 | 112 | |||||
| 226 | N | 24.1 | Very low | 25.8 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 129.5 | 174.4 | -79.2 | -37.8 | 0 | 0 | 0 | 111.1 | ||
| 227 | S | 25.2 | Very low | 25.6 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 131 | 163.6 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 228 | P | 26.2 | Very low | 25.6 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 130.3 | -151.8 | -13.1 | 30.9 | 0 | 0 | 0 | 114.9 | L230 | P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 2.85Å |
| 229 | S | 24.9 | Very low | 25.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -66.5 | 93.6 | 147.7 | 53.4 | 0 | 0 | 0 | 0 | 108.5 | S231 | S229-S231 PolarHBondContact O-N 3.44Š| ||
| 230 | L | 26.7 | Very low | 25.6 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 85.5 | -170.6 | -164.4 | 75.6 | 0 | 0 | 0 | 112.4 | P228 | P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 2.85Å | ||
| 231 | S | 25.8 | Very low | 25.6 | Very low | 89 Ų | 89 | 145 Ų | 145 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -131.4 | 96.8 | 168.4 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | S229 | S229-S231 PolarHBondContact O-N 3.44Š| ||
| 232 | N | 25.2 | Very low | 25.7 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 167.2 | 166.2 | 152.2 | -84.9 | -19.9 | 0 | 0 | 0 | 109.9 | ||||
| 233 | F | 28.3 | Very low | 25.8 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 63 | 106.9 | -170.2 | -61.6 | -84.2 | 0 | 0 | 0 | 112.9 | ||||
| 234 | Q | 26.3 | Very low | 25.8 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | 69.5 | 127.5 | 24.6 | -128.3 | 178.4 | 14.3 | 0 | 0 | 113.4 | ||||
| 235 | N | 25.7 | Very low | 26 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 69.2 | 91.2 | 179.5 | -61 | -17.9 | 0 | 0 | 0 | 118.4 | ||||
| 236 | L | 26.4 | Very low | 26 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -159.2 | 90.5 | 131.6 | -111.5 | 161.9 | 0 | 0 | 0 | 110.4 | ||||
| 237 | N | 24.1 | Very low | 26 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -80.3 | 139.1 | 165.1 | -69.7 | -31.6 | 0 | 0 | 0 | 109.2 | ||||
| 238 | T | 24.9 | Very low | 26.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 176.2 | 157 | 134.1 | 24.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 239 | S | 25.6 | Very low | 26 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 75.7 | 127.7 | 159 | -53 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 240 | S | 27.6 | Very low | 25.9 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 37.5 | 107.2 | 153.3 | 53.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 241 | S | 26.6 | Very low | 25.9 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | cis | 64.6 | 87.4 | 32.3 | -160.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 242 | S | 28.9 | Very low | 26.1 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -161.8 | 95.6 | 153.2 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 243 | R | 25.5 | Very low | 26.3 | Very low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | 57.1 | 118.7 | 148 | -51.7 | 168.8 | -147.4 | 176.4 | 7.6 | 118.7 | ||||
| 244 | F | 25.1 | Very low | 26.4 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | 76.7 | 114.5 | 58.3 | -92.3 | -100.2 | 0 | 0 | 0 | 116.1 | |||||
| 245 | H | 28 | Very low | 26.5 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | 56.5 | 153.5 | 157.3 | -87.4 | -103.5 | 0 | 0 | 0 | 117.3 | ||||
| 246 | D | 24.6 | Very low | 26.7 | Very low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | cis | -152.4 | -173.9 | 17.7 | -158.1 | 13.3 | 0 | 0 | 0 | 113.1 | ||||
| 247 | S | 24.3 | Very low | 26.7 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | trans | 71 | 99.6 | 147.7 | -75.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 248 | S | 26.4 | Very low | 27.3 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | 15.3 | 145.8 | 128.4 | 65.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 249 | K | 24.3 | Very low | 27.8 | Very low | 195 Ų | 195 | 121.4 Ų | 121.4 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | 97.2 | 147.7 | 163.2 | -62.3 | 179.9 | 177.1 | 175.2 | 0 | 116.7 | ||||
| 250 | S | 24.6 | Very low | 28.4 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | 48 | 108.6 | 159.4 | 51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 251 | D | 26.5 | Very low | 29.4 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | trans | -164.1 | 77.6 | 138.7 | -111.8 | -1.1 | 0 | 0 | 0 | 109.7 | E253 K254 | D251-E253 PolarHBondContact O-N 3.26Å; D251-K254 HydrophobicContact CB-CD 4.37Å; D251-K254 PolarHBondContact O-N 2.95Å; D251-K254 IonicContact OD2-NZ 2.68Å; D251-K254 PolarHBondContact OD2-NZ 2.98Å | ||
| 252 | P | 30.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.9 | -28 | -178.3 | 25.6 | -33.5 | 0 | 0 | 0 | 112.7 | K254 A255 V256 | P252-K254 VanDerWaalsContact C-N 3.29Å; P252-K254 PolarHBondContact O-N 2.93Å; P252-A255 PolarHBondContact O-N 3.19Å; P252-V256 WeakPolarHBondContact O-CG2 3.49Å; P252-V256 PolarHBondContact O-N 3.18Å; P252-V256 VanDerWaalsContact O-N 3.1Å |
| 253 | E | 28.9 | Very low | 31.8 | Very low | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.3 | -36.8 | -179.9 | -67 | -162.7 | 123 | 0 | 0 | 113.3 | D251 A255 V256 M257 | D251-E253 PolarHBondContact O-N 3.26Å; E253-A255 VanDerWaalsContact C-N 3.31Å; E253-A255 PolarHBondContact O-N 3.4Å; E253-V256 PolarHBondContact O-N 2.66Å; E253-M257 VanDerWaalsContact O-CB 3.26Å; E253-M257 WeakPolarHBondContact O-CB 3.34Å; E253-M257 PolarHBondContact O-N 2.9Å |
| 254 | K | 29.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 106.2 Ų | 106.2 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.9 | -25.6 | -178.2 | -74.6 | 169.5 | -177.5 | 144.4 | 0 | 113.2 | D251 P252 S258 | D251-K254 HydrophobicContact CB-CD 4.37Å; D251-K254 PolarHBondContact O-N 2.95Å; D251-K254 IonicContact OD2-NZ 2.68Å; D251-K254 PolarHBondContact OD2-NZ 2.98Å; P252-K254 VanDerWaalsContact C-N 3.29Å; P252-K254 PolarHBondContact O-N 2.93Å; K254-S258 PolarHBondContact O-N 3.37Å |
| 255 | A | 28.3 | Very low | 34.4 | Very low | 61 Ų | 61 | 100.3 Ų | 100.3 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -81.7 | -32.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P252 E253 M257 S258 T259 | P252-A255 PolarHBondContact O-N 3.19Å; E253-A255 VanDerWaalsContact C-N 3.31Å; E253-A255 PolarHBondContact O-N 3.4Å; A255-M257 VanDerWaalsContact C-N 3.33Å; A255-S258 PolarHBondContact O-OG 3.24Å; A255-S258 VanDerWaalsContact O-OG 3.1Å; A255-T259 PolarHBondContact O-N 3.28Å; A255-T259 PolarHBondContact O-OG1 3.49Å |
| 256 | V | 30.2 | Very low | 35.7 | Very low | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -35.7 | 170.9 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | P252 E253 T259 S260 | P252-V256 WeakPolarHBondContact O-CG2 3.49Å; P252-V256 PolarHBondContact O-N 3.18Å; P252-V256 VanDerWaalsContact O-N 3.1Å; E253-V256 PolarHBondContact O-N 2.66Å; V256-T259 WeakPolarHBondContact CA-OG1 3.38Å; V256-T259 PolarHBondContact O-N 3.16Å; V256-T259 PolarHBondContact O-OG1 2.79Å; V256-S260 WeakPolarHBondContact O-CB 3.4Å; V256-S260 PolarHBondContact O-N 2.86Å; V256-S260 PolarHBondContact O-OG 3.45Å |
| 257 | M | 27.1 | Very low | 37.1 | Very low | 147 Ų | 147 | 89.5 Ų | 89.5 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77.3 | -20.6 | -177.9 | -165.3 | 163.5 | 175.4 | 0 | 0 | 114 | E253 A255 S260 | E253-M257 VanDerWaalsContact O-CB 3.26Å; E253-M257 WeakPolarHBondContact O-CB 3.34Å; E253-M257 PolarHBondContact O-N 2.9Å; A255-M257 VanDerWaalsContact C-N 3.33Å; M257-S260 PolarHBondContact O-OG 2.8Å |
| 258 | S | 35.9 | Very low | 38.6 | Very low | 73 Ų | 73 | 91.3 Ų | 91.3 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -87.4 | -25.1 | 170.4 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | K254 A255 | K254-S258 PolarHBondContact O-N 3.37Å; A255-S258 PolarHBondContact O-OG 3.24Å; A255-S258 VanDerWaalsContact O-OG 3.1Å |
| 259 | T | 34.8 | Very low | 39.8 | Very low | 52 Ų | 52 | 90 Ų | 90 | 32% | 0.319 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -81.8 | -39.2 | 175.5 | 42.5 | 0 | 0 | 0 | 0 | 112.4 | A255 V256 S261 W262 L263 | A255-T259 PolarHBondContact O-N 3.28Å; A255-T259 PolarHBondContact O-OG1 3.49Å; V256-T259 WeakPolarHBondContact CA-OG1 3.38Å; V256-T259 PolarHBondContact O-N 3.16Å; V256-T259 PolarHBondContact O-OG1 2.79Å; T259-S261 VanDerWaalsContact C-N 3.35Å; T259-S261 PolarHBondContact O-N 2.98Å; T259-W262 PolarHBondContact O-N 3.43Å; T259-L263 WeakPolarHBondContact O-CD1 3.49Å |
| 260 | S | 40 | Very low | 41 | Very low | 50 Ų | 50 | 84.2 Ų | 84.2 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | V256 M257 W262 L263 D264 | V256-S260 WeakPolarHBondContact O-CB 3.4Å; V256-S260 PolarHBondContact O-N 2.86Å; V256-S260 PolarHBondContact O-OG 3.45Å; M257-S260 PolarHBondContact O-OG 2.8Å; S260-W262 PolarHBondContact O-N 2.58Å; S260-W262 VanDerWaalsContact O-N 3.13Å; S260-L263 PolarHBondContact O-N 3.32Å; S260-D264 PolarHBondContact O-N 3.46Å |
| 261 | S | 48.2 | Very low | 42.1 | Very low | 66 Ų | 66 | 83 Ų | 83 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55 | -30.9 | 178 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | T259 L265 | T259-S261 VanDerWaalsContact C-N 3.35Å; T259-S261 PolarHBondContact O-N 2.98Å; S261-L265 WeakPolarHBondContact O-CD1 3.47Å; S261-L265 WeakPolarHBondContact O-CG 3.28Å |
| 262 | W | 51.4 | Low | 42.9 | Very low | 35 Ų | 35 | 82.6 Ų | 82.6 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 173.2 | 130.8 | -10.5 | 0 | 0 | 0 | 112.1 | Q94 C112 V113 T259 S260 L265 | Q94-W262 HydrophobicContact CB-CH2 4.47Å; Q94-W262 HydrophobicContact CG-CE3 4.41Å; Q94-W262 HydrophobicContact CG-CH2 3.22Å; Q94-W262 HydrophobicContact CG-CZ2 4.31Å; Q94-W262 HydrophobicContact CG-CZ3 3.33Å; C112-W262 HydrophobicContact CB-CE3 4.3Å; C112-W262 HydrophobicContact CB-CH2 3.24Å; C112-W262 HydrophobicContact CB-CZ2 3.88Å; C112-W262 HydrophobicContact CB-CZ3 3.44Å; C112-W262 VanDerWaalsContact CB-CZ3 3.44Å; C112-W262 WeakPolarHBondContact SG-CZ3 3.48Å; V113-W262 WeakPolarHBondContact O-CZ2 3.46Å; T259-W262 PolarHBondContact O-N 3.43Å; S260-W262 PolarHBondContact O-N 2.58Å; S260-W262 VanDerWaalsContact O-N 3.13Å; W262-L265 WeakPolarHBondContact O-CB 3.31Å; W262-L265 PolarHBondContact O-N 3.34Å |
| 263 | L | 53.7 | Low | 44 | Very low | 70 Ų | 70 | 81.3 Ų | 81.3 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.1 | -38.2 | -172.2 | -89.2 | 95.4 | 0 | 0 | 0 | 111.9 | P92 T259 S260 L265 I266 | P92-L263 HydrophobicContact CB-CD1 4.05Å; P92-L263 HydrophobicContact CB-CD2 4.25Å; P92-L263 HydrophobicContact CG-CD1 4.29Å; P92-L263 HydrophobicContact CG-CD2 4.01Å; T259-L263 WeakPolarHBondContact O-CD1 3.49Å; S260-L263 PolarHBondContact O-N 3.32Å; L263-L265 PolarHBondContact O-N 2.86Å; L263-L265 VanDerWaalsContact O-N 3.12Å; L263-I266 PolarHBondContact O-N 3.45Å |
| 264 | D | 53.5 | Low | 45.2 | Very low | 133 Ų | 133 | 78 Ų | 78 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.2 | 174.9 | -64.8 | -27.7 | 0 | 0 | 0 | 112.8 | S260 | S260-D264 PolarHBondContact O-N 3.46Š|
| 265 | L | 51.8 | Low | 46.5 | Very low | 65 Ų | 65 | 78.2 Ų | 78.2 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.9 | 174.5 | -65.6 | 169.5 | 0 | 0 | 0 | 113.2 | R22 S261 W262 L263 P267 | R22-L265 VanDerWaalsContact CZ-O 3.28Å; R22-L265 PolarHBondContact NE-O 3.12Å; R22-L265 PolarHBondContact NH2-O 3.38Å; S261-L265 WeakPolarHBondContact O-CD1 3.47Å; S261-L265 WeakPolarHBondContact O-CG 3.28Å; W262-L265 WeakPolarHBondContact O-CB 3.31Å; W262-L265 PolarHBondContact O-N 3.34Å; L263-L265 PolarHBondContact O-N 2.86Å; L263-L265 VanDerWaalsContact O-N 3.12Å; L265-P267 WeakPolarHBondContact O-CD 3.37Å |
| 266 | I | 55 | Low | 48.4 | Very low | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.138 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -84.3 | 123.5 | -173.2 | -58.7 | 177.3 | 0 | 0 | 0 | 111 | A114 V116 L127 L263 Q268 | A114-I266 HydrophobicContact CB-CD1 3.26Å; V116-I266 HydrophobicContact CG2-CG2 4.23Å; L127-I266 HydrophobicContact CD2-CD1 4.35Å; L127-I266 HydrophobicContact CD2-CG1 4.26Å; L263-I266 PolarHBondContact O-N 3.45Å; I266-Q268 PolarHBondContact O-N 2.95Å |
| 267 | P | 55.3 | Low | 50.4 | Low | 32 Ų | 32 | 75.6 Ų | 75.6 | 21% | 0.208 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 124.4 | 174.5 | -23.5 | 36.3 | 0 | 0 | 0 | 112.2 | I19 L265 | I19-P267 HydrophobicContact CG1-CB 4.07Å; I19-P267 HydrophobicContact CG1-CG 3.93Å; L265-P267 WeakPolarHBondContact O-CD 3.37Å |
| 268 | Q | 54.6 | Low | 52.4 | Low | 125 Ų | 125 | 73.9 Ų | 73.9 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 142.4 | 161 | -64.6 | -179.7 | -6.5 | 0 | 0 | 109.3 | I266 K270 | I266-Q268 PolarHBondContact O-N 2.95Å; Q268-K270 VanDerWaalsContact C-N 3.32Å; Q268-K270 HydrophobicContact CB-CG 4.13Å; Q268-K270 PolarHBondContact O-N 2.97Å; Q268-K270 VanDerWaalsContact OE1-CE 3.24Å |
| 269 | Y | 51 | Low | 54.6 | Low | 71 Ų | 71 | 78.1 Ų | 78.1 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | trans | -71.1 | 92.2 | 167.2 | 176.7 | -58.4 | 0 | 0 | 0 | 106.6 | F15 R117 N118 E119 V124 | F15-Y269 AromaticContact CD1-CD2 3.8Å; F15-Y269 HydrophobicContact CD1-CD2 3.8Å; F15-Y269 HydrophobicContact CD1-CE2 4.35Å; F15-Y269 AromaticContact CE1-CD2 3.46Å; F15-Y269 HydrophobicContact CE1-CD2 3.46Å; F15-Y269 VanDerWaalsContact CE1-CD2 3.46Å; F15-Y269 HydrophobicContact CE1-CE2 4.34Å; F15-Y269 HydrophobicContact CE1-CG 4.14Å; F15-Y269 VanDerWaalsContact CE2-CA 3.41Å; F15-Y269 HydrophobicContact CE2-CD2 4.5Å; F15-Y269 HydrophobicContact CE2-CG 4.4Å; F15-Y269 HydrophobicContact CG-CD2 4.44Å; F15-Y269 VanDerWaalsContact CZ-CB 3.49Å; F15-Y269 AromaticContact CZ-CD2 3.84Å; F15-Y269 HydrophobicContact CZ-CD2 3.84Å; F15-Y269 HydrophobicContact CZ-CG 4.06Å; R117-Y269 WeakPolarHBondContact O-CB 3.27Å; R117-Y269 PolarHBondContact O-N 3.42Å; N118-Y269 CarbonylContact C-O 3.48Å; N118-Y269 WeakPolarHBondContact CA-O 3.43Å; N118-Y269 HydrophobicContact CB-CD1 3.45Å; N118-Y269 VanDerWaalsContact CB-CD1 3.45Å; N118-Y269 HydrophobicContact CB-CE1 3.98Å; N118-Y269 HydrophobicContact CB-CG 3.91Å; E119-Y269 PolarHBondContact N-O 3.48Å; V124-Y269 HydrophobicContact CB-CD2 4.43Å; V124-Y269 HydrophobicContact CG1-CE2 4.24Å; V124-Y269 HydrophobicContact CG2-CD2 4.09Å; V124-Y269 HydrophobicContact CG2-CE2 4.37Å; V124-Y269 HydrophobicContact CG2-CG 4.37Å | ||
| 270 | K | 49.6 | Very low | 57.1 | Low | 74 Ų | 74 | 76.5 Ų | 76.5 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | trans | -131.6 | 133.9 | 166.6 | -53.3 | -157.1 | 169 | -173.8 | 0 | 109.8 | E119 Q268 E272 | E119-K270 HydrophobicContact CG-CB 3.88Å; E119-K270 HydrophobicContact CG-CD 4.42Å; E119-K270 HydrophobicContact CG-CG 3.87Å; E119-K270 WeakPolarHBondContact OE1-CA 3.49Å; Q268-K270 VanDerWaalsContact C-N 3.32Å; Q268-K270 HydrophobicContact CB-CG 4.13Å; Q268-K270 PolarHBondContact O-N 2.97Å; Q268-K270 VanDerWaalsContact OE1-CE 3.24Å; K270-E272 HydrophobicContact CB-CG 3.76Å; K270-E272 HydrophobicContact CD-CG 4.47Å; K270-E272 PolarHBondContact O-N 2.74Å; K270-E272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | Q | 49.1 | Very low | 59.4 | Low | 79 Ų | 79 | 76.1 Ų | 76.1 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | trans | -85.8 | 37 | 176.5 | -161.9 | 172.2 | -3.6 | 0 | 0 | 110.4 | P11 E119 | P11-Q271 HydrophobicContact CB-CG 4.25Å; E119-Q271 PolarHBondContact OE1-N 2.92Å | ||
| 272 | E | 43.7 | Very low | 61.1 | Low | 85 Ų | 85 | 74.3 Ų | 74.3 | 40% | 0.397 | 39% | 0.39 | S | S | . | . | trans | -63.2 | 143.6 | 179.5 | -71.2 | 168.5 | 145.8 | 0 | 0 | 111 | K270 K275 | K270-E272 HydrophobicContact CB-CG 3.76Å; K270-E272 HydrophobicContact CD-CG 4.47Å; K270-E272 PolarHBondContact O-N 2.74Å; K270-E272 VanDerWaalsContact O-N 3.16Å; E272-K275 VanDerWaalsContact CD-CE 3.45Å; E272-K275 WeakPolarHBondContact OE1-CE 3.31Å; E272-K275 IonicContact OE1-NZ 2.68Å; E272-K275 PolarHBondContact OE1-NZ 2.98Å; E272-K275 WeakPolarHBondContact OE2-CE 3.31Å; E272-K275 IonicContact OE2-NZ 3.3Å; E272-K275 PolarHBondContact OE2-NZ 3.17Å | ||
| 273 | A | 52.5 | Low | 62.6 | Low | 71 Ų | 71 | 75.2 Ų | 75.2 | 59% | 0.587 | 40% | 0.395 | S | S | * | . | trans | -50.8 | 145.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K275 | A273-K275 PolarHBondContact O-N 2.91Š| ||
| 274 | P | 54.7 | Low | 63.9 | Low | 81 Ų | 81 | 77 Ų | 77 | 53% | 0.526 | 40% | 0.397 | S | S | . | . | trans | -59 | 103.7 | -174.2 | 24 | -34.1 | 0 | 0 | 0 | 110.6 | T276 | P274-T276 PolarHBondContact O-N 2.8Š| ||
| 275 | K | 56.6 | Low | 65.4 | Low | 153 Ų | 153 | 73.2 Ų | 73.2 | 67% | 0.665 | 38% | 0.379 | S | S | * | . | trans | -58.6 | 97.6 | -179.6 | -78.7 | 175.1 | 170.1 | 160.6 | 0 | 109.8 | E272 A273 | E272-K275 VanDerWaalsContact CD-CE 3.45Å; E272-K275 WeakPolarHBondContact OE1-CE 3.31Å; E272-K275 IonicContact OE1-NZ 2.68Å; E272-K275 PolarHBondContact OE1-NZ 2.98Å; E272-K275 WeakPolarHBondContact OE2-CE 3.31Å; E272-K275 IonicContact OE2-NZ 3.3Å; E272-K275 PolarHBondContact OE2-NZ 3.17Å; A273-K275 PolarHBondContact O-N 2.91Å | ||
| 276 | T | 67 | Low | 67 | Low | 38 Ų | 38 | 73.6 Ų | 73.6 | 23% | 0.233 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 144.3 | 162.8 | 48.1 | 0 | 0 | 0 | 0 | 108.5 | P274 I280 L282 T344 | P274-T276 PolarHBondContact O-N 2.8Å; T276-I280 HydrophobicContact CG2-CG2 4.2Å; T276-L282 HydrophobicContact CG2-CD1 3.73Å; T276-L282 HydrophobicContact CG2-CD2 4.12Å; T276-L282 HydrophobicContact CG2-CG 3.86Å; T276-T344 HydrophobicContact CG2-CG2 4.29Å |
| 277 | P | 72.3 | Confident | 68.6 | Low | 61 Ų | 61 | 78 Ų | 78 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.8 | 172.2 | 29.2 | -35.6 | 0 | 0 | 0 | 109.8 | I280 | P277-I280 HydrophobicContact CG-CB 4.47Å; P277-I280 HydrophobicContact CG-CD1 3.49Å; P277-I280 VanDerWaalsContact CG-CD1 3.49Å; P277-I280 HydrophobicContact CG-CG1 4Å; P277-I280 PolarHBondContact O-N 2.96Å |
| 278 | P | 70.4 | Confident | 70.1 | Confident | 111 Ų | 111 | 77.2 Ų | 77.2 | 72% | 0.721 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 149.5 | 175.2 | 24.7 | -34.2 | 0 | 0 | 0 | 110.7 | I280 | P278-I280 VanDerWaalsContact C-N 3.31Å; P278-I280 PolarHBondContact O-N 3.14Å |
| 279 | H | 81 | Confident | 71.5 | Confident | 161 Ų | 161 | 73.7 Ų | 73.7 | 75% | 0.745 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 11 | -173.4 | -40.8 | -78.7 | 0 | 0 | 0 | 116.4 | H342 | H279-H342 WeakPolarHBondContact O-CB 3.24Å; H279-H342 PolarHBondContact O-CD2 3.42Å; H279-H342 VanDerWaalsContact O-CD2 3.25Å |
| 280 | I | 87.1 | Confident | 73.3 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | trans | -105 | 129.1 | 166.4 | -66.3 | -172 | 0 | 0 | 0 | 111.3 | T276 P277 P278 H342 T344 S354 A356 I359 | T276-I280 HydrophobicContact CG2-CG2 4.2Å; P277-I280 HydrophobicContact CG-CB 4.47Å; P277-I280 HydrophobicContact CG-CD1 3.49Å; P277-I280 VanDerWaalsContact CG-CD1 3.49Å; P277-I280 HydrophobicContact CG-CG1 4Å; P277-I280 PolarHBondContact O-N 2.96Å; P278-I280 VanDerWaalsContact C-N 3.31Å; P278-I280 PolarHBondContact O-N 3.14Å; I280-H342 CarbonylContact C-O 3.48Å; I280-H342 WeakPolarHBondContact CA-O 3.04Å; I280-T344 HydrophobicContact CG2-CG2 3.47Å; I280-T344 VanDerWaalsContact CG2-CG2 3.47Å; I280-S354 WeakPolarHBondContact CD1-O 3.32Å; I280-A356 HydrophobicContact CD1-CB 4.04Å; I280-I359 HydrophobicContact CD1-CD1 4.04Å; I280-I359 HydrophobicContact CG2-CD1 4.37Å | ||
| 281 | I | 88.3 | Confident | 75.2 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 135.6 | 178.8 | -58.2 | 172.4 | 0 | 0 | 0 | 108.7 | F287 K288 L339 H342 T343 T344 | I281-F287 HydrophobicContact CD1-CE1 4.39Å; I281-K288 HydrophobicContact CG2-CB 4.21Å; I281-L339 HydrophobicContact CD1-CD2 3.65Å; I281-H342 PolarHBondContact N-O 3.3Å; I281-T343 HydrophobicContact CB-CG2 4.08Å; I281-T343 HydrophobicContact CG2-CG2 4.29Å; I281-T343 CarbonylContact O-C 3.56Å; I281-T343 VanDerWaalsContact O-CA 3.25Å; I281-T343 WeakPolarHBondContact O-CA 3.33Å; I281-T344 PolarHBondContact O-N 3.38Å |
| 282 | L | 85.3 | Confident | 76.9 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | trans | -87.6 | 133.6 | 178.3 | -62.1 | 78.4 | 0 | 0 | 0 | 110.1 | T276 Y284 V285 T344 | T276-L282 HydrophobicContact CG2-CD1 3.73Å; T276-L282 HydrophobicContact CG2-CD2 4.12Å; T276-L282 HydrophobicContact CG2-CG 3.86Å; L282-Y284 HydrophobicContact CB-CD1 4.24Å; L282-Y284 HydrophobicContact CB-CE1 3.89Å; L282-Y284 HydrophobicContact CD2-CE1 3.74Å; L282-Y284 WeakPolarHBondContact CD2-OH 3.43Å; L282-Y284 HydrophobicContact CG-CE1 4.45Å; L282-Y284 PolarHBondContact O-N 2.75Å; L282-V285 HydrophobicContact CB-CG2 3.89Å; L282-V285 WeakPolarHBondContact O-CB 3.42Å; L282-V285 PolarHBondContact O-N 2.89Å; L282-T344 WeakPolarHBondContact CA-OG1 3.14Å; L282-T344 HydrophobicContact CG-CG2 4.4Å | ||
| 283 | H | 82.4 | Confident | 78.8 | Confident | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20.9 | -173.9 | 60.1 | -88.5 | 0 | 0 | 0 | 115.9 | T344 V346 | H283-T344 WeakPolarHBondContact CB-O 3.28Å; H283-T344 PolarHBondContact N-OG1 3.36Å; H283-T344 PolarHBondContact ND1-OG1 3.47Å; H283-V346 VanDerWaalsContact CE1-CG2 3.47Å; H283-V346 WeakPolarHBondContact CE1-CG2 3.49Å; H283-V346 WeakPolarHBondContact NE2-CG2 3.12Å |
| 284 | Y | 81.4 | Confident | 80.5 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -0.5 | -179 | 64.4 | -98.1 | 0 | 0 | 0 | 114 | V9 L282 | V9-Y284 HydrophobicContact CG1-CE1 4.35Å; V9-Y284 WeakPolarHBondContact CG1-OH 3.36Å; V9-Y284 HydrophobicContact CG2-CD1 4.33Å; V9-Y284 HydrophobicContact CG2-CE1 3.76Å; L282-Y284 HydrophobicContact CB-CD1 4.24Å; L282-Y284 HydrophobicContact CB-CE1 3.89Å; L282-Y284 HydrophobicContact CD2-CE1 3.74Å; L282-Y284 WeakPolarHBondContact CD2-OH 3.43Å; L282-Y284 HydrophobicContact CG-CE1 4.45Å; L282-Y284 PolarHBondContact O-N 2.75Å |
| 285 | V | 84.7 | Confident | 82 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -70.2 | 136.9 | 179.9 | 165.7 | 0 | 0 | 0 | 0 | 110.4 | L282 F287 K288 T289 | L282-V285 HydrophobicContact CB-CG2 3.89Å; L282-V285 WeakPolarHBondContact O-CB 3.42Å; L282-V285 PolarHBondContact O-N 2.89Å; V285-F287 VanDerWaalsContact C-N 3.25Å; V285-F287 HydrophobicContact CG1-CB 4.18Å; V285-F287 PolarHBondContact O-N 2.89Å; V285-F287 VanDerWaalsContact O-N 3.11Å; V285-K288 WeakPolarHBondContact O-CA 3.38Å; V285-K288 WeakPolarHBondContact O-CB 3.46Å; V285-K288 PolarHBondContact O-N 3.47Å; V285-T289 PolarHBondContact O-N 3.47Å; V285-T289 VanDerWaalsContact O-N 3.13Å |
| 286 | A | 85.3 | Confident | 83.2 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -49 | -42.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K288 T289 T290 | A286-K288 PolarHBondContact O-N 2.89Å; A286-T289 WeakPolarHBondContact O-CB 3.46Å; A286-T289 PolarHBondContact O-N 3.34Å; A286-T289 VanDerWaalsContact O-N 3.15Å; A286-T290 PolarHBondContact O-N 2.89Å; A286-T290 PolarHBondContact O-OG1 3.43Å |
| 287 | F | 89.1 | Confident | 84.1 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.7 | -45.3 | 173.6 | 171.4 | -100.4 | 0 | 0 | 0 | 113.1 | I281 V285 T290 W291 | I281-F287 HydrophobicContact CD1-CE1 4.39Å; V285-F287 VanDerWaalsContact C-N 3.25Å; V285-F287 HydrophobicContact CG1-CB 4.18Å; V285-F287 PolarHBondContact O-N 2.89Å; V285-F287 VanDerWaalsContact O-N 3.11Å; F287-T290 PolarHBondContact O-N 3.32Å; F287-W291 WeakPolarHBondContact O-CB 3.31Å; F287-W291 PolarHBondContact O-N 2.81Å |
| 288 | K | 86.4 | Confident | 84.7 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 178.1 | -176.1 | 56.3 | 169.8 | 74.8 | 0 | 111.5 | I281 V285 A286 W291 D292 T343 | I281-K288 HydrophobicContact CG2-CB 4.21Å; V285-K288 WeakPolarHBondContact O-CA 3.38Å; V285-K288 WeakPolarHBondContact O-CB 3.46Å; V285-K288 PolarHBondContact O-N 3.47Å; A286-K288 PolarHBondContact O-N 2.89Å; K288-W291 PolarHBondContact O-N 3.12Å; K288-D292 IonicContact NZ-OD1 3.25Å; K288-D292 PolarHBondContact NZ-OD1 2.87Å; K288-D292 IonicContact NZ-OD2 3.45Å; K288-D292 PolarHBondContact NZ-OD2 2.81Å; K288-D292 WeakPolarHBondContact O-CB 3.43Å; K288-D292 VanDerWaalsContact O-CG 3.24Å; K288-D292 PolarHBondContact O-N 3.16Å; K288-T343 HydrophobicContact CD-CG2 3.88Å; K288-T343 HydrophobicContact CG-CG2 4.41Å |
| 289 | T | 84.1 | Confident | 85.4 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 173.7 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | V285 A286 W291 D292 W293 | V285-T289 PolarHBondContact O-N 3.47Å; V285-T289 VanDerWaalsContact O-N 3.13Å; A286-T289 WeakPolarHBondContact O-CB 3.46Å; A286-T289 PolarHBondContact O-N 3.34Å; A286-T289 VanDerWaalsContact O-N 3.15Å; T289-W291 VanDerWaalsContact C-N 3.34Å; T289-W291 PolarHBondContact O-N 3.29Å; T289-D292 PolarHBondContact O-N 2.79Å; T289-W293 VanDerWaalsContact O-CD1 3.24Å; T289-W293 PolarHBondContact O-N 3.16Å; T289-W293 VanDerWaalsContact O-N 3.09Å |
| 290 | T | 88.2 | Confident | 85.5 | Confident | 79 Ų | 79 | 55 Ų | 55 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | A286 F287 W293 L294 | A286-T290 PolarHBondContact O-N 2.89Å; A286-T290 PolarHBondContact O-OG1 3.43Å; F287-T290 PolarHBondContact O-N 3.32Å; T290-W293 PolarHBondContact O-N 3.03Å; T290-L294 PolarHBondContact O-N 2.89Å |
| 291 | W | 89.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 172.6 | -175.2 | -90.3 | 0 | 0 | 0 | 112.1 | F287 K288 T289 W293 L294 I295 I332 I335 D336 L339 | F287-W291 WeakPolarHBondContact O-CB 3.31Å; F287-W291 PolarHBondContact O-N 2.81Å; K288-W291 PolarHBondContact O-N 3.12Å; T289-W291 VanDerWaalsContact C-N 3.34Å; T289-W291 PolarHBondContact O-N 3.29Å; W291-W293 VanDerWaalsContact C-N 3.29Å; W291-W293 PolarHBondContact O-N 2.86Å; W291-L294 HydrophobicContact CE3-CD2 4.29Å; W291-L294 HydrophobicContact CZ3-CD2 4.25Å; W291-L294 WeakPolarHBondContact O-CB 3.4Å; W291-L294 PolarHBondContact O-N 3.07Å; W291-L294 VanDerWaalsContact O-N 3.15Å; W291-I295 HydrophobicContact CG-CG1 4.48Å; W291-I295 HydrophobicContact CZ2-CD1 4.14Å; W291-I295 WeakPolarHBondContact O-CG1 3.31Å; W291-I295 PolarHBondContact O-N 3.24Å; W291-I332 HydrophobicContact CH2-CG2 3.91Å; W291-I332 HydrophobicContact CZ2-CG2 4.01Å; W291-I335 HydrophobicContact CH2-CB 4.3Å; W291-I335 HydrophobicContact CH2-CG2 3.69Å; W291-I335 HydrophobicContact CZ2-CB 4.34Å; W291-I335 HydrophobicContact CZ2-CG2 3.87Å; W291-D336 HydrophobicContact CZ2-CB 4.31Å; W291-D336 PolarHBondContact NE1-OD1 3.1Å; W291-L339 HydrophobicContact CD2-CD1 3.78Å; W291-L339 HydrophobicContact CE3-CD1 4.28Å; W291-L339 HydrophobicContact CG-CD1 4.28Å; W291-L339 HydrophobicContact CH2-CD1 4.14Å; W291-L339 HydrophobicContact CZ2-CD1 3.61Å; W291-L339 HydrophobicContact CZ3-CD1 4.44Å |
| 292 | D | 84.5 | Confident | 85.4 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -34.2 | 176.9 | -74.1 | -28.1 | 0 | 0 | 0 | 112.5 | K288 T289 L296 K414 | K288-D292 IonicContact NZ-OD1 3.25Å; K288-D292 PolarHBondContact NZ-OD1 2.87Å; K288-D292 IonicContact NZ-OD2 3.45Å; K288-D292 PolarHBondContact NZ-OD2 2.81Å; K288-D292 WeakPolarHBondContact O-CB 3.43Å; K288-D292 VanDerWaalsContact O-CG 3.24Å; K288-D292 PolarHBondContact O-N 3.16Å; T289-D292 PolarHBondContact O-N 2.79Å; D292-L296 WeakPolarHBondContact O-CB 3.4Å; D292-L296 PolarHBondContact O-N 2.92Å; D292-K414 WeakPolarHBondContact OD2-CE 3.47Å; D292-K414 IonicContact OD2-NZ 3.5Å; D292-K414 PolarHBondContact OD2-NZ 3.13Å |
| 293 | W | 84.6 | Confident | 85.4 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 43% | 0.432 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 170 | -80.3 | 109.2 | 0 | 0 | 0 | 112.7 | T289 T290 W291 I295 L296 F297 Y418 | T289-W293 VanDerWaalsContact O-CD1 3.24Å; T289-W293 PolarHBondContact O-N 3.16Å; T289-W293 VanDerWaalsContact O-N 3.09Å; T290-W293 PolarHBondContact O-N 3.03Å; W291-W293 VanDerWaalsContact C-N 3.29Å; W291-W293 PolarHBondContact O-N 2.86Å; W293-I295 VanDerWaalsContact C-N 3.33Å; W293-I295 PolarHBondContact O-N 3.27Å; W293-L296 HydrophobicContact CE3-CD2 3.85Å; W293-L296 HydrophobicContact CZ3-CD2 3.83Å; W293-L296 WeakPolarHBondContact O-CB 3.26Å; W293-L296 PolarHBondContact O-N 3.32Å; W293-L296 VanDerWaalsContact O-N 3.17Å; W293-F297 HydrophobicContact CE3-CE2 4.23Å; W293-F297 HydrophobicContact CE3-CZ 4.45Å; W293-F297 WeakPolarHBondContact O-CD2 3.43Å; W293-F297 PolarHBondContact O-N 2.68Å; W293-Y418 HydrophobicContact CH2-CD1 4.49Å; W293-Y418 AromaticContact CH2-CE1 3.56Å; W293-Y418 HydrophobicContact CH2-CE1 3.56Å; W293-Y418 AromaticContact CZ2-CE1 3.6Å; W293-Y418 HydrophobicContact CZ2-CE1 3.6Å; W293-Y418 HydrophobicContact CZ3-CE1 4.28Å |
| 294 | L | 88.5 | Confident | 85.7 | Confident | 76 Ų | 76 | 54 Ų | 54 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.5 | 177.5 | 62.7 | 0 | 0 | 0 | 111.1 | T290 W291 L296 F297 L298 | T290-L294 PolarHBondContact O-N 2.89Å; W291-L294 HydrophobicContact CE3-CD2 4.29Å; W291-L294 HydrophobicContact CZ3-CD2 4.25Å; W291-L294 WeakPolarHBondContact O-CB 3.4Å; W291-L294 PolarHBondContact O-N 3.07Å; W291-L294 VanDerWaalsContact O-N 3.15Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 2.88Å; L294-F297 PolarHBondContact O-N 3.21Å; L294-L298 HydrophobicContact CD1-CD1 4.14Å; L294-L298 HydrophobicContact CD1-CG 4.3Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 VanDerWaalsContact O-CG 3.29Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 2.85Å |
| 295 | I | 85.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -33.9 | 177.2 | -66.7 | -65.8 | 0 | 0 | 0 | 112 | W291 W293 T299 I332 F333 D336 | W291-I295 HydrophobicContact CG-CG1 4.48Å; W291-I295 HydrophobicContact CZ2-CD1 4.14Å; W291-I295 WeakPolarHBondContact O-CG1 3.31Å; W291-I295 PolarHBondContact O-N 3.24Å; W293-I295 VanDerWaalsContact C-N 3.33Å; W293-I295 PolarHBondContact O-N 3.27Å; I295-T299 VanDerWaalsContact O-CB 3.3Å; I295-T299 WeakPolarHBondContact O-CB 3.28Å; I295-T299 PolarHBondContact O-N 3.34Å; I295-T299 PolarHBondContact O-OG1 2.9Å; I295-I332 HydrophobicContact CD1-CG2 3.95Å; I295-F333 HydrophobicContact CD1-CD1 4.37Å; I295-F333 HydrophobicContact CD1-CE1 4.34Å; I295-F333 HydrophobicContact CG2-CE1 3.93Å; I295-D336 HydrophobicContact CD1-CB 3.84Å; I295-D336 HydrophobicContact CG1-CB 4.46Å |
| 296 | L | 81.5 | Confident | 85.7 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 172.7 | 178.8 | 61.9 | 0 | 0 | 0 | 111.8 | D292 W293 L294 T299 G300 V411 Y418 | D292-L296 WeakPolarHBondContact O-CB 3.4Å; D292-L296 PolarHBondContact O-N 2.92Å; W293-L296 HydrophobicContact CE3-CD2 3.85Å; W293-L296 HydrophobicContact CZ3-CD2 3.83Å; W293-L296 WeakPolarHBondContact O-CB 3.26Å; W293-L296 PolarHBondContact O-N 3.32Å; W293-L296 VanDerWaalsContact O-N 3.17Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 2.88Å; L296-T299 WeakPolarHBondContact O-CB 3.38Å; L296-T299 PolarHBondContact O-N 3.45Å; L296-G300 PolarHBondContact O-N 2.73Å; L296-V411 HydrophobicContact CD1-CB 4.33Å; L296-V411 HydrophobicContact CD1-CG1 3.88Å; L296-V411 HydrophobicContact CD1-CG2 3.62Å; L296-Y418 HydrophobicContact CD2-CE2 4.1Å |
| 297 | F | 85.2 | Confident | 85.7 | Confident | 144 Ų | 144 | 46.2 Ų | 46.2 | 63% | 0.632 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -43.8 | 177.2 | -71 | -64.6 | 0 | 0 | 0 | 112.3 | W293 L294 T299 G300 Y301 | W293-F297 HydrophobicContact CE3-CE2 4.23Å; W293-F297 HydrophobicContact CE3-CZ 4.45Å; W293-F297 WeakPolarHBondContact O-CD2 3.43Å; W293-F297 PolarHBondContact O-N 2.68Å; L294-F297 PolarHBondContact O-N 3.21Å; F297-T299 VanDerWaalsContact C-N 3.32Å; F297-T299 PolarHBondContact O-N 3.47Å; F297-G300 PolarHBondContact O-N 3.48Å; F297-Y301 PolarHBondContact O-N 3.14Å |
| 298 | L | 86.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.4 | -66.8 | 174.5 | 0 | 0 | 0 | 112.4 | L294 Y301 T302 V329 I332 F333 | L294-L298 HydrophobicContact CD1-CD1 4.14Å; L294-L298 HydrophobicContact CD1-CG 4.3Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 VanDerWaalsContact O-CG 3.29Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 2.85Å; L298-Y301 PolarHBondContact O-N 2.78Å; L298-T302 PolarHBondContact O-N 2.84Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 2.92Å; L298-V329 HydrophobicContact CD2-CG2 4.18Å; L298-I332 HydrophobicContact CD1-CB 4.1Å; L298-I332 HydrophobicContact CD1-CD1 3.91Å; L298-I332 HydrophobicContact CD1-CG2 3.54Å; L298-F333 HydrophobicContact CB-CE2 3.96Å; L298-F333 HydrophobicContact CB-CZ 3.98Å |
| 299 | T | 83.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 172.4 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | I295 L296 F297 T302 A303 R407 V411 | I295-T299 VanDerWaalsContact O-CB 3.3Å; I295-T299 WeakPolarHBondContact O-CB 3.28Å; I295-T299 PolarHBondContact O-N 3.34Å; I295-T299 PolarHBondContact O-OG1 2.9Å; L296-T299 WeakPolarHBondContact O-CB 3.38Å; L296-T299 PolarHBondContact O-N 3.45Å; F297-T299 VanDerWaalsContact C-N 3.32Å; F297-T299 PolarHBondContact O-N 3.47Å; T299-T302 PolarHBondContact O-N 3.16Å; T299-T302 PolarHBondContact O-OG1 2.96Å; T299-A303 WeakPolarHBondContact O-CB 3.12Å; T299-A303 PolarHBondContact O-N 2.65Å; T299-R407 HydrophobicContact CG2-CB 3.92Å; T299-V411 HydrophobicContact CG2-CG2 4.22Å |
| 300 | G | 84.1 | Confident | 85.1 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L296 F297 T302 A303 V304 | L296-G300 PolarHBondContact O-N 2.73Å; F297-G300 PolarHBondContact O-N 3.48Å; G300-T302 PolarHBondContact O-N 2.76Å; G300-A303 PolarHBondContact O-N 3.12Å; G300-V304 PolarHBondContact O-N 3.06Å |
| 301 | Y | 88 | Confident | 84.8 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.7 | -51.5 | 172.6 | 167.5 | -90.5 | 0 | 0 | 0 | 111.5 | F297 L298 A303 V304 M305 V325 D326 V329 | F297-Y301 PolarHBondContact O-N 3.14Å; L298-Y301 PolarHBondContact O-N 2.78Å; Y301-A303 VanDerWaalsContact C-N 3.31Å; Y301-A303 PolarHBondContact O-N 3.47Å; Y301-V304 PolarHBondContact O-N 2.86Å; Y301-M305 HydrophobicContact CD2-CE 4.5Å; Y301-M305 HydrophobicContact CD2-CG 3.9Å; Y301-M305 HydrophobicContact CE1-CB 4.3Å; Y301-M305 HydrophobicContact CE1-CG 4.17Å; Y301-M305 HydrophobicContact CE2-CB 4.47Å; Y301-M305 HydrophobicContact CE2-CE 3.99Å; Y301-M305 HydrophobicContact CE2-CG 3.5Å; Y301-M305 HydrophobicContact CG-CG 4.39Å; Y301-M305 WeakPolarHBondContact O-CB 3.32Å; Y301-M305 PolarHBondContact O-N 3.43Å; Y301-V325 HydrophobicContact CE1-CG1 4.35Å; Y301-V325 HydrophobicContact CE2-CG1 4.29Å; Y301-V325 WeakPolarHBondContact OH-CG1 3.47Å; Y301-D326 PolarHBondContact OH-OD1 3.29Å; Y301-V329 HydrophobicContact CD1-CG2 4.11Å; Y301-V329 HydrophobicContact CE1-CG2 3.98Å |
| 302 | T | 84.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -30.1 | -179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | L298 T299 G300 V304 V306 V329 F333 | L298-T302 PolarHBondContact O-N 2.84Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 2.92Å; T299-T302 PolarHBondContact O-N 3.16Å; T299-T302 PolarHBondContact O-OG1 2.96Å; G300-T302 PolarHBondContact O-N 2.76Å; T302-V304 VanDerWaalsContact C-N 3.25Å; T302-V304 PolarHBondContact O-N 3.18Å; T302-V306 VanDerWaalsContact O-CB 3.25Å; T302-V306 WeakPolarHBondContact O-CB 3.25Å; T302-V306 VanDerWaalsContact O-CG2 3.31Å; T302-V306 WeakPolarHBondContact O-CG2 3.5Å; T302-V306 PolarHBondContact O-N 2.85Å; T302-V329 HydrophobicContact CG2-CG1 3.71Å; T302-F333 HydrophobicContact CG2-CE2 4.48Å |
| 303 | A | 85.2 | Confident | 83.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T299 G300 Y301 P307 L405 L435 W439 | T299-A303 WeakPolarHBondContact O-CB 3.12Å; T299-A303 PolarHBondContact O-N 2.65Å; G300-A303 PolarHBondContact O-N 3.12Å; Y301-A303 VanDerWaalsContact C-N 3.31Å; Y301-A303 PolarHBondContact O-N 3.47Å; A303-P307 VanDerWaalsContact O-CD 3.32Å; A303-P307 WeakPolarHBondContact O-CD 3.36Å; A303-P307 WeakPolarHBondContact O-CG 3.39Å; A303-L405 HydrophobicContact CB-CD2 4.36Å; A303-L435 HydrophobicContact CB-CD1 3.81Å; A303-L435 HydrophobicContact CB-CD2 3.98Å; A303-L435 WeakPolarHBondContact O-CD1 3.49Å; A303-W439 PolarHBondContact O-NE1 2.94Å |
| 304 | V | 87.9 | Confident | 82.4 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -90.7 | -51.5 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 111 | G300 Y301 T302 V306 P307 F308 L435 H438 | G300-V304 PolarHBondContact O-N 3.06Å; Y301-V304 PolarHBondContact O-N 2.86Å; T302-V304 VanDerWaalsContact C-N 3.25Å; T302-V304 PolarHBondContact O-N 3.18Å; V304-V306 PolarHBondContact O-N 3.45Å; V304-P307 WeakPolarHBondContact O-CD 3.43Å; V304-F308 WeakPolarHBondContact O-CB 3.36Å; V304-F308 PolarHBondContact O-N 3.44Å; V304-L435 HydrophobicContact CG2-CD1 3.97Å; V304-H438 PolarHBondContact O-NE2 2.98Å |
| 305 | M | 84.9 | Confident | 80.9 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.3 | -29.6 | -171.9 | -67.6 | -57.1 | -170.2 | 0 | 0 | 114 | Y301 N309 | Y301-M305 HydrophobicContact CD2-CE 4.5Å; Y301-M305 HydrophobicContact CD2-CG 3.9Å; Y301-M305 HydrophobicContact CE1-CB 4.3Å; Y301-M305 HydrophobicContact CE1-CG 4.17Å; Y301-M305 HydrophobicContact CE2-CB 4.47Å; Y301-M305 HydrophobicContact CE2-CE 3.99Å; Y301-M305 HydrophobicContact CE2-CG 3.5Å; Y301-M305 HydrophobicContact CG-CG 4.39Å; Y301-M305 WeakPolarHBondContact O-CB 3.32Å; Y301-M305 PolarHBondContact O-N 3.43Å; M305-N309 WeakPolarHBondContact O-CB 3.44Å; M305-N309 PolarHBondContact O-N 2.93Å; M305-N309 PolarHBondContact O-ND2 3.23Å |
| 306 | V | 82.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.4 | -51 | -179.8 | 169.9 | 0 | 0 | 0 | 0 | 112.3 | T302 V304 F308 N309 A310 K401 R404 | T302-V306 VanDerWaalsContact O-CB 3.25Å; T302-V306 WeakPolarHBondContact O-CB 3.25Å; T302-V306 VanDerWaalsContact O-CG2 3.31Å; T302-V306 WeakPolarHBondContact O-CG2 3.5Å; T302-V306 PolarHBondContact O-N 2.85Å; V304-V306 PolarHBondContact O-N 3.45Å; V306-F308 VanDerWaalsContact C-N 3.35Å; V306-F308 PolarHBondContact O-N 2.94Å; V306-N309 PolarHBondContact O-N 2.82Å; V306-A310 WeakPolarHBondContact O-CB 3.31Å; V306-A310 PolarHBondContact O-N 2.89Å; V306-K401 HydrophobicContact CG1-CB 3.99Å; V306-K401 WeakPolarHBondContact CG1-O 3.34Å; V306-R404 HydrophobicContact CG2-CB 4.24Å |
| 307 | P | 85.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 173 | -25.5 | 35.9 | 0 | 0 | 0 | 113.3 | A303 V304 A310 A311 C442 | A303-P307 VanDerWaalsContact O-CD 3.32Å; A303-P307 WeakPolarHBondContact O-CD 3.36Å; A303-P307 WeakPolarHBondContact O-CG 3.39Å; V304-P307 WeakPolarHBondContact O-CD 3.43Å; P307-A310 PolarHBondContact O-N 2.96Å; P307-A311 WeakPolarHBondContact O-CB 3.32Å; P307-A311 PolarHBondContact O-N 3.36Å; P307-C442 HydrophobicContact CB-CB 4.09Å |
| 308 | F | 86.6 | Confident | 76.8 | Confident | 65 Ų | 65 | 54 Ų | 54 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 176.6 | -176.9 | -100.5 | 0 | 0 | 0 | 111.8 | V304 V306 A310 A311 F312 Y492 | V304-F308 WeakPolarHBondContact O-CB 3.36Å; V304-F308 PolarHBondContact O-N 3.44Å; V306-F308 VanDerWaalsContact C-N 3.35Å; V306-F308 PolarHBondContact O-N 2.94Å; F308-A310 PolarHBondContact O-N 2.69Å; F308-A311 PolarHBondContact O-N 3.32Å; F308-F312 HydrophobicContact CD2-CB 4.46Å; F308-F312 AromaticContact CD2-CD2 3.58Å; F308-F312 HydrophobicContact CD2-CD2 3.58Å; F308-F312 HydrophobicContact CD2-CE2 4.14Å; F308-F312 HydrophobicContact CD2-CG 4.21Å; F308-F312 HydrophobicContact CE2-CB 4.17Å; F308-F312 AromaticContact CE2-CD2 3.8Å; F308-F312 HydrophobicContact CE2-CD2 3.8Å; F308-F312 HydrophobicContact CE2-CE2 4.41Å; F308-F312 AromaticContact CE2-CG 3.99Å; F308-F312 HydrophobicContact CE2-CG 3.99Å; F308-F312 HydrophobicContact CG-CD2 4.33Å; F308-F312 HydrophobicContact CZ-CB 4.28Å; F308-F312 PolarHBondContact O-N 3.37Å; F308-Y492 HydrophobicContact CD2-CD2 4.05Å; F308-Y492 HydrophobicContact CD2-CE2 4.18Å; F308-Y492 AromaticContact CE2-CD2 4Å; F308-Y492 HydrophobicContact CE2-CD2 4Å; F308-Y492 HydrophobicContact CE2-CE2 4.46Å; F308-Y492 HydrophobicContact CE2-CG 4.07Å |
| 309 | N | 81 | Confident | 75.8 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -20.9 | 177.8 | -70.7 | -19.9 | 0 | 0 | 0 | 113.3 | M305 V306 K313 | M305-N309 WeakPolarHBondContact O-CB 3.44Å; M305-N309 PolarHBondContact O-N 2.93Å; M305-N309 PolarHBondContact O-ND2 3.23Å; V306-N309 PolarHBondContact O-N 2.82Å; N309-K313 VanDerWaalsContact O-CB 3.28Å; N309-K313 WeakPolarHBondContact O-CB 3.24Å |
| 310 | A | 78.9 | Confident | 75.4 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79.6 | -34 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V306 P307 F308 | V306-A310 WeakPolarHBondContact O-CB 3.31Å; V306-A310 PolarHBondContact O-N 2.89Å; P307-A310 PolarHBondContact O-N 2.96Å; F308-A310 PolarHBondContact O-N 2.69Å |
| 311 | A | 82.7 | Confident | 75.1 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -91.8 | -42.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | P307 F308 C442 Y445 | P307-A311 WeakPolarHBondContact O-CB 3.32Å; P307-A311 PolarHBondContact O-N 3.36Å; F308-A311 PolarHBondContact O-N 3.32Å; A311-C442 HydrophobicContact CB-CB 3.89Å; A311-C442 WeakPolarHBondContact CB-O 3.22Å; A311-Y445 HydrophobicContact CB-CD1 4.31Å; A311-Y445 WeakPolarHBondContact O-CD1 3.36Å; A311-Y445 VanDerWaalsContact O-CE1 3.27Å; A311-Y445 WeakPolarHBondContact O-CE1 3.49Å |
| 312 | F | 81.4 | Confident | 74.6 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -105.2 | 4.2 | -165.9 | -67.4 | -86.3 | 0 | 0 | 0 | 115.4 | F308 S314 Y445 Y492 | F308-F312 HydrophobicContact CD2-CB 4.46Å; F308-F312 AromaticContact CD2-CD2 3.58Å; F308-F312 HydrophobicContact CD2-CD2 3.58Å; F308-F312 HydrophobicContact CD2-CE2 4.14Å; F308-F312 HydrophobicContact CD2-CG 4.21Å; F308-F312 HydrophobicContact CE2-CB 4.17Å; F308-F312 AromaticContact CE2-CD2 3.8Å; F308-F312 HydrophobicContact CE2-CD2 3.8Å; F308-F312 HydrophobicContact CE2-CE2 4.41Å; F308-F312 AromaticContact CE2-CG 3.99Å; F308-F312 HydrophobicContact CE2-CG 3.99Å; F308-F312 HydrophobicContact CG-CD2 4.33Å; F308-F312 HydrophobicContact CZ-CB 4.28Å; F308-F312 PolarHBondContact O-N 3.37Å; F312-S314 PolarHBondContact O-N 3.22Å; F312-Y445 AromaticContact CD1-CD1 3.71Å; F312-Y445 HydrophobicContact CD1-CD1 3.71Å; F312-Y445 HydrophobicContact CD1-CD2 4.27Å; F312-Y445 AromaticContact CD1-CE1 3.73Å; F312-Y445 HydrophobicContact CD1-CE1 3.73Å; F312-Y445 HydrophobicContact CD1-CE2 4.29Å; F312-Y445 AromaticContact CD1-CG 3.99Å; F312-Y445 HydrophobicContact CD1-CG 3.99Å; F312-Y445 HydrophobicContact CD2-CD1 4.49Å; F312-Y445 AromaticContact CE1-CD1 3.57Å; F312-Y445 HydrophobicContact CE1-CD1 3.57Å; F312-Y445 AromaticContact CE1-CD2 3.54Å; F312-Y445 HydrophobicContact CE1-CD2 3.54Å; F312-Y445 AromaticContact CE1-CE1 3.95Å; F312-Y445 HydrophobicContact CE1-CE1 3.95Å; F312-Y445 AromaticContact CE1-CE2 3.93Å; F312-Y445 HydrophobicContact CE1-CE2 3.93Å; F312-Y445 AromaticContact CE1-CG 3.34Å; F312-Y445 HydrophobicContact CE1-CG 3.34Å; F312-Y445 HydrophobicContact CE2-CD1 4.36Å; F312-Y445 HydrophobicContact CE2-CG 4.35Å; F312-Y445 HydrophobicContact CG-CD1 4.19Å; F312-Y445 HydrophobicContact CG-CE1 4.33Å; F312-Y445 AromaticContact CZ-CD1 3.9Å; F312-Y445 HydrophobicContact CZ-CD1 3.9Å; F312-Y445 HydrophobicContact CZ-CD2 4.08Å; F312-Y445 AromaticContact CZ-CG 3.55Å; F312-Y445 HydrophobicContact CZ-CG 3.55Å; F312-Y492 HydrophobicContact CD2-CD2 4.46Å; F312-Y492 AromaticContact CE2-CD2 3.7Å; F312-Y492 HydrophobicContact CE2-CD2 3.7Å; F312-Y492 AromaticContact CZ-CD2 3.74Å; F312-Y492 HydrophobicContact CZ-CD2 3.74Å; F312-Y492 HydrophobicContact CZ-CG 4.3Å |
| 313 | K | 68.4 | Low | 74.2 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | trans | -71.2 | 103.6 | -171.5 | -175.4 | 170.9 | -173.2 | 173.3 | 0 | 113.8 | N309 D319 | N309-K313 VanDerWaalsContact O-CB 3.28Å; N309-K313 WeakPolarHBondContact O-CB 3.24Å; K313-D319 WeakPolarHBondContact CE-OD2 3.21Å; K313-D319 IonicContact NZ-OD2 2.71Å; K313-D319 PolarHBondContact NZ-OD2 3.37Å | ||
| 314 | S | 56.8 | Low | 74.2 | Confident | 35 Ų | 35 | 69 Ų | 69 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | trans | -80.7 | 149.5 | 156 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | F312 T316 R488 | F312-S314 PolarHBondContact O-N 3.22Å; S314-T316 PolarHBondContact O-N 3.12Å; S314-T316 PolarHBondContact O-OG1 2.88Å; S314-T316 PolarHBondContact OG-OG1 3.2Å; S314-R488 PolarHBondContact OG-NH1 3.47Å | ||
| 315 | K | 56.9 | Low | 74 | Confident | 209 Ų | 209 | 69.4 Ų | 69.4 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | trans | -73.9 | 91.3 | 171.9 | -63.7 | -177.8 | 179.6 | -175.2 | 0 | 110.3 | ||||
| 316 | T | 55.8 | Low | 73.9 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 31% | 0.307 | 36% | 0.364 | S | S | . | . | trans | -124 | 161.2 | -174.6 | 30 | 0 | 0 | 0 | 0 | 112.2 | S314 D318 D319 R488 | S314-T316 PolarHBondContact O-N 3.12Å; S314-T316 PolarHBondContact O-OG1 2.88Å; S314-T316 PolarHBondContact OG-OG1 3.2Å; T316-D318 PolarHBondContact O-N 3.31Å; T316-D319 WeakPolarHBondContact CA-OD1 3.41Å; T316-D319 WeakPolarHBondContact CB-OD1 3.29Å; T316-D319 PolarHBondContact N-OD1 3.27Å; T316-D319 VanDerWaalsContact N-OD1 3.07Å; T316-D319 PolarHBondContact N-OD2 3.21Å; T316-D319 WeakPolarHBondContact O-CB 3.39Å; T316-D319 PolarHBondContact O-N 2.85Å; T316-D319 PolarHBondContact OG1-OD1 3.42Å; T316-R488 PolarHBondContact OG1-NH1 3.5Å | ||
| 317 | M | 50 | Low | 73.9 | Confident | 178 Ų | 178 | 68.9 Ų | 68.9 | 88% | 0.877 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.7 | 178.4 | -69.5 | -176.7 | 70.5 | 0 | 0 | 112.3 | D319 V320 | M317-D319 PolarHBondContact O-N 3.48Å; M317-D319 VanDerWaalsContact O-N 3.12Å; M317-V320 PolarHBondContact O-N 3.48Å |
| 318 | D | 61.6 | Low | 74 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31.9 | 171.6 | -41.8 | -26.4 | 0 | 0 | 0 | 112.9 | T316 V320 S321 F322 R488 | T316-D318 PolarHBondContact O-N 3.31Å; D318-V320 PolarHBondContact O-N 3.19Å; D318-V320 VanDerWaalsContact O-N 3.09Å; D318-S321 PolarHBondContact O-N 3.08Å; D318-S321 VanDerWaalsContact O-N 3.16Å; D318-F322 HydrophobicContact CB-CE2 4.36Å; D318-F322 WeakPolarHBondContact O-CD2 3.18Å; D318-R488 IonicContact OD2-CZ 3.17Å; D318-R488 IonicContact OD2-NH1 2.68Å; D318-R488 IonicContact OD2-NH2 3.68Å; D318-R488 PolarHBondContact OD2-NH2 3.07Å |
| 319 | D | 66.1 | Low | 74.1 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.4 | -31.4 | -175.3 | -64.1 | 24.2 | 0 | 0 | 0 | 112.6 | K313 T316 M317 L323 | K313-D319 WeakPolarHBondContact CE-OD2 3.21Å; K313-D319 IonicContact NZ-OD2 2.71Å; K313-D319 PolarHBondContact NZ-OD2 3.37Å; T316-D319 WeakPolarHBondContact CA-OD1 3.41Å; T316-D319 WeakPolarHBondContact CB-OD1 3.29Å; T316-D319 PolarHBondContact N-OD1 3.27Å; T316-D319 VanDerWaalsContact N-OD1 3.07Å; T316-D319 PolarHBondContact N-OD2 3.21Å; T316-D319 WeakPolarHBondContact O-CB 3.39Å; T316-D319 PolarHBondContact O-N 2.85Å; T316-D319 PolarHBondContact OG1-OD1 3.42Å; M317-D319 PolarHBondContact O-N 3.48Å; M317-D319 VanDerWaalsContact O-N 3.12Å; D319-L323 VanDerWaalsContact O-CB 3.29Å; D319-L323 WeakPolarHBondContact O-CB 3.49Å; D319-L323 PolarHBondContact O-N 2.77Å |
| 320 | V | 74.6 | Confident | 74.3 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.6 | -44.5 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 111 | M317 D318 F322 L323 V324 | M317-V320 PolarHBondContact O-N 3.48Å; D318-V320 PolarHBondContact O-N 3.19Å; D318-V320 VanDerWaalsContact O-N 3.09Å; V320-F322 PolarHBondContact O-N 2.85Å; V320-L323 PolarHBondContact O-N 2.95Å; V320-V324 WeakPolarHBondContact O-CG2 3.36Å; V320-V324 PolarHBondContact O-N 3.35Å |
| 321 | S | 77.4 | Confident | 74.8 | Confident | 82 Ų | 82 | 69.2 Ų | 69.2 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | -179.9 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | D318 V324 V325 | D318-S321 PolarHBondContact O-N 3.08Å; D318-S321 VanDerWaalsContact O-N 3.16Å; S321-V324 PolarHBondContact O-N 2.99Å; S321-V325 WeakPolarHBondContact O-CG2 3.3Å; S321-V325 PolarHBondContact O-N 2.82Å; S321-V325 VanDerWaalsContact O-N 3.16Å |
| 322 | F | 78.5 | Confident | 75.2 | Confident | 98 Ų | 98 | 70 Ų | 70 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 175.7 | -67.8 | -70.5 | 0 | 0 | 0 | 112.5 | D318 V320 V325 D326 | D318-F322 HydrophobicContact CB-CE2 4.36Å; D318-F322 WeakPolarHBondContact O-CD2 3.18Å; V320-F322 PolarHBondContact O-N 2.85Å; F322-V325 PolarHBondContact O-N 3.42Å; F322-D326 WeakPolarHBondContact O-CB 3.46Å; F322-D326 PolarHBondContact O-N 2.86Å |
| 323 | L | 76.4 | Confident | 75.5 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 174.9 | -173.2 | 153 | 0 | 0 | 0 | 112.1 | D319 V320 S327 D379 | D319-L323 VanDerWaalsContact O-CB 3.29Å; D319-L323 WeakPolarHBondContact O-CB 3.49Å; D319-L323 PolarHBondContact O-N 2.77Å; V320-L323 PolarHBondContact O-N 2.95Å; L323-S327 WeakPolarHBondContact O-CB 3.28Å; L323-S327 PolarHBondContact O-N 3.21Å; L323-S327 PolarHBondContact O-OG 3.1Å; L323-D379 HydrophobicContact CD1-CB 4.3Å; L323-D379 HydrophobicContact CG-CB 4.48Å |
| 324 | V | 83.7 | Confident | 76.5 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.5 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V320 S321 S327 I328 | V320-V324 WeakPolarHBondContact O-CG2 3.36Å; V320-V324 PolarHBondContact O-N 3.35Å; S321-V324 PolarHBondContact O-N 2.99Å; V324-S327 PolarHBondContact O-N 2.78Å; V324-I328 HydrophobicContact CG1-CD1 4Å; V324-I328 WeakPolarHBondContact O-CG1 3.37Å; V324-I328 PolarHBondContact O-N 3.22Å |
| 325 | V | 84.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | Y301 S321 F322 S327 I328 V329 | Y301-V325 HydrophobicContact CE1-CG1 4.35Å; Y301-V325 HydrophobicContact CE2-CG1 4.29Å; Y301-V325 WeakPolarHBondContact OH-CG1 3.47Å; S321-V325 WeakPolarHBondContact O-CG2 3.3Å; S321-V325 PolarHBondContact O-N 2.82Å; S321-V325 VanDerWaalsContact O-N 3.16Å; F322-V325 PolarHBondContact O-N 3.42Å; V325-S327 PolarHBondContact O-N 3.46Å; V325-I328 PolarHBondContact O-N 3.35Å; V325-I328 VanDerWaalsContact O-N 3.12Å; V325-V329 HydrophobicContact CG1-CG2 4.33Å; V325-V329 VanDerWaalsContact O-CG2 3.29Å; V325-V329 WeakPolarHBondContact O-CG2 3.23Å; V325-V329 PolarHBondContact O-N 3.15Å |
| 326 | D | 82.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.2 | -37.9 | 175.4 | -99.2 | 20.1 | 0 | 0 | 0 | 111.8 | Y301 F322 V329 D330 R404 | Y301-D326 PolarHBondContact OH-OD1 3.29Å; F322-D326 WeakPolarHBondContact O-CB 3.46Å; F322-D326 PolarHBondContact O-N 2.86Å; D326-V329 PolarHBondContact O-N 3.27Å; D326-D330 PolarHBondContact O-N 3.14Å; D326-R404 IonicContact OD2-CZ 3.74Å; D326-R404 IonicContact OD2-NH1 3.29Å; D326-R404 PolarHBondContact OD2-NH1 3.45Å; D326-R404 IonicContact OD2-NH2 3.45Å |
| 327 | S | 82.5 | Confident | 81.4 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | L323 V324 V325 V329 D330 V331 | L323-S327 WeakPolarHBondContact O-CB 3.28Å; L323-S327 PolarHBondContact O-N 3.21Å; L323-S327 PolarHBondContact O-OG 3.1Å; V324-S327 PolarHBondContact O-N 2.78Å; V325-S327 PolarHBondContact O-N 3.46Å; S327-V329 VanDerWaalsContact C-N 3.32Å; S327-D330 PolarHBondContact O-N 3.11Å; S327-V331 WeakPolarHBondContact O-CG2 3.39Å; S327-V331 PolarHBondContact O-N 2.93Å; S327-V331 VanDerWaalsContact O-N 3.08Å |
| 328 | I | 88.5 | Confident | 83.4 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 174.1 | -68.2 | 163.5 | 0 | 0 | 0 | 110.2 | V324 V325 V331 I332 | V324-I328 HydrophobicContact CG1-CD1 4Å; V324-I328 WeakPolarHBondContact O-CG1 3.37Å; V324-I328 PolarHBondContact O-N 3.22Å; V325-I328 PolarHBondContact O-N 3.35Å; V325-I328 VanDerWaalsContact O-N 3.12Å; I328-V331 PolarHBondContact O-N 3.48Å; I328-I332 HydrophobicContact CG2-CD1 4.2Å; I328-I332 WeakPolarHBondContact O-CG1 3.28Å; I328-I332 PolarHBondContact O-N 2.68Å; I328-I332 VanDerWaalsContact O-N 3.09Å |
| 329 | V | 87.6 | Confident | 84.8 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L298 Y301 T302 V325 D326 S327 V331 I332 F333 | L298-V329 HydrophobicContact CD2-CG2 4.18Å; Y301-V329 HydrophobicContact CD1-CG2 4.11Å; Y301-V329 HydrophobicContact CE1-CG2 3.98Å; T302-V329 HydrophobicContact CG2-CG1 3.71Å; V325-V329 HydrophobicContact CG1-CG2 4.33Å; V325-V329 VanDerWaalsContact O-CG2 3.29Å; V325-V329 WeakPolarHBondContact O-CG2 3.23Å; V325-V329 PolarHBondContact O-N 3.15Å; D326-V329 PolarHBondContact O-N 3.27Å; S327-V329 VanDerWaalsContact C-N 3.32Å; V329-V331 VanDerWaalsContact C-N 3.32Å; V329-V331 PolarHBondContact O-N 2.87Å; V329-I332 PolarHBondContact O-N 3.05Å; V329-I332 VanDerWaalsContact O-N 3.14Å; V329-F333 HydrophobicContact CG1-CD2 3.78Å; V329-F333 HydrophobicContact CG1-CE2 3.59Å; V329-F333 VanDerWaalsContact O-CD2 3.24Å; V329-F333 WeakPolarHBondContact O-CD2 3.4Å; V329-F333 PolarHBondContact O-N 3.45Å |
| 330 | D | 86.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 178 | -75.8 | -3.6 | 0 | 0 | 0 | 112.6 | D326 S327 F333 F334 R404 R407 | D326-D330 PolarHBondContact O-N 3.14Å; S327-D330 PolarHBondContact O-N 3.11Å; D330-F333 PolarHBondContact O-N 3.29Å; D330-F334 PolarHBondContact O-N 3.05Å; D330-R404 IonicContact OD1-CZ 3.72Å; D330-R404 IonicContact OD1-NE 2.7Å; D330-R404 PolarHBondContact OD1-NE 3Å; D330-R404 IonicContact OD1-NH2 3.98Å; D330-R404 IonicContact OD2-CZ 3.15Å; D330-R404 IonicContact OD2-NE 3.15Å; D330-R404 PolarHBondContact OD2-NE 3.46Å; D330-R404 IonicContact OD2-NH2 2.67Å; D330-R404 PolarHBondContact OD2-NH2 2.91Å; D330-R407 IonicContact OD1-CZ 2.81Å; D330-R407 VanDerWaalsContact OD1-CZ 3.3Å; D330-R407 IonicContact OD1-NH1 2.59Å; D330-R407 PolarHBondContact OD1-NH1 3.39Å; D330-R407 IonicContact OD1-NH2 3.6Å; D330-R407 PolarHBondContact OD1-NH2 3.21Å |
| 331 | V | 88.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.527 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 171.7 | 169.9 | 0 | 0 | 0 | 0 | 112 | S327 I328 V329 F333 F334 I335 | S327-V331 WeakPolarHBondContact O-CG2 3.39Å; S327-V331 PolarHBondContact O-N 2.93Å; S327-V331 VanDerWaalsContact O-N 3.08Å; I328-V331 PolarHBondContact O-N 3.48Å; V329-V331 VanDerWaalsContact C-N 3.32Å; V329-V331 PolarHBondContact O-N 2.87Å; V331-F333 VanDerWaalsContact C-N 3.34Å; V331-F333 PolarHBondContact O-N 3.16Å; V331-F334 WeakPolarHBondContact O-CB 3.28Å; V331-F334 PolarHBondContact O-N 2.7Å; V331-I335 HydrophobicContact CG1-CD1 4.15Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 2.78Å |
| 332 | I | 90.8 | Very high | 87.3 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.3 | -63.7 | 165.4 | 0 | 0 | 0 | 110.8 | W291 I295 L298 I328 V329 F334 I335 D336 | W291-I332 HydrophobicContact CH2-CG2 3.91Å; W291-I332 HydrophobicContact CZ2-CG2 4.01Å; I295-I332 HydrophobicContact CD1-CG2 3.95Å; L298-I332 HydrophobicContact CD1-CB 4.1Å; L298-I332 HydrophobicContact CD1-CD1 3.91Å; L298-I332 HydrophobicContact CD1-CG2 3.54Å; I328-I332 HydrophobicContact CG2-CD1 4.2Å; I328-I332 WeakPolarHBondContact O-CG1 3.28Å; I328-I332 PolarHBondContact O-N 2.68Å; I328-I332 VanDerWaalsContact O-N 3.09Å; V329-I332 PolarHBondContact O-N 3.05Å; V329-I332 VanDerWaalsContact O-N 3.14Å; I332-F334 VanDerWaalsContact C-N 3.32Å; I332-F334 PolarHBondContact O-N 3.07Å; I332-I335 PolarHBondContact O-N 3.2Å; I332-D336 PolarHBondContact O-N 3.49Å |
| 333 | F | 88.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -28.2 | 174.2 | -79.4 | -72.8 | 0 | 0 | 0 | 113.6 | I295 L298 T302 V329 D330 V331 I337 C375 R407 | I295-F333 HydrophobicContact CD1-CD1 4.37Å; I295-F333 HydrophobicContact CD1-CE1 4.34Å; I295-F333 HydrophobicContact CG2-CE1 3.93Å; L298-F333 HydrophobicContact CB-CE2 3.96Å; L298-F333 HydrophobicContact CB-CZ 3.98Å; T302-F333 HydrophobicContact CG2-CE2 4.48Å; V329-F333 HydrophobicContact CG1-CD2 3.78Å; V329-F333 HydrophobicContact CG1-CE2 3.59Å; V329-F333 VanDerWaalsContact O-CD2 3.24Å; V329-F333 WeakPolarHBondContact O-CD2 3.4Å; V329-F333 PolarHBondContact O-N 3.45Å; D330-F333 PolarHBondContact O-N 3.29Å; V331-F333 VanDerWaalsContact C-N 3.34Å; V331-F333 PolarHBondContact O-N 3.16Å; F333-I337 WeakPolarHBondContact O-CG1 3.43Å; F333-I337 PolarHBondContact O-N 2.91Å; F333-C375 HydrophobicContact CB-CB 4.48Å; F333-R407 HydrophobicContact CD1-CG 4.39Å; F333-R407 VanDerWaalsContact CD2-CZ 3.45Å; F333-R407 HydrophobicContact CE1-CB 4.41Å; F333-R407 HydrophobicContact CE1-CG 4.13Å; F333-R407 VanDerWaalsContact CE2-NH1 3.3Å; F333-R407 HydrophobicContact CZ-CG 4.43Å |
| 334 | F | 89.2 | Confident | 88.4 | Confident | 122 Ų | 122 | 40.4 Ų | 40.4 | 54% | 0.535 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -43.1 | 169.8 | -178.8 | -98.1 | 0 | 0 | 0 | 111.8 | D330 V331 I332 D336 I337 V338 | D330-F334 PolarHBondContact O-N 3.05Å; V331-F334 WeakPolarHBondContact O-CB 3.28Å; V331-F334 PolarHBondContact O-N 2.7Å; I332-F334 VanDerWaalsContact C-N 3.32Å; I332-F334 PolarHBondContact O-N 3.07Å; F334-D336 VanDerWaalsContact C-N 3.28Å; F334-D336 PolarHBondContact O-N 3.38Å; F334-I337 PolarHBondContact O-N 2.79Å; F334-V338 HydrophobicContact CE1-CG2 4.22Å; F334-V338 PolarHBondContact O-N 3.43Å |
| 335 | I | 92 | Very high | 88.5 | Confident | 71 Ų | 71 | 39 Ų | 39 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 174.3 | -66.7 | 164.9 | 0 | 0 | 0 | 110.9 | W291 V331 I332 I337 V338 L339 | W291-I335 HydrophobicContact CH2-CB 4.3Å; W291-I335 HydrophobicContact CH2-CG2 3.69Å; W291-I335 HydrophobicContact CZ2-CB 4.34Å; W291-I335 HydrophobicContact CZ2-CG2 3.87Å; V331-I335 HydrophobicContact CG1-CD1 4.15Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 2.78Å; I332-I335 PolarHBondContact O-N 3.2Å; I335-I337 VanDerWaalsContact C-N 3.33Å; I335-I337 PolarHBondContact O-N 3.04Å; I335-V338 PolarHBondContact O-N 3.16Å; I335-V338 VanDerWaalsContact O-N 3.15Å; I335-L339 HydrophobicContact CG2-CD1 3.93Å; I335-L339 HydrophobicContact CG2-CG 4.29Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 2.79Å |
| 336 | D | 90.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.1 | -175.7 | 68.2 | 0 | 0 | 0 | 113 | W291 I295 I332 F334 V338 L339 N340 R410 | W291-D336 HydrophobicContact CZ2-CB 4.31Å; W291-D336 PolarHBondContact NE1-OD1 3.1Å; I295-D336 HydrophobicContact CD1-CB 3.84Å; I295-D336 HydrophobicContact CG1-CB 4.46Å; I332-D336 PolarHBondContact O-N 3.49Å; F334-D336 VanDerWaalsContact C-N 3.28Å; F334-D336 PolarHBondContact O-N 3.38Å; D336-V338 PolarHBondContact O-N 2.87Å; D336-L339 PolarHBondContact O-N 3.45Å; D336-N340 WeakPolarHBondContact O-CB 3.38Å; D336-N340 PolarHBondContact O-N 3.14Å; D336-N340 PolarHBondContact O-ND2 3.07Å; D336-N340 PolarHBondContact OD2-ND2 3.22Å; D336-R410 IonicContact OD2-CZ 3.32Å; D336-R410 IonicContact OD2-NE 3.4Å; D336-R410 PolarHBondContact OD2-NE 3.18Å; D336-R410 IonicContact OD2-NH2 2.74Å; D336-R410 PolarHBondContact OD2-NH2 2.76Å |
| 337 | I | 90 | Very high | 88.2 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.3 | -65.9 | 165.8 | 0 | 0 | 0 | 110.6 | F333 F334 I335 L339 N340 F341 Y363 F368 D371 V372 C375 | F333-I337 WeakPolarHBondContact O-CG1 3.43Å; F333-I337 PolarHBondContact O-N 2.91Å; F334-I337 PolarHBondContact O-N 2.79Å; I335-I337 VanDerWaalsContact C-N 3.33Å; I335-I337 PolarHBondContact O-N 3.04Å; I337-L339 VanDerWaalsContact C-N 3.34Å; I337-L339 PolarHBondContact O-N 3.42Å; I337-N340 PolarHBondContact O-N 2.93Å; I337-F341 HydrophobicContact CG2-CD2 4.18Å; I337-F341 HydrophobicContact CG2-CE2 3.91Å; I337-F341 VanDerWaalsContact O-CD2 3.23Å; I337-F341 WeakPolarHBondContact O-CD2 3.47Å; I337-F341 PolarHBondContact O-N 2.78Å; I337-Y363 HydrophobicContact CG2-CE1 4.25Å; I337-F368 HydrophobicContact CG2-CD2 4.28Å; I337-F368 HydrophobicContact CG2-CE2 4.2Å; I337-D371 HydrophobicContact CD1-CB 4.29Å; I337-D371 HydrophobicContact CG1-CB 4.03Å; I337-V372 HydrophobicContact CD1-CG2 4.13Å; I337-C375 HydrophobicContact CD1-CB 3.89Å; I337-C375 WeakPolarHBondContact CD1-SG 3.4Å |
| 338 | V | 92.2 | Very high | 87.9 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | F334 I335 D336 H342 | F334-V338 HydrophobicContact CE1-CG2 4.22Å; F334-V338 PolarHBondContact O-N 3.43Å; I335-V338 PolarHBondContact O-N 3.16Å; I335-V338 VanDerWaalsContact O-N 3.15Å; D336-V338 PolarHBondContact O-N 2.87Å; V338-H342 PolarHBondContact O-ND1 3.29Å |
| 339 | L | 90.2 | Very high | 87.1 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | 175.3 | -70.9 | 169.5 | 0 | 0 | 0 | 112 | I281 W291 I335 D336 I337 F341 H342 T343 | I281-L339 HydrophobicContact CD1-CD2 3.65Å; W291-L339 HydrophobicContact CD2-CD1 3.78Å; W291-L339 HydrophobicContact CE3-CD1 4.28Å; W291-L339 HydrophobicContact CG-CD1 4.28Å; W291-L339 HydrophobicContact CH2-CD1 4.14Å; W291-L339 HydrophobicContact CZ2-CD1 3.61Å; W291-L339 HydrophobicContact CZ3-CD1 4.44Å; I335-L339 HydrophobicContact CG2-CD1 3.93Å; I335-L339 HydrophobicContact CG2-CG 4.29Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 2.79Å; D336-L339 PolarHBondContact O-N 3.45Å; I337-L339 VanDerWaalsContact C-N 3.34Å; I337-L339 PolarHBondContact O-N 3.42Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.92Å; L339-H342 CarbonylContact O-C 3.59Å; L339-H342 WeakPolarHBondContact O-CA 3.35Å; L339-H342 PolarHBondContact O-N 3.02Å; L339-T343 VanDerWaalsContact O-CG2 3.27Å; L339-T343 WeakPolarHBondContact O-CG2 3.42Å; L339-T343 PolarHBondContact O-N 3.27Å |
| 340 | N | 88.7 | Confident | 86 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -31.8 | 178.6 | -71.7 | -37.7 | 0 | 0 | 0 | 112.6 | D336 I337 H342 T343 Y363 | D336-N340 WeakPolarHBondContact O-CB 3.38Å; D336-N340 PolarHBondContact O-N 3.14Å; D336-N340 PolarHBondContact O-ND2 3.07Å; D336-N340 PolarHBondContact OD2-ND2 3.22Å; I337-N340 PolarHBondContact O-N 2.93Å; N340-H342 PolarHBondContact O-N 3.28Å; N340-T343 WeakPolarHBondContact CA-OG1 3.45Å; N340-T343 PolarHBondContact O-N 3.41Å; N340-T343 PolarHBondContact O-OG1 3.34Å; N340-T343 VanDerWaalsContact O-OG1 3.14Å; N340-Y363 HydrophobicContact CB-CD1 4.36Å; N340-Y363 HydrophobicContact CB-CD2 4.48Å; N340-Y363 HydrophobicContact CB-CE1 3.8Å; N340-Y363 HydrophobicContact CB-CE2 3.97Å |
| 341 | F | 91.2 | Very high | 85.4 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.4 | 170 | -83.2 | -59.2 | 0 | 0 | 0 | 115.2 | I337 L339 R360 Y363 L364 F368 | I337-F341 HydrophobicContact CG2-CD2 4.18Å; I337-F341 HydrophobicContact CG2-CE2 3.91Å; I337-F341 VanDerWaalsContact O-CD2 3.23Å; I337-F341 WeakPolarHBondContact O-CD2 3.47Å; I337-F341 PolarHBondContact O-N 2.78Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.92Å; F341-R360 HydrophobicContact CD1-CB 4.22Å; F341-R360 HydrophobicContact CD1-CG 3.83Å; F341-Y363 AromaticContact CD1-CD1 3.69Å; F341-Y363 HydrophobicContact CD1-CD1 3.69Å; F341-Y363 HydrophobicContact CD1-CE1 4.4Å; F341-Y363 HydrophobicContact CD2-CD1 4.31Å; F341-Y363 HydrophobicContact CD2-CE1 4.22Å; F341-Y363 AromaticContact CE1-CD1 3.71Å; F341-Y363 HydrophobicContact CE1-CD1 3.71Å; F341-Y363 HydrophobicContact CE1-CE1 4.4Å; F341-Y363 HydrophobicContact CE2-CD1 4.3Å; F341-Y363 HydrophobicContact CE2-CE1 4.18Å; F341-Y363 HydrophobicContact CG-CD1 4.03Å; F341-Y363 HydrophobicContact CG-CE1 4.34Å; F341-Y363 HydrophobicContact CZ-CD1 4.02Å; F341-Y363 HydrophobicContact CZ-CE1 4.29Å; F341-L364 HydrophobicContact CE1-CD2 3.93Å; F341-L364 HydrophobicContact CE1-CG 3.98Å; F341-L364 HydrophobicContact CZ-CD2 3.87Å; F341-L364 HydrophobicContact CZ-CG 4.43Å; F341-F368 HydrophobicContact CE1-CD2 4.43Å; F341-F368 AromaticContact CE2-CD2 3.81Å; F341-F368 HydrophobicContact CE2-CD2 3.81Å; F341-F368 AromaticContact CE2-CE2 3.57Å; F341-F368 HydrophobicContact CE2-CE2 3.57Å; F341-F368 AromaticContact CZ-CD2 3.47Å; F341-F368 HydrophobicContact CZ-CD2 3.47Å; F341-F368 VanDerWaalsContact CZ-CD2 3.47Å; F341-F368 AromaticContact CZ-CE2 3.41Å; F341-F368 HydrophobicContact CZ-CE2 3.41Å; F341-F368 VanDerWaalsContact CZ-CE2 3.41Å; F341-F368 HydrophobicContact CZ-CG 4.31Å; F341-F368 HydrophobicContact CZ-CZ 4.2Å |
| 342 | H | 91 | Very high | 84.9 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -0.7 | -178.1 | -68.1 | 95.8 | 0 | 0 | 0 | 113.1 | H279 I280 I281 V338 L339 N340 R360 | H279-H342 WeakPolarHBondContact O-CB 3.24Å; H279-H342 PolarHBondContact O-CD2 3.42Å; H279-H342 VanDerWaalsContact O-CD2 3.25Å; I280-H342 CarbonylContact C-O 3.48Å; I280-H342 WeakPolarHBondContact CA-O 3.04Å; I281-H342 PolarHBondContact N-O 3.3Å; V338-H342 PolarHBondContact O-ND1 3.29Å; L339-H342 CarbonylContact O-C 3.59Å; L339-H342 WeakPolarHBondContact O-CA 3.35Å; L339-H342 PolarHBondContact O-N 3.02Å; N340-H342 PolarHBondContact O-N 3.28Å; H342-R360 PolarHBondContact NE2-NH2 2.78Å |
| 343 | T | 89.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 135.7 | 179.2 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | I281 K288 L339 N340 I359 | I281-T343 HydrophobicContact CB-CG2 4.08Å; I281-T343 HydrophobicContact CG2-CG2 4.29Å; I281-T343 CarbonylContact O-C 3.56Å; I281-T343 VanDerWaalsContact O-CA 3.25Å; I281-T343 WeakPolarHBondContact O-CA 3.33Å; K288-T343 HydrophobicContact CD-CG2 3.88Å; K288-T343 HydrophobicContact CG-CG2 4.41Å; L339-T343 VanDerWaalsContact O-CG2 3.27Å; L339-T343 WeakPolarHBondContact O-CG2 3.42Å; L339-T343 PolarHBondContact O-N 3.27Å; N340-T343 WeakPolarHBondContact CA-OG1 3.45Å; N340-T343 PolarHBondContact O-N 3.41Å; N340-T343 PolarHBondContact O-OG1 3.34Å; N340-T343 VanDerWaalsContact O-OG1 3.14Å; T343-I359 VanDerWaalsContact O-CG2 3.24Å; T343-I359 WeakPolarHBondContact O-CG2 3.45Å |
| 344 | T | 89.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | trans | -63.4 | 158.1 | 172.8 | 66.3 | 0 | 0 | 0 | 0 | 112 | T276 I280 I281 L282 H283 V352 I353 I359 | T276-T344 HydrophobicContact CG2-CG2 4.29Å; I280-T344 HydrophobicContact CG2-CG2 3.47Å; I280-T344 VanDerWaalsContact CG2-CG2 3.47Å; I281-T344 PolarHBondContact O-N 3.38Å; L282-T344 WeakPolarHBondContact CA-OG1 3.14Å; L282-T344 HydrophobicContact CG-CG2 4.4Å; H283-T344 WeakPolarHBondContact CB-O 3.28Å; H283-T344 PolarHBondContact N-OG1 3.36Å; H283-T344 PolarHBondContact ND1-OG1 3.47Å; T344-V352 HydrophobicContact CG2-CG1 4.39Å; T344-I353 VanDerWaalsContact CB-O 3.28Å; T344-I353 WeakPolarHBondContact CB-O 3.15Å; T344-I359 HydrophobicContact CG2-CD1 4.42Å | ||
| 345 | F | 86 | Confident | 83.9 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 161 | 170 | 73.6 | -80.7 | 0 | 0 | 0 | 111.3 | I353 I358 I359 N362 | F345-I353 HydrophobicContact CD1-CB 4.32Å; F345-I353 HydrophobicContact CD1-CG2 4.5Å; F345-I353 HydrophobicContact CD2-CD1 4.5Å; F345-I353 HydrophobicContact CE1-CB 3.99Å; F345-I353 HydrophobicContact CE1-CD1 4.17Å; F345-I353 HydrophobicContact CE1-CG2 3.83Å; F345-I353 HydrophobicContact CE2-CD1 3.7Å; F345-I353 HydrophobicContact CZ-CB 4.22Å; F345-I353 HydrophobicContact CZ-CD1 3.5Å; F345-I353 HydrophobicContact CZ-CG1 4.44Å; F345-I353 HydrophobicContact CZ-CG2 4.22Å; F345-I353 PolarHBondContact O-N 2.78Å; F345-I358 HydrophobicContact CE1-CG2 4.34Å; F345-I358 HydrophobicContact CZ-CG2 4.23Å; F345-I359 HydrophobicContact CD1-CG1 4Å; F345-I359 HydrophobicContact CE1-CG1 4.16Å; F345-N362 HydrophobicContact CE1-CB 3.85Å; F345-N362 HydrophobicContact CE2-CB 4.46Å; F345-N362 HydrophobicContact CZ-CB 3.77Å |
| 346 | V | 83 | Confident | 83.6 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 26% | 0.255 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.9 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | H283 | H283-V346 VanDerWaalsContact CE1-CG2 3.47Å; H283-V346 WeakPolarHBondContact CE1-CG2 3.49Å; H283-V346 WeakPolarHBondContact NE2-CG2 3.12Å |
| 347 | G | 77.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -71 | 169.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N349 G350 E351 | G347-N349 PolarHBondContact O-N 2.76Å; G347-N349 VanDerWaalsContact O-N 3.1Å; G347-G350 PolarHBondContact O-N 3.31Å; G347-E351 PolarHBondContact N-O 3.48Å | ||
| 348 | P | 76.2 | Confident | 83.4 | Confident | 107 Ų | 107 | 49.3 Ų | 49.3 | 70% | 0.695 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.9 | 178.6 | 25.4 | -34.8 | 0 | 0 | 0 | 113.3 | G350 | P348-G350 VanDerWaalsContact C-N 3.3Å; P348-G350 PolarHBondContact O-N 3.38Å |
| 349 | N | 70.9 | Confident | 83.3 | Confident | 120 Ų | 120 | 46.3 Ų | 46.3 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -4.1 | 176.7 | -58.5 | -9.8 | 0 | 0 | 0 | 114.1 | G347 E351 | G347-N349 PolarHBondContact O-N 2.76Å; G347-N349 VanDerWaalsContact O-N 3.1Å; N349-E351 VanDerWaalsContact C-N 3.25Å; N349-E351 HydrophobicContact CB-CG 4.03Å; N349-E351 WeakPolarHBondContact CB-OE2 3.38Å; N349-E351 PolarHBondContact ND2-OE2 3.24Å; N349-E351 PolarHBondContact O-N 3.15Å |
| 350 | G | 64.3 | Low | 83.4 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 79.6 | 0.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G7 L8 G347 P348 | G7-G350 CarbonylContact C-O 3.57Å; G7-G350 WeakPolarHBondContact CA-O 3.38Å; L8-G350 PolarHBondContact N-O 3.23Å; G347-G350 PolarHBondContact O-N 3.31Å; P348-G350 VanDerWaalsContact C-N 3.3Å; P348-G350 PolarHBondContact O-N 3.38Å |
| 351 | E | 73.4 | Confident | 83.5 | Confident | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 138.8 | 175.8 | -63.1 | 172.9 | 123.8 | 0 | 0 | 110.9 | G347 N349 | G347-E351 PolarHBondContact N-O 3.48Å; N349-E351 VanDerWaalsContact C-N 3.25Å; N349-E351 HydrophobicContact CB-CG 4.03Å; N349-E351 WeakPolarHBondContact CB-OE2 3.38Å; N349-E351 PolarHBondContact ND2-OE2 3.24Å; N349-E351 PolarHBondContact O-N 3.15Å |
| 352 | V | 79.2 | Confident | 83.3 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.4 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | V9 T344 | V9-V352 HydrophobicContact CG2-CG2 4Å; T344-V352 HydrophobicContact CG2-CG1 4.39Å |
| 353 | I | 81.2 | Confident | 83.3 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.1 | -177.8 | -66.1 | 167.7 | 0 | 0 | 0 | 109.4 | T344 F345 I358 | T344-I353 VanDerWaalsContact CB-O 3.28Å; T344-I353 WeakPolarHBondContact CB-O 3.15Å; F345-I353 HydrophobicContact CD1-CB 4.32Å; F345-I353 HydrophobicContact CD1-CG2 4.5Å; F345-I353 HydrophobicContact CD2-CD1 4.5Å; F345-I353 HydrophobicContact CE1-CB 3.99Å; F345-I353 HydrophobicContact CE1-CD1 4.17Å; F345-I353 HydrophobicContact CE1-CG2 3.83Å; F345-I353 HydrophobicContact CE2-CD1 3.7Å; F345-I353 HydrophobicContact CZ-CB 4.22Å; F345-I353 HydrophobicContact CZ-CD1 3.5Å; F345-I353 HydrophobicContact CZ-CG1 4.44Å; F345-I353 HydrophobicContact CZ-CG2 4.22Å; F345-I353 PolarHBondContact O-N 2.78Å; I353-I358 HydrophobicContact CG2-CB 4.02Å; I353-I358 HydrophobicContact CG2-CG2 3.86Å |
| 354 | S | 81.1 | Confident | 83.3 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | trans | -113.9 | 8.4 | -176.1 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | I280 | I280-S354 WeakPolarHBondContact CD1-O 3.32Š| ||
| 355 | D | 84 | Confident | 83.3 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | trans | -84.4 | 119.2 | 175.2 | -174.3 | -31.4 | 0 | 0 | 0 | 110.3 | T357 I358 I359 | D355-T357 VanDerWaalsContact CG-OG1 3.31Å; D355-T357 PolarHBondContact O-N 3.48Å; D355-T357 WeakPolarHBondContact OD1-CB 3.29Å; D355-T357 PolarHBondContact OD1-N 2.87Å; D355-T357 PolarHBondContact OD1-OG1 2.99Å; D355-T357 PolarHBondContact OD2-OG1 3.18Å; D355-I358 HydrophobicContact CB-CB 4.17Å; D355-I358 HydrophobicContact CB-CD1 3.9Å; D355-I358 HydrophobicContact CB-CG1 3.92Å; D355-I358 PolarHBondContact O-N 2.85Å; D355-I359 WeakPolarHBondContact O-CB 3.43Å; D355-I359 WeakPolarHBondContact O-CD1 3.35Å; D355-I359 VanDerWaalsContact O-CG1 3.27Å; D355-I359 WeakPolarHBondContact O-CG1 3.32Å; D355-I359 PolarHBondContact O-N 2.96Å | ||
| 356 | A | 86.6 | Confident | 83.1 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.1 | -37.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I280 R360 | I280-A356 HydrophobicContact CD1-CB 4.04Å; A356-R360 VanDerWaalsContact O-CB 3.3Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 VanDerWaalsContact O-CD 3.23Å; A356-R360 WeakPolarHBondContact O-CD 3.17Å; A356-R360 WeakPolarHBondContact O-CG 3.47Å; A356-R360 PolarHBondContact O-N 2.98Å |
| 357 | T | 88 | Confident | 83.1 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | -179 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | D355 R360 I361 | D355-T357 VanDerWaalsContact CG-OG1 3.31Å; D355-T357 PolarHBondContact O-N 3.48Å; D355-T357 WeakPolarHBondContact OD1-CB 3.29Å; D355-T357 PolarHBondContact OD1-N 2.87Å; D355-T357 PolarHBondContact OD1-OG1 2.99Å; D355-T357 PolarHBondContact OD2-OG1 3.18Å; T357-R360 PolarHBondContact O-N 3Å; T357-I361 WeakPolarHBondContact O-CB 3.38Å; T357-I361 WeakPolarHBondContact O-CD1 3.46Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.27Å; T357-I361 PolarHBondContact O-N 3.13Å |
| 358 | I | 88.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 35% | 0.354 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 179.7 | -54.4 | 179.5 | 0 | 0 | 0 | 110.6 | F345 I353 D355 N362 | F345-I358 HydrophobicContact CE1-CG2 4.34Å; F345-I358 HydrophobicContact CZ-CG2 4.23Å; I353-I358 HydrophobicContact CG2-CB 4.02Å; I353-I358 HydrophobicContact CG2-CG2 3.86Å; D355-I358 HydrophobicContact CB-CB 4.17Å; D355-I358 HydrophobicContact CB-CD1 3.9Å; D355-I358 HydrophobicContact CB-CG1 3.92Å; D355-I358 PolarHBondContact O-N 2.85Å; I358-N362 WeakPolarHBondContact O-CB 3.18Å; I358-N362 PolarHBondContact O-N 3.29Å |
| 359 | I | 89 | Confident | 84 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.8 | -52.3 | 172.8 | -70.7 | 162 | 0 | 0 | 0 | 110.5 | I280 T343 T344 F345 D355 N362 Y363 | I280-I359 HydrophobicContact CD1-CD1 4.04Å; I280-I359 HydrophobicContact CG2-CD1 4.37Å; T343-I359 VanDerWaalsContact O-CG2 3.24Å; T343-I359 WeakPolarHBondContact O-CG2 3.45Å; T344-I359 HydrophobicContact CG2-CD1 4.42Å; F345-I359 HydrophobicContact CD1-CG1 4Å; F345-I359 HydrophobicContact CE1-CG1 4.16Å; D355-I359 WeakPolarHBondContact O-CB 3.43Å; D355-I359 WeakPolarHBondContact O-CD1 3.35Å; D355-I359 VanDerWaalsContact O-CG1 3.27Å; D355-I359 WeakPolarHBondContact O-CG1 3.32Å; D355-I359 PolarHBondContact O-N 2.96Å; I359-N362 PolarHBondContact O-N 3.25Å; I359-Y363 PolarHBondContact O-N 3.32Å |
| 360 | R | 92.7 | Very high | 84.5 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | -177.9 | -70.4 | 164.2 | -178.2 | -173.8 | -2.3 | 111.6 | F341 H342 A356 T357 N362 Y363 L364 | F341-R360 HydrophobicContact CD1-CB 4.22Å; F341-R360 HydrophobicContact CD1-CG 3.83Å; H342-R360 PolarHBondContact NE2-NH2 2.78Å; A356-R360 VanDerWaalsContact O-CB 3.3Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 VanDerWaalsContact O-CD 3.23Å; A356-R360 WeakPolarHBondContact O-CD 3.17Å; A356-R360 WeakPolarHBondContact O-CG 3.47Å; A356-R360 PolarHBondContact O-N 2.98Å; T357-R360 PolarHBondContact O-N 3Å; R360-N362 VanDerWaalsContact C-N 3.34Å; R360-N362 PolarHBondContact O-N 3.35Å; R360-Y363 PolarHBondContact O-N 2.91Å; R360-L364 WeakPolarHBondContact O-CB 3.4Å; R360-L364 WeakPolarHBondContact O-CG 3.49Å; R360-L364 PolarHBondContact O-N 3.3Å |
| 361 | I | 90.3 | Very high | 85.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 54% | 0.538 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.9 | -68.5 | 165.8 | 0 | 0 | 0 | 111.5 | T357 K365 | T357-I361 WeakPolarHBondContact O-CB 3.38Å; T357-I361 WeakPolarHBondContact O-CD1 3.46Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.27Å; T357-I361 PolarHBondContact O-N 3.13Å; I361-K365 WeakPolarHBondContact O-CB 3.36Å; I361-K365 PolarHBondContact O-N 3.11Å |
| 362 | N | 88.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.3 | -175.2 | 69 | 0 | 0 | 0 | 112.2 | F345 I358 I359 R360 G366 | F345-N362 HydrophobicContact CE1-CB 3.85Å; F345-N362 HydrophobicContact CE2-CB 4.46Å; F345-N362 HydrophobicContact CZ-CB 3.77Å; I358-N362 WeakPolarHBondContact O-CB 3.18Å; I358-N362 PolarHBondContact O-N 3.29Å; I359-N362 PolarHBondContact O-N 3.25Å; R360-N362 VanDerWaalsContact C-N 3.34Å; R360-N362 PolarHBondContact O-N 3.35Å; N362-G366 PolarHBondContact O-N 2.94Å |
| 363 | Y | 89.9 | Confident | 86.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 176.7 | -175 | -130.3 | 0 | 0 | 0 | 112.2 | I337 N340 F341 I359 R360 K365 G366 W367 F368 D371 | I337-Y363 HydrophobicContact CG2-CE1 4.25Å; N340-Y363 HydrophobicContact CB-CD1 4.36Å; N340-Y363 HydrophobicContact CB-CD2 4.48Å; N340-Y363 HydrophobicContact CB-CE1 3.8Å; N340-Y363 HydrophobicContact CB-CE2 3.97Å; F341-Y363 AromaticContact CD1-CD1 3.69Å; F341-Y363 HydrophobicContact CD1-CD1 3.69Å; F341-Y363 HydrophobicContact CD1-CE1 4.4Å; F341-Y363 HydrophobicContact CD2-CD1 4.31Å; F341-Y363 HydrophobicContact CD2-CE1 4.22Å; F341-Y363 AromaticContact CE1-CD1 3.71Å; F341-Y363 HydrophobicContact CE1-CD1 3.71Å; F341-Y363 HydrophobicContact CE1-CE1 4.4Å; F341-Y363 HydrophobicContact CE2-CD1 4.3Å; F341-Y363 HydrophobicContact CE2-CE1 4.18Å; F341-Y363 HydrophobicContact CG-CD1 4.03Å; F341-Y363 HydrophobicContact CG-CE1 4.34Å; F341-Y363 HydrophobicContact CZ-CD1 4.02Å; F341-Y363 HydrophobicContact CZ-CE1 4.29Å; I359-Y363 PolarHBondContact O-N 3.32Å; R360-Y363 PolarHBondContact O-N 2.91Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.43Å; Y363-G366 CarbonylContact O-C 3.57Å; Y363-G366 PolarHBondContact O-N 2.84Å; Y363-W367 HydrophobicContact CD2-CB 4.3Å; Y363-W367 HydrophobicContact CE2-CB 4.02Å; Y363-W367 PolarHBondContact O-N 3.03Å; Y363-F368 HydrophobicContact CD1-CB 4.19Å; Y363-F368 HydrophobicContact CD1-CD2 4.33Å; Y363-F368 HydrophobicContact CE1-CB 4.22Å; Y363-F368 AromaticContact CE1-CD2 3.97Å; Y363-F368 HydrophobicContact CE1-CD2 3.97Å; Y363-F368 HydrophobicContact CG-CB 4.4Å; Y363-F368 VanDerWaalsContact O-CB 3.27Å; Y363-F368 WeakPolarHBondContact O-CB 3.27Å; Y363-F368 PolarHBondContact O-N 3.38Å; Y363-F368 VanDerWaalsContact O-N 3.12Å; Y363-D371 WeakPolarHBondContact CE2-OD2 3.3Å; Y363-D371 WeakPolarHBondContact OH-CB 3.45Å; Y363-D371 PolarHBondContact OH-OD2 3.44Å |
| 364 | L | 91 | Very high | 86.1 | Confident | 77 Ų | 77 | 62 Ų | 62 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 175.6 | -73.9 | 171.7 | 0 | 0 | 0 | 112.8 | F341 R360 G366 F368 | F341-L364 HydrophobicContact CE1-CD2 3.93Å; F341-L364 HydrophobicContact CE1-CG 3.98Å; F341-L364 HydrophobicContact CZ-CD2 3.87Å; F341-L364 HydrophobicContact CZ-CG 4.43Å; R360-L364 WeakPolarHBondContact O-CB 3.4Å; R360-L364 WeakPolarHBondContact O-CG 3.49Å; R360-L364 PolarHBondContact O-N 3.3Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.47Å; L364-F368 HydrophobicContact CD2-CB 4.41Å; L364-F368 HydrophobicContact CD2-CD1 3.51Å; L364-F368 HydrophobicContact CD2-CD2 4.24Å; L364-F368 HydrophobicContact CD2-CE1 3.67Å; L364-F368 HydrophobicContact CD2-CE2 4.38Å; L364-F368 HydrophobicContact CD2-CG 3.8Å; L364-F368 HydrophobicContact CD2-CZ 4.11Å |
| 365 | K | 88.6 | Confident | 86.1 | Confident | 192 Ų | 192 | 60.2 Ų | 60.2 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.4 | -22.1 | -178.6 | -176 | 172.1 | 178.6 | 179.7 | 0 | 113.5 | I361 Y363 | I361-K365 WeakPolarHBondContact O-CB 3.36Å; I361-K365 PolarHBondContact O-N 3.11Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.43Å |
| 366 | G | 82.3 | Confident | 85.8 | Confident | 42 Ų | 42 | 60 Ų | 60 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -101.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N362 Y363 L364 F368 | N362-G366 PolarHBondContact O-N 2.94Å; Y363-G366 CarbonylContact O-C 3.57Å; Y363-G366 PolarHBondContact O-N 2.84Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.47Å; G366-F368 PolarHBondContact O-N 2.88Å |
| 367 | W | 82.6 | Confident | 85.3 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 28% | 0.284 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.5 | -163.9 | -71.6 | 106.5 | 0 | 0 | 0 | 115.8 | Y363 I369 V370 D371 G409 R413 P1413 | Y363-W367 HydrophobicContact CD2-CB 4.3Å; Y363-W367 HydrophobicContact CE2-CB 4.02Å; Y363-W367 PolarHBondContact O-N 3.03Å; W367-I369 VanDerWaalsContact C-N 3.29Å; W367-I369 PolarHBondContact O-N 3.23Å; W367-V370 HydrophobicContact CE3-CB 4.3Å; W367-V370 HydrophobicContact CE3-CG2 4.31Å; W367-V370 WeakPolarHBondContact O-CB 3.42Å; W367-V370 PolarHBondContact O-N 3.41Å; W367-D371 PolarHBondContact O-N 2.84Å; W367-G409 WeakPolarHBondContact CH2-O 3.38Å; W367-G409 WeakPolarHBondContact CZ3-O 3.39Å; W367-R413 VanDerWaalsContact CD2-CZ 3.49Å; W367-R413 VanDerWaalsContact CD2-NE 3.33Å; W367-R413 VanDerWaalsContact CG-CZ 3.5Å; W367-R413 HydrophobicContact CZ2-CG 4.01Å; W367-P1413 HydrophobicContact CH2-CG 3.85Å; W367-P1413 HydrophobicContact CZ2-CG 3.57Å |
| 368 | F | 87.5 | Confident | 84.6 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.7 | -43.8 | -175.3 | 171.1 | -106.7 | 0 | 0 | 0 | 113.7 | I337 F341 Y363 L364 G366 V370 D371 V372 | I337-F368 HydrophobicContact CG2-CD2 4.28Å; I337-F368 HydrophobicContact CG2-CE2 4.2Å; F341-F368 HydrophobicContact CE1-CD2 4.43Å; F341-F368 AromaticContact CE2-CD2 3.81Å; F341-F368 HydrophobicContact CE2-CD2 3.81Å; F341-F368 AromaticContact CE2-CE2 3.57Å; F341-F368 HydrophobicContact CE2-CE2 3.57Å; F341-F368 AromaticContact CZ-CD2 3.47Å; F341-F368 HydrophobicContact CZ-CD2 3.47Å; F341-F368 VanDerWaalsContact CZ-CD2 3.47Å; F341-F368 AromaticContact CZ-CE2 3.41Å; F341-F368 HydrophobicContact CZ-CE2 3.41Å; F341-F368 VanDerWaalsContact CZ-CE2 3.41Å; F341-F368 HydrophobicContact CZ-CG 4.31Å; F341-F368 HydrophobicContact CZ-CZ 4.2Å; Y363-F368 HydrophobicContact CD1-CB 4.19Å; Y363-F368 HydrophobicContact CD1-CD2 4.33Å; Y363-F368 HydrophobicContact CE1-CB 4.22Å; Y363-F368 AromaticContact CE1-CD2 3.97Å; Y363-F368 HydrophobicContact CE1-CD2 3.97Å; Y363-F368 HydrophobicContact CG-CB 4.4Å; Y363-F368 VanDerWaalsContact O-CB 3.27Å; Y363-F368 WeakPolarHBondContact O-CB 3.27Å; Y363-F368 PolarHBondContact O-N 3.38Å; Y363-F368 VanDerWaalsContact O-N 3.12Å; L364-F368 HydrophobicContact CD2-CB 4.41Å; L364-F368 HydrophobicContact CD2-CD1 3.51Å; L364-F368 HydrophobicContact CD2-CD2 4.24Å; L364-F368 HydrophobicContact CD2-CE1 3.67Å; L364-F368 HydrophobicContact CD2-CE2 4.38Å; L364-F368 HydrophobicContact CD2-CG 3.8Å; L364-F368 HydrophobicContact CD2-CZ 4.11Å; G366-F368 PolarHBondContact O-N 2.88Å; F368-V370 VanDerWaalsContact C-N 3.33Å; F368-V370 PolarHBondContact O-N 3.2Å; F368-D371 PolarHBondContact O-N 3.15Å; F368-V372 HydrophobicContact CD1-CG2 4.49Å; F368-V372 HydrophobicContact CD2-CG2 3.73Å; F368-V372 HydrophobicContact CE1-CG2 4.17Å; F368-V372 HydrophobicContact CE2-CG2 3.32Å; F368-V372 HydrophobicContact CG-CG2 4.31Å; F368-V372 HydrophobicContact CZ-CG2 3.59Å; F368-V372 WeakPolarHBondContact O-CB 3.25Å; F368-V372 WeakPolarHBondContact O-CG2 3.32Å; F368-V372 PolarHBondContact O-N 3Å |
| 369 | I | 85 | Confident | 83.5 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 54% | 0.538 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | -179 | -58.9 | 174.5 | 0 | 0 | 0 | 110.9 | W367 L373 | W367-I369 VanDerWaalsContact C-N 3.29Å; W367-I369 PolarHBondContact O-N 3.23Å; I369-L373 HydrophobicContact CG2-CD1 4.01Å; I369-L373 WeakPolarHBondContact O-CB 3.26Å; I369-L373 VanDerWaalsContact O-CG 3.29Å; I369-L373 WeakPolarHBondContact O-CG 3.41Å; I369-L373 PolarHBondContact O-N 3.44Å |
| 370 | V | 81.7 | Confident | 82.6 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | W367 F368 S374 L406 | W367-V370 HydrophobicContact CE3-CB 4.3Å; W367-V370 HydrophobicContact CE3-CG2 4.31Å; W367-V370 WeakPolarHBondContact O-CB 3.42Å; W367-V370 PolarHBondContact O-N 3.41Å; F368-V370 VanDerWaalsContact C-N 3.33Å; F368-V370 PolarHBondContact O-N 3.2Å; V370-S374 WeakPolarHBondContact O-CB 3.44Å; V370-S374 PolarHBondContact O-N 3.48Å; V370-L406 HydrophobicContact CG1-CB 3.87Å; V370-L406 HydrophobicContact CG1-CD1 4.35Å |
| 371 | D | 85.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | -178.3 | -69 | -24.8 | 0 | 0 | 0 | 111.4 | I337 Y363 W367 F368 S374 C375 R410 R413 | I337-D371 HydrophobicContact CD1-CB 4.29Å; I337-D371 HydrophobicContact CG1-CB 4.03Å; Y363-D371 WeakPolarHBondContact CE2-OD2 3.3Å; Y363-D371 WeakPolarHBondContact OH-CB 3.45Å; Y363-D371 PolarHBondContact OH-OD2 3.44Å; W367-D371 PolarHBondContact O-N 2.84Å; F368-D371 PolarHBondContact O-N 3.15Å; D371-S374 PolarHBondContact O-N 2.91Å; D371-S374 PolarHBondContact O-OG 2.95Å; D371-C375 PolarHBondContact O-N 3.41Å; D371-R410 IonicContact OD1-CZ 3.61Å; D371-R410 IonicContact OD1-NE 2.74Å; D371-R410 IonicContact OD1-NH1 2.75Å; D371-R410 PolarHBondContact OD1-NH1 3.13Å; D371-R410 IonicContact OD1-NH2 3.58Å; D371-R413 IonicContact OD1-CZ 2.9Å; D371-R413 IonicContact OD1-NH1 2.75Å; D371-R413 IonicContact OD1-NH2 3.9Å; D371-R413 PolarHBondContact OD1-NH2 3.39Å; D371-R413 IonicContact OD2-CZ 2.65Å; D371-R413 IonicContact OD2-NH1 3.41Å; D371-R413 PolarHBondContact OD2-NH1 3.16Å; D371-R413 IonicContact OD2-NH2 3.97Å; D371-R413 PolarHBondContact OD2-NH2 2.93Å |
| 372 | V | 85.2 | Confident | 80.4 | Confident | 45 Ų | 45 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.8 | -49.5 | 175.8 | 168 | 0 | 0 | 0 | 0 | 112.7 | I337 F368 S374 C375 | I337-V372 HydrophobicContact CD1-CG2 4.13Å; F368-V372 HydrophobicContact CD1-CG2 4.49Å; F368-V372 HydrophobicContact CD2-CG2 3.73Å; F368-V372 HydrophobicContact CE1-CG2 4.17Å; F368-V372 HydrophobicContact CE2-CG2 3.32Å; F368-V372 HydrophobicContact CG-CG2 4.31Å; F368-V372 HydrophobicContact CZ-CG2 3.59Å; F368-V372 WeakPolarHBondContact O-CB 3.25Å; F368-V372 WeakPolarHBondContact O-CG2 3.32Å; F368-V372 PolarHBondContact O-N 3Å; V372-S374 PolarHBondContact O-N 2.87Å; V372-C375 PolarHBondContact O-N 3.27Å; V372-C375 PolarHBondContact O-SG 3.38Å |
| 373 | L | 81.5 | Confident | 79.5 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.2 | -34.1 | 175.9 | -75.1 | 172.5 | 0 | 0 | 0 | 110.9 | I369 C375 V403 | I369-L373 HydrophobicContact CG2-CD1 4.01Å; I369-L373 WeakPolarHBondContact O-CB 3.26Å; I369-L373 VanDerWaalsContact O-CG 3.29Å; I369-L373 WeakPolarHBondContact O-CG 3.41Å; I369-L373 PolarHBondContact O-N 3.44Å; L373-C375 VanDerWaalsContact C-N 3.34Å; L373-C375 PolarHBondContact O-N 3.39Å; L373-V403 HydrophobicContact CB-CG1 4.01Å; L373-V403 WeakPolarHBondContact O-CG1 3.49Å |
| 374 | S | 79.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.1 | -21 | 176.7 | 87.6 | 0 | 0 | 0 | 0 | 114.6 | V370 D371 V372 R407 | V370-S374 WeakPolarHBondContact O-CB 3.44Å; V370-S374 PolarHBondContact O-N 3.48Å; D371-S374 PolarHBondContact O-N 2.91Å; D371-S374 PolarHBondContact O-OG 2.95Å; V372-S374 PolarHBondContact O-N 2.87Å; S374-R407 VanDerWaalsContact O-CZ 3.27Å; S374-R407 PolarHBondContact O-NE 2.93Å; S374-R407 VanDerWaalsContact O-NE 3.14Å; S374-R407 PolarHBondContact O-NH2 3.13Å; S374-R407 WeakPolarHBondContact OG-CG 3.44Å |
| 375 | C | 80.5 | Confident | 77.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.095 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7.5 | -170.8 | 84.2 | 0 | 0 | 0 | 0 | 115.2 | F333 I337 D371 V372 L373 | F333-C375 HydrophobicContact CB-CB 4.48Å; I337-C375 HydrophobicContact CD1-CB 3.89Å; I337-C375 WeakPolarHBondContact CD1-SG 3.4Å; D371-C375 PolarHBondContact O-N 3.41Å; V372-C375 PolarHBondContact O-N 3.27Å; V372-C375 PolarHBondContact O-SG 3.38Å; L373-C375 VanDerWaalsContact C-N 3.34Å; L373-C375 PolarHBondContact O-N 3.39Å |
| 376 | L | 78 | Confident | 75.7 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | trans | -74.2 | 126.6 | -177.9 | -66.7 | 173.9 | 0 | 0 | 0 | 111.5 | Y378 | L376-Y378 VanDerWaalsContact C-N 3.28Å; L376-Y378 HydrophobicContact CB-CD1 4.46Å; L376-Y378 HydrophobicContact CB-CE1 4.01Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 HydrophobicContact CD1-CE1 4.21Å; L376-Y378 VanDerWaalsContact O-CD2 3.29Å; L376-Y378 WeakPolarHBondContact O-CD2 3.26Å; L376-Y378 PolarHBondContact O-N 2.93Å | ||
| 377 | P | 76.3 | Confident | 74.7 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -80.3 | 71.6 | -178.4 | 33.6 | -36.9 | 0 | 0 | 0 | 111.3 | D379 V380 F381 | P377-D379 PolarHBondContact O-N 3.16Å; P377-D379 VanDerWaalsContact O-N 3.14Å; P377-V380 HydrophobicContact CB-CB 4.21Å; P377-V380 HydrophobicContact CB-CG2 3.98Å; P377-V380 WeakPolarHBondContact O-CB 3.25Å; P377-V380 PolarHBondContact O-N 2.87Å; P377-F381 HydrophobicContact CG-CE2 4.14Å; P377-F381 WeakPolarHBondContact O-CD2 3.48Å; P377-F381 PolarHBondContact O-N 3.21Å | ||
| 378 | Y | 72.1 | Confident | 73.3 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54 | -32.9 | -177.6 | -62.2 | -67.4 | 0 | 0 | 0 | 113.8 | L376 V380 F381 N382 F397 L400 | L376-Y378 VanDerWaalsContact C-N 3.28Å; L376-Y378 HydrophobicContact CB-CD1 4.46Å; L376-Y378 HydrophobicContact CB-CE1 4.01Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 HydrophobicContact CD1-CE1 4.21Å; L376-Y378 VanDerWaalsContact O-CD2 3.29Å; L376-Y378 WeakPolarHBondContact O-CD2 3.26Å; L376-Y378 PolarHBondContact O-N 2.93Å; Y378-V380 VanDerWaalsContact C-N 3.34Å; Y378-V380 PolarHBondContact O-N 3.42Å; Y378-F381 PolarHBondContact O-N 2.83Å; Y378-N382 PolarHBondContact O-N 2.78Å; Y378-F397 HydrophobicContact CD1-CD1 4.07Å; Y378-L400 HydrophobicContact CD1-CB 4.31Å; Y378-L400 HydrophobicContact CE1-CB 4.09Å; Y378-L400 HydrophobicContact CE1-CD1 4.38Å; Y378-L400 HydrophobicContact CE2-CB 4.3Å; Y378-L400 WeakPolarHBondContact CE2-O 3.48Å |
| 379 | D | 67.1 | Low | 71.8 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.3 | -71 | -72.7 | 0 | 0 | 0 | 113.2 | L323 P377 N382 A383 K401 R404 | L323-D379 HydrophobicContact CD1-CB 4.3Å; L323-D379 HydrophobicContact CG-CB 4.48Å; P377-D379 PolarHBondContact O-N 3.16Å; P377-D379 VanDerWaalsContact O-N 3.14Å; D379-N382 PolarHBondContact O-N 3.39Å; D379-A383 PolarHBondContact O-N 3.22Å; D379-K401 VanDerWaalsContact CG-CE 3.48Å; D379-K401 WeakPolarHBondContact OD1-CE 3.44Å; D379-K401 IonicContact OD1-NZ 2.66Å; D379-K401 PolarHBondContact OD1-NZ 3.44Å; D379-K401 WeakPolarHBondContact OD2-CE 3.41Å; D379-K401 IonicContact OD2-NZ 2.96Å; D379-K401 PolarHBondContact OD2-NZ 3.41Å; D379-R404 IonicContact OD2-NH1 3.7Å; D379-R404 IonicContact OD2-NH2 3.88Å; D379-R404 PolarHBondContact OD2-NH2 3.37Å |
| 380 | V | 69.6 | Low | 70.4 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 34% | 0.339 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | P377 Y378 N382 A383 F384 | P377-V380 HydrophobicContact CB-CB 4.21Å; P377-V380 HydrophobicContact CB-CG2 3.98Å; P377-V380 WeakPolarHBondContact O-CB 3.25Å; P377-V380 PolarHBondContact O-N 2.87Å; Y378-V380 VanDerWaalsContact C-N 3.34Å; Y378-V380 PolarHBondContact O-N 3.42Å; V380-N382 VanDerWaalsContact C-N 3.34Å; V380-N382 PolarHBondContact O-N 3.45Å; V380-A383 PolarHBondContact O-N 2.96Å; V380-F384 HydrophobicContact CG1-CD2 3.95Å; V380-F384 HydrophobicContact CG1-CE2 3.58Å; V380-F384 WeakPolarHBondContact O-CD2 3.48Å; V380-F384 PolarHBondContact O-N 3.2Å |
| 381 | F | 70.7 | Confident | 69.4 | Low | 105 Ų | 105 | 65.9 Ų | 65.9 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.6 | -65.6 | -62.2 | 0 | 0 | 0 | 112.3 | P377 Y378 F384 | P377-F381 HydrophobicContact CG-CE2 4.14Å; P377-F381 WeakPolarHBondContact O-CD2 3.48Å; P377-F381 PolarHBondContact O-N 3.21Å; Y378-F381 PolarHBondContact O-N 2.83Å; F381-F384 PolarHBondContact O-N 3.22Å |
| 382 | N | 66.7 | Low | 68.2 | Low | 23 Ų | 23 | 70.3 Ų | 70.3 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 173.2 | -85.9 | -7.7 | 0 | 0 | 0 | 112.8 | Y378 D379 V380 F384 Q385 S394 F397 | Y378-N382 PolarHBondContact O-N 2.78Å; D379-N382 PolarHBondContact O-N 3.39Å; V380-N382 VanDerWaalsContact C-N 3.34Å; V380-N382 PolarHBondContact O-N 3.45Å; N382-F384 VanDerWaalsContact C-N 3.26Å; N382-F384 PolarHBondContact O-N 2.77Å; N382-Q385 PolarHBondContact O-N 3.42Å; N382-S394 PolarHBondContact ND2-O 3.33Å; N382-S394 PolarHBondContact ND2-OG 3.4Å; N382-F397 WeakPolarHBondContact OD1-CB 3.47Å; N382-F397 VanDerWaalsContact OD1-CD2 3.23Å; N382-F397 WeakPolarHBondContact OD1-CD2 3.44Å |
| 383 | A | 67.8 | Low | 67.4 | Low | 81 Ų | 81 | 71 Ų | 71 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.9 | -23.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D379 V380 | D379-A383 PolarHBondContact O-N 3.22Å; V380-A383 PolarHBondContact O-N 2.96Å |
| 384 | F | 67.6 | Low | 66.5 | Low | 172 Ų | 172 | 69.3 Ų | 69.3 | 75% | 0.754 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0 | 178.4 | -70.3 | -59.3 | 0 | 0 | 0 | 114.7 | V380 F381 N382 | V380-F384 HydrophobicContact CG1-CD2 3.95Å; V380-F384 HydrophobicContact CG1-CE2 3.58Å; V380-F384 WeakPolarHBondContact O-CD2 3.48Å; V380-F384 PolarHBondContact O-N 3.2Å; F381-F384 PolarHBondContact O-N 3.22Å; N382-F384 VanDerWaalsContact C-N 3.26Å; N382-F384 PolarHBondContact O-N 2.77Å |
| 385 | Q | 63.9 | Low | 65.8 | Low | 60 Ų | 60 | 72.8 Ų | 72.8 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -89.5 | 128.6 | 177.7 | -74.8 | -168.9 | 0.1 | 0 | 0 | 112.6 | N382 Q390 | N382-Q385 PolarHBondContact O-N 3.42Å; Q385-Q390 PolarHBondContact O-NE2 2.91Å |
| 386 | P | 59.2 | Low | 65 | Low | 95 Ų | 95 | 77.2 Ų | 77.2 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | trans | -66 | 150.5 | -179.4 | 28.1 | -35.1 | 0 | 0 | 0 | 112.2 | A388 T389 | P386-A388 PolarHBondContact O-N 2.8Å; P386-T389 PolarHBondContact O-N 2.88Å | ||
| 387 | E | 59.8 | Low | 64.4 | Low | 163 Ų | 163 | 77.1 Ų | 77.1 | 76% | 0.762 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -62.5 | -20.5 | -163.5 | -54.2 | -169.2 | 133.6 | 0 | 0 | 115.1 | T389 Q390 | E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 2.86Å; E387-Q390 WeakPolarHBondContact O-CB 3.33Å; E387-Q390 PolarHBondContact O-N 3Å |
| 388 | A | 53.6 | Low | 63.8 | Low | 104 Ų | 104 | 76 Ų | 76 | 86% | 0.86 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -64.7 | -25.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | P386 | P386-A388 PolarHBondContact O-N 2.8Š|
| 389 | T | 55.5 | Low | 63.5 | Low | 75 Ų | 75 | 78 Ų | 78 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -106.6 | 5.7 | -178.7 | -2.2 | 0 | 0 | 0 | 0 | 113.2 | P386 E387 S391 I393 | P386-T389 PolarHBondContact O-N 2.88Å; E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 2.86Å; T389-S391 PolarHBondContact O-N 2.89Å; T389-I393 HydrophobicContact CG2-CD1 3.65Å |
| 390 | Q | 56.9 | Low | 63.6 | Low | 74 Ų | 74 | 80.5 Ų | 80.5 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -86 | -15.8 | -144.7 | -162.7 | -174.4 | 70.6 | 0 | 0 | 115.5 | Q385 E387 S394 | Q385-Q390 PolarHBondContact O-NE2 2.91Å; E387-Q390 WeakPolarHBondContact O-CB 3.33Å; E387-Q390 PolarHBondContact O-N 3Å; Q390-S394 WeakPolarHBondContact O-CB 3.4Å; Q390-S394 PolarHBondContact O-N 3.28Å |
| 391 | S | 60.3 | Low | 63.6 | Low | 98 Ų | 98 | 79.2 Ų | 79.2 | 69% | 0.685 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.3 | -65 | -175.6 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | T389 S395 | T389-S391 PolarHBondContact O-N 2.89Å; S391-S395 PolarHBondContact O-N 3.38Å; S391-S395 PolarHBondContact O-OG 2.7Å |
| 392 | T | 60.9 | Low | 63.6 | Low | 93 Ų | 93 | 77.9 Ų | 77.9 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.1 | -37.4 | -176.8 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | S395 L396 | T392-S395 PolarHBondContact O-OG 2.72Å; T392-L396 HydrophobicContact CG2-CD1 4.22Å; T392-L396 VanDerWaalsContact O-CG 3.28Å; T392-L396 WeakPolarHBondContact O-CG 3.34Å; T392-L396 PolarHBondContact O-N 3.16Å; T392-L396 VanDerWaalsContact O-N 3.1Å |
| 393 | I | 67.1 | Low | 64 | Low | 60 Ų | 60 | 78.3 Ų | 78.3 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.2 | -41.2 | -176.6 | -63 | -177 | 0 | 0 | 0 | 110.7 | T389 S395 L396 F397 | T389-I393 HydrophobicContact CG2-CD1 3.65Å; I393-S395 PolarHBondContact O-N 3.41Å; I393-L396 PolarHBondContact O-N 3.48Å; I393-F397 HydrophobicContact CG2-CD2 3.62Å; I393-F397 HydrophobicContact CG2-CE2 3.39Å; I393-F397 VanDerWaalsContact O-CD2 3.28Å; I393-F397 WeakPolarHBondContact O-CD2 3.45Å; I393-F397 PolarHBondContact O-N 3.01Å |
| 394 | S | 62.8 | Low | 64.3 | Low | 42 Ų | 42 | 74.6 Ų | 74.6 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | N382 Q390 F397 G398 | N382-S394 PolarHBondContact ND2-O 3.33Å; N382-S394 PolarHBondContact ND2-OG 3.4Å; Q390-S394 WeakPolarHBondContact O-CB 3.4Å; Q390-S394 PolarHBondContact O-N 3.28Å; S394-F397 PolarHBondContact O-N 3.12Å; S394-G398 PolarHBondContact O-N 3.02Å |
| 395 | S | 64.9 | Low | 64.6 | Low | 73 Ų | 73 | 68 Ų | 68 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 174.9 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | S391 T392 I393 G398 A399 | S391-S395 PolarHBondContact O-N 3.38Å; S391-S395 PolarHBondContact O-OG 2.7Å; T392-S395 PolarHBondContact O-OG 2.72Å; I393-S395 PolarHBondContact O-N 3.41Å; S395-G398 PolarHBondContact O-N 2.75Å; S395-A399 PolarHBondContact O-N 2.97Å |
| 396 | L | 64.3 | Low | 65.1 | Low | 107 Ų | 107 | 69 Ų | 69 | 56% | 0.56 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 172.3 | -72.4 | 169.6 | 0 | 0 | 0 | 112.4 | T392 I393 G398 A399 L400 | T392-L396 HydrophobicContact CG2-CD1 4.22Å; T392-L396 VanDerWaalsContact O-CG 3.28Å; T392-L396 WeakPolarHBondContact O-CG 3.34Å; T392-L396 PolarHBondContact O-N 3.16Å; T392-L396 VanDerWaalsContact O-N 3.1Å; I393-L396 PolarHBondContact O-N 3.48Å; L396-G398 VanDerWaalsContact C-N 3.3Å; L396-G398 PolarHBondContact O-N 2.75Å; L396-A399 PolarHBondContact O-N 3.48Å; L396-L400 WeakPolarHBondContact O-CG 3.45Å; L396-L400 PolarHBondContact O-N 3.25Å |
| 397 | F | 66 | Low | 65.7 | Low | 56 Ų | 56 | 64.5 Ų | 64.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.5 | -31.3 | 171.8 | -76.6 | -58.3 | 0 | 0 | 0 | 112.8 | Y378 N382 I393 S394 L400 K401 | Y378-F397 HydrophobicContact CD1-CD1 4.07Å; N382-F397 WeakPolarHBondContact OD1-CB 3.47Å; N382-F397 VanDerWaalsContact OD1-CD2 3.23Å; N382-F397 WeakPolarHBondContact OD1-CD2 3.44Å; I393-F397 HydrophobicContact CG2-CD2 3.62Å; I393-F397 HydrophobicContact CG2-CE2 3.39Å; I393-F397 VanDerWaalsContact O-CD2 3.28Å; I393-F397 WeakPolarHBondContact O-CD2 3.45Å; I393-F397 PolarHBondContact O-N 3.01Å; S394-F397 PolarHBondContact O-N 3.12Å; F397-L400 HydrophobicContact CD1-CD1 3.7Å; F397-L400 HydrophobicContact CE1-CD1 4.09Å; F397-L400 PolarHBondContact O-N 2.88Å; F397-K401 PolarHBondContact O-N 3.4Å |
| 398 | G | 63.7 | Low | 66.4 | Low | 23 Ų | 23 | 60.4 Ų | 60.4 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S394 S395 L396 K401 | S394-G398 PolarHBondContact O-N 3.02Å; S395-G398 PolarHBondContact O-N 2.75Å; L396-G398 VanDerWaalsContact C-N 3.3Å; L396-G398 PolarHBondContact O-N 2.75Å; G398-K401 VanDerWaalsContact O-CB 3.27Å; G398-K401 WeakPolarHBondContact O-CB 3.5Å; G398-K401 VanDerWaalsContact O-CG 3.32Å; G398-K401 WeakPolarHBondContact O-CG 3.26Å; G398-K401 PolarHBondContact O-N 3.18Å |
| 399 | A | 65.8 | Low | 67.2 | Low | 58 Ų | 58 | 56 Ų | 56 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S395 L396 K401 V402 | S395-A399 PolarHBondContact O-N 2.97Å; L396-A399 PolarHBondContact O-N 3.48Å; A399-K401 PolarHBondContact O-N 3.1Å; A399-K401 VanDerWaalsContact O-N 3.14Å; A399-V402 VanDerWaalsContact O-CB 3.3Å; A399-V402 WeakPolarHBondContact O-CB 3.47Å; A399-V402 VanDerWaalsContact O-CG2 3.28Å; A399-V402 WeakPolarHBondContact O-CG2 3.41Å; A399-V402 PolarHBondContact O-N 2.93Å |
| 400 | L | 69.3 | Low | 68 | Low | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -16.9 | 173.8 | -76.1 | 169.4 | 0 | 0 | 0 | 113.4 | Y378 L396 F397 V402 V403 | Y378-L400 HydrophobicContact CD1-CB 4.31Å; Y378-L400 HydrophobicContact CE1-CB 4.09Å; Y378-L400 HydrophobicContact CE1-CD1 4.38Å; Y378-L400 HydrophobicContact CE2-CB 4.3Å; Y378-L400 WeakPolarHBondContact CE2-O 3.48Å; L396-L400 WeakPolarHBondContact O-CG 3.45Å; L396-L400 PolarHBondContact O-N 3.25Å; F397-L400 HydrophobicContact CD1-CD1 3.7Å; F397-L400 HydrophobicContact CE1-CD1 4.09Å; F397-L400 PolarHBondContact O-N 2.88Å; L400-V402 PolarHBondContact O-N 2.93Å; L400-V402 VanDerWaalsContact O-N 3.13Å; L400-V403 HydrophobicContact CD2-CG2 4.19Å; L400-V403 WeakPolarHBondContact O-CB 3.45Å; L400-V403 VanDerWaalsContact O-CG2 3.22Å; L400-V403 WeakPolarHBondContact O-CG2 3.49Å; L400-V403 PolarHBondContact O-N 2.91Å |
| 401 | K | 67.8 | Low | 68.6 | Low | 28 Ų | 28 | 50.9 Ų | 50.9 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -56.6 | -26.2 | 167.7 | -63.5 | -170.1 | -176.4 | -152.1 | 0 | 113.3 | V306 D379 F397 G398 A399 V403 R404 | V306-K401 HydrophobicContact CG1-CB 3.99Å; V306-K401 WeakPolarHBondContact CG1-O 3.34Å; D379-K401 VanDerWaalsContact CG-CE 3.48Å; D379-K401 WeakPolarHBondContact OD1-CE 3.44Å; D379-K401 IonicContact OD1-NZ 2.66Å; D379-K401 PolarHBondContact OD1-NZ 3.44Å; D379-K401 WeakPolarHBondContact OD2-CE 3.41Å; D379-K401 IonicContact OD2-NZ 2.96Å; D379-K401 PolarHBondContact OD2-NZ 3.41Å; F397-K401 PolarHBondContact O-N 3.4Å; G398-K401 VanDerWaalsContact O-CB 3.27Å; G398-K401 WeakPolarHBondContact O-CB 3.5Å; G398-K401 VanDerWaalsContact O-CG 3.32Å; G398-K401 WeakPolarHBondContact O-CG 3.26Å; G398-K401 PolarHBondContact O-N 3.18Å; A399-K401 PolarHBondContact O-N 3.1Å; A399-K401 VanDerWaalsContact O-N 3.14Å; K401-V403 PolarHBondContact O-N 3.13Å; K401-V403 VanDerWaalsContact O-N 3.13Å; K401-R404 WeakPolarHBondContact O-CB 3.24Å; K401-R404 WeakPolarHBondContact O-CG 3.46Å; K401-R404 PolarHBondContact O-N 3.01Å |
| 402 | V | 71.4 | Confident | 69 | Low | 78 Ų | 78 | 48.6 Ų | 48.6 | 47% | 0.473 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -59.3 | -23.3 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | A399 L400 R404 L405 | A399-V402 VanDerWaalsContact O-CB 3.3Å; A399-V402 WeakPolarHBondContact O-CB 3.47Å; A399-V402 VanDerWaalsContact O-CG2 3.28Å; A399-V402 WeakPolarHBondContact O-CG2 3.41Å; A399-V402 PolarHBondContact O-N 2.93Å; L400-V402 PolarHBondContact O-N 2.93Å; L400-V402 VanDerWaalsContact O-N 3.13Å; V402-R404 PolarHBondContact O-N 3.49Å; V402-L405 HydrophobicContact CG1-CD1 4.07Å; V402-L405 VanDerWaalsContact O-CB 3.28Å; V402-L405 WeakPolarHBondContact O-CB 3.34Å; V402-L405 WeakPolarHBondContact O-CG 3.48Å; V402-L405 PolarHBondContact O-N 3.27Å |
| 403 | V | 75.9 | Confident | 69.3 | Low | 32 Ų | 32 | 48 Ų | 48 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.2 | -26 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | L373 L400 K401 L405 L406 | L373-V403 HydrophobicContact CB-CG1 4.01Å; L373-V403 WeakPolarHBondContact O-CG1 3.49Å; L400-V403 HydrophobicContact CD2-CG2 4.19Å; L400-V403 WeakPolarHBondContact O-CB 3.45Å; L400-V403 VanDerWaalsContact O-CG2 3.22Å; L400-V403 WeakPolarHBondContact O-CG2 3.49Å; L400-V403 PolarHBondContact O-N 2.91Å; K401-V403 PolarHBondContact O-N 3.13Å; K401-V403 VanDerWaalsContact O-N 3.13Å; V403-L405 PolarHBondContact O-N 2.92Å; V403-L406 HydrophobicContact CG1-CD1 3.89Å; V403-L406 VanDerWaalsContact O-CB 3.31Å; V403-L406 WeakPolarHBondContact O-CB 3.43Å; V403-L406 WeakPolarHBondContact O-CG 3.48Å; V403-L406 PolarHBondContact O-N 3.17Å |
| 404 | R | 72.7 | Confident | 69.3 | Low | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -59.1 | -25.9 | 170.8 | -65.9 | 180 | 173.5 | 155.8 | -0.3 | 112.2 | V306 D326 D330 D379 K401 V402 L406 R407 | V306-R404 HydrophobicContact CG2-CB 4.24Å; D326-R404 IonicContact OD2-CZ 3.74Å; D326-R404 IonicContact OD2-NH1 3.29Å; D326-R404 PolarHBondContact OD2-NH1 3.45Å; D326-R404 IonicContact OD2-NH2 3.45Å; D330-R404 IonicContact OD1-CZ 3.72Å; D330-R404 IonicContact OD1-NE 2.7Å; D330-R404 PolarHBondContact OD1-NE 3Å; D330-R404 IonicContact OD1-NH2 3.98Å; D330-R404 IonicContact OD2-CZ 3.15Å; D330-R404 IonicContact OD2-NE 3.15Å; D330-R404 PolarHBondContact OD2-NE 3.46Å; D330-R404 IonicContact OD2-NH2 2.67Å; D330-R404 PolarHBondContact OD2-NH2 2.91Å; D379-R404 IonicContact OD2-NH1 3.7Å; D379-R404 IonicContact OD2-NH2 3.88Å; D379-R404 PolarHBondContact OD2-NH2 3.37Å; K401-R404 WeakPolarHBondContact O-CB 3.24Å; K401-R404 WeakPolarHBondContact O-CG 3.46Å; K401-R404 PolarHBondContact O-N 3.01Å; V402-R404 PolarHBondContact O-N 3.49Å; R404-L406 PolarHBondContact O-N 2.68Å; R404-R407 VanDerWaalsContact O-CB 3.23Å; R404-R407 WeakPolarHBondContact O-CB 3.39Å; R404-R407 VanDerWaalsContact O-CD 3.32Å; R404-R407 WeakPolarHBondContact O-CD 3.37Å; R404-R407 WeakPolarHBondContact O-CG 3.16Å; R404-R407 PolarHBondContact O-N 3.22Å; R404-R407 VanDerWaalsContact O-N 3.09Å |
| 405 | L | 74 | Confident | 69.7 | Low | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -65.1 | -21.1 | 176.2 | -60.7 | -174.9 | 0 | 0 | 0 | 113 | A303 V402 V403 R407 I408 W439 | A303-L405 HydrophobicContact CB-CD2 4.36Å; V402-L405 HydrophobicContact CG1-CD1 4.07Å; V402-L405 VanDerWaalsContact O-CB 3.28Å; V402-L405 WeakPolarHBondContact O-CB 3.34Å; V402-L405 WeakPolarHBondContact O-CG 3.48Å; V402-L405 PolarHBondContact O-N 3.27Å; V403-L405 PolarHBondContact O-N 2.92Å; L405-R407 PolarHBondContact O-N 2.74Å; L405-I408 WeakPolarHBondContact O-CB 3.38Å; L405-I408 VanDerWaalsContact O-CG2 3.26Å; L405-I408 WeakPolarHBondContact O-CG2 3.4Å; L405-I408 PolarHBondContact O-N 2.73Å; L405-W439 HydrophobicContact CD1-CH2 4.21Å; L405-W439 HydrophobicContact CD1-CZ2 3.95Å; L405-W439 HydrophobicContact CD2-CZ2 4.05Å |
| 406 | L | 74.8 | Confident | 69.8 | Low | 82 Ų | 82 | 49.2 Ų | 49.2 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -60.7 | -16.6 | 172.7 | -60.7 | -179.4 | 0 | 0 | 0 | 112.9 | V370 V403 R404 I408 G409 | V370-L406 HydrophobicContact CG1-CB 3.87Å; V370-L406 HydrophobicContact CG1-CD1 4.35Å; V403-L406 HydrophobicContact CG1-CD1 3.89Å; V403-L406 VanDerWaalsContact O-CB 3.31Å; V403-L406 WeakPolarHBondContact O-CB 3.43Å; V403-L406 WeakPolarHBondContact O-CG 3.48Å; V403-L406 PolarHBondContact O-N 3.17Å; R404-L406 PolarHBondContact O-N 2.68Å; L406-I408 PolarHBondContact O-N 3.06Å; L406-I408 VanDerWaalsContact O-N 3.14Å; L406-G409 PolarHBondContact O-N 2.8Å |
| 407 | R | 71.4 | Confident | 69.9 | Low | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -56 | -24.2 | 170.3 | -66.4 | 169.1 | -175 | -175.7 | 0.8 | 112.5 | T299 D330 F333 S374 R404 L405 G409 R410 | T299-R407 HydrophobicContact CG2-CB 3.92Å; D330-R407 IonicContact OD1-CZ 2.81Å; D330-R407 VanDerWaalsContact OD1-CZ 3.3Å; D330-R407 IonicContact OD1-NH1 2.59Å; D330-R407 PolarHBondContact OD1-NH1 3.39Å; D330-R407 IonicContact OD1-NH2 3.6Å; D330-R407 PolarHBondContact OD1-NH2 3.21Å; F333-R407 HydrophobicContact CD1-CG 4.39Å; F333-R407 VanDerWaalsContact CD2-CZ 3.45Å; F333-R407 HydrophobicContact CE1-CB 4.41Å; F333-R407 HydrophobicContact CE1-CG 4.13Å; F333-R407 VanDerWaalsContact CE2-NH1 3.3Å; F333-R407 HydrophobicContact CZ-CG 4.43Å; S374-R407 VanDerWaalsContact O-CZ 3.27Å; S374-R407 PolarHBondContact O-NE 2.93Å; S374-R407 VanDerWaalsContact O-NE 3.14Å; S374-R407 PolarHBondContact O-NH2 3.13Å; S374-R407 WeakPolarHBondContact OG-CG 3.44Å; R404-R407 VanDerWaalsContact O-CB 3.23Å; R404-R407 WeakPolarHBondContact O-CB 3.39Å; R404-R407 VanDerWaalsContact O-CD 3.32Å; R404-R407 WeakPolarHBondContact O-CD 3.37Å; R404-R407 WeakPolarHBondContact O-CG 3.16Å; R404-R407 PolarHBondContact O-N 3.22Å; R404-R407 VanDerWaalsContact O-N 3.09Å; L405-R407 PolarHBondContact O-N 2.74Å; R407-G409 PolarHBondContact O-N 2.8Å; R407-G409 VanDerWaalsContact O-N 3.14Å; R407-R410 WeakPolarHBondContact O-CB 3.39Å; R407-R410 PolarHBondContact O-N 3.2Å |
| 408 | I | 74.4 | Confident | 70 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -22.8 | 172.9 | -152.9 | 168.8 | 0 | 0 | 0 | 112.7 | L405 L406 R410 V411 T412 | L405-I408 WeakPolarHBondContact O-CB 3.38Å; L405-I408 VanDerWaalsContact O-CG2 3.26Å; L405-I408 WeakPolarHBondContact O-CG2 3.4Å; L405-I408 PolarHBondContact O-N 2.73Å; L406-I408 PolarHBondContact O-N 3.06Å; L406-I408 VanDerWaalsContact O-N 3.14Å; I408-R410 PolarHBondContact O-N 3.33Å; I408-R410 VanDerWaalsContact O-N 3.16Å; I408-V411 HydrophobicContact CG1-CG2 4.23Å; I408-V411 VanDerWaalsContact O-CB 3.32Å; I408-V411 WeakPolarHBondContact O-CB 3.25Å; I408-V411 PolarHBondContact O-N 3.43Å; I408-T412 PolarHBondContact O-N 3.44Å |
| 409 | G | 70.6 | Confident | 70.2 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.1 | 0.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.2 | W367 L406 R407 T412 R413 | W367-G409 WeakPolarHBondContact CH2-O 3.38Å; W367-G409 WeakPolarHBondContact CZ3-O 3.39Å; L406-G409 PolarHBondContact O-N 2.8Å; R407-G409 PolarHBondContact O-N 2.8Å; R407-G409 VanDerWaalsContact O-N 3.14Å; G409-T412 PolarHBondContact O-OG1 3.12Å; G409-R413 WeakPolarHBondContact O-CG 3.44Å; G409-R413 PolarHBondContact O-NE 2.99Å; G409-R413 PolarHBondContact O-NH2 3.02Å |
| 410 | R | 72.7 | Confident | 70.3 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.8 | -37.8 | 161 | -70.1 | 177.2 | 163 | 90.2 | -15.5 | 111.5 | D336 D371 R407 I408 T412 R413 | D336-R410 IonicContact OD2-CZ 3.32Å; D336-R410 IonicContact OD2-NE 3.4Å; D336-R410 PolarHBondContact OD2-NE 3.18Å; D336-R410 IonicContact OD2-NH2 2.74Å; D336-R410 PolarHBondContact OD2-NH2 2.76Å; D371-R410 IonicContact OD1-CZ 3.61Å; D371-R410 IonicContact OD1-NE 2.74Å; D371-R410 IonicContact OD1-NH1 2.75Å; D371-R410 PolarHBondContact OD1-NH1 3.13Å; D371-R410 IonicContact OD1-NH2 3.58Å; R407-R410 WeakPolarHBondContact O-CB 3.39Å; R407-R410 PolarHBondContact O-N 3.2Å; I408-R410 PolarHBondContact O-N 3.33Å; I408-R410 VanDerWaalsContact O-N 3.16Å; R410-T412 VanDerWaalsContact C-N 3.31Å; R410-T412 PolarHBondContact O-N 2.83Å; R410-R413 WeakPolarHBondContact O-CB 3.17Å; R410-R413 PolarHBondContact O-N 2.91Å; R410-R413 VanDerWaalsContact O-N 3.12Å |
| 411 | V | 69.3 | Low | 70.3 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | L296 T299 I408 R413 K414 L415 L428 | L296-V411 HydrophobicContact CD1-CB 4.33Å; L296-V411 HydrophobicContact CD1-CG1 3.88Å; L296-V411 HydrophobicContact CD1-CG2 3.62Å; T299-V411 HydrophobicContact CG2-CG2 4.22Å; I408-V411 HydrophobicContact CG1-CG2 4.23Å; I408-V411 VanDerWaalsContact O-CB 3.32Å; I408-V411 WeakPolarHBondContact O-CB 3.25Å; I408-V411 PolarHBondContact O-N 3.43Å; V411-R413 PolarHBondContact O-N 3.43Å; V411-K414 CarbonylContact O-C 3.52Å; V411-K414 PolarHBondContact O-N 2.92Å; V411-L415 PolarHBondContact O-N 3.48Å; V411-L428 HydrophobicContact CG1-CD1 4.21Å |
| 412 | T | 68.9 | Low | 70.4 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -29.6 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | I408 G409 R410 K414 L415 P1415 | I408-T412 PolarHBondContact O-N 3.44Å; G409-T412 PolarHBondContact O-OG1 3.12Å; R410-T412 VanDerWaalsContact C-N 3.31Å; R410-T412 PolarHBondContact O-N 2.83Å; T412-K414 PolarHBondContact O-N 3.48Å; T412-L415 PolarHBondContact O-N 3.35Å; T412-P1415 HydrophobicContact CG2-CB 4.35Å |
| 413 | R | 68.5 | Low | 70.6 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.2 | -16.6 | 175.4 | -51.6 | 174.1 | -153.3 | 170.3 | 8.8 | 113.2 | W367 D371 G409 R410 V411 | W367-R413 VanDerWaalsContact CD2-CZ 3.49Å; W367-R413 VanDerWaalsContact CD2-NE 3.33Å; W367-R413 VanDerWaalsContact CG-CZ 3.5Å; W367-R413 HydrophobicContact CZ2-CG 4.01Å; D371-R413 IonicContact OD1-CZ 2.9Å; D371-R413 IonicContact OD1-NH1 2.75Å; D371-R413 IonicContact OD1-NH2 3.9Å; D371-R413 PolarHBondContact OD1-NH2 3.39Å; D371-R413 IonicContact OD2-CZ 2.65Å; D371-R413 IonicContact OD2-NH1 3.41Å; D371-R413 PolarHBondContact OD2-NH1 3.16Å; D371-R413 IonicContact OD2-NH2 3.97Å; D371-R413 PolarHBondContact OD2-NH2 2.93Å; G409-R413 WeakPolarHBondContact O-CG 3.44Å; G409-R413 PolarHBondContact O-NE 2.99Å; G409-R413 PolarHBondContact O-NH2 3.02Å; R410-R413 WeakPolarHBondContact O-CB 3.17Å; R410-R413 PolarHBondContact O-N 2.91Å; R410-R413 VanDerWaalsContact O-N 3.12Å; V411-R413 PolarHBondContact O-N 3.43Å |
| 414 | K | 66.5 | Low | 70.4 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -112.7 | -8.7 | 177.2 | -66 | -69.9 | -172 | 161 | 0 | 112.9 | D292 V411 T412 D416 Q417 Y418 | D292-K414 WeakPolarHBondContact OD2-CE 3.47Å; D292-K414 IonicContact OD2-NZ 3.5Å; D292-K414 PolarHBondContact OD2-NZ 3.13Å; V411-K414 CarbonylContact O-C 3.52Å; V411-K414 PolarHBondContact O-N 2.92Å; T412-K414 PolarHBondContact O-N 3.48Å; K414-D416 VanDerWaalsContact C-N 3.32Å; K414-D416 PolarHBondContact O-N 3.31Å; K414-Q417 WeakPolarHBondContact O-CB 3.33Å; K414-Q417 PolarHBondContact O-N 3.25Å; K414-Y418 HydrophobicContact CB-CD2 3.94Å; K414-Y418 HydrophobicContact CB-CE2 3.55Å; K414-Y418 WeakPolarHBondContact O-CD2 3.24Å; K414-Y418 PolarHBondContact O-N 3.44Å; K414-Y418 VanDerWaalsContact O-N 3.12Å |
| 415 | L | 70.9 | Confident | 70.4 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.2 | -42.5 | -173.9 | -178.1 | 61.1 | 0 | 0 | 0 | 111.8 | V411 T412 Q417 Y418 L419 L428 | V411-L415 PolarHBondContact O-N 3.48Å; T412-L415 PolarHBondContact O-N 3.35Å; L415-Q417 VanDerWaalsContact C-N 3.29Å; L415-Q417 PolarHBondContact O-N 2.94Å; L415-Y418 CarbonylContact O-C 3.52Å; L415-Y418 PolarHBondContact O-N 3.42Å; L415-L419 HydrophobicContact CD1-CD1 4.15Å; L415-L419 HydrophobicContact CD1-CD2 4.18Å; L415-L419 HydrophobicContact CD1-CG 3.87Å; L415-L419 HydrophobicContact CD2-CD1 4.39Å; L415-L419 HydrophobicContact CG-CD1 3.8Å; L415-L419 HydrophobicContact CG-CG 4Å; L415-L419 WeakPolarHBondContact O-CB 3.44Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.16Å; L415-L419 PolarHBondContact O-N 3.29Å; L415-L428 HydrophobicContact CD1-CD1 4.08Å; L415-L428 HydrophobicContact CD1-CD2 3.64Å |
| 416 | D | 66.4 | Low | 70.6 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -51.6 | -46.7 | 173 | -78.1 | -3.9 | 0 | 0 | 0 | 112.2 | K414 Y418 L419 E420 | K414-D416 VanDerWaalsContact C-N 3.32Å; K414-D416 PolarHBondContact O-N 3.31Å; D416-Y418 VanDerWaalsContact C-N 3.32Å; D416-Y418 PolarHBondContact O-N 2.99Å; D416-L419 PolarHBondContact O-N 3.11Å; D416-E420 PolarHBondContact O-N 3.44Å |
| 417 | Q | 66.5 | Low | 70.8 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.2 | -29.9 | 179.4 | -173.1 | -179.8 | -1.3 | 0 | 0 | 112.5 | K414 L415 Y421 | K414-Q417 WeakPolarHBondContact O-CB 3.33Å; K414-Q417 PolarHBondContact O-N 3.25Å; L415-Q417 VanDerWaalsContact C-N 3.29Å; L415-Q417 PolarHBondContact O-N 2.94Å; Q417-Y421 VanDerWaalsContact O-CD2 3.3Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.25Å |
| 418 | Y | 68.5 | Low | 71.1 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -83.1 | -28.7 | 175.8 | -65.3 | -52.7 | 0 | 0 | 0 | 113.1 | W293 L296 K414 L415 D416 E420 Y421 | W293-Y418 HydrophobicContact CH2-CD1 4.49Å; W293-Y418 AromaticContact CH2-CE1 3.56Å; W293-Y418 HydrophobicContact CH2-CE1 3.56Å; W293-Y418 AromaticContact CZ2-CE1 3.6Å; W293-Y418 HydrophobicContact CZ2-CE1 3.6Å; W293-Y418 HydrophobicContact CZ3-CE1 4.28Å; L296-Y418 HydrophobicContact CD2-CE2 4.1Å; K414-Y418 HydrophobicContact CB-CD2 3.94Å; K414-Y418 HydrophobicContact CB-CE2 3.55Å; K414-Y418 WeakPolarHBondContact O-CD2 3.24Å; K414-Y418 PolarHBondContact O-N 3.44Å; K414-Y418 VanDerWaalsContact O-N 3.12Å; L415-Y418 CarbonylContact O-C 3.52Å; L415-Y418 PolarHBondContact O-N 3.42Å; D416-Y418 VanDerWaalsContact C-N 3.32Å; D416-Y418 PolarHBondContact O-N 2.99Å; Y418-E420 VanDerWaalsContact C-N 3.34Å; Y418-Y421 PolarHBondContact O-N 3.08Å |
| 419 | L | 68.1 | Low | 71.2 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 44% | 0.44 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.8 | -22.8 | 175 | -69.5 | 178.6 | 0 | 0 | 0 | 112.8 | L415 D416 Y421 S425 | L415-L419 HydrophobicContact CD1-CD1 4.15Å; L415-L419 HydrophobicContact CD1-CD2 4.18Å; L415-L419 HydrophobicContact CD1-CG 3.87Å; L415-L419 HydrophobicContact CD2-CD1 4.39Å; L415-L419 HydrophobicContact CG-CD1 3.8Å; L415-L419 HydrophobicContact CG-CG 4Å; L415-L419 WeakPolarHBondContact O-CB 3.44Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.16Å; L415-L419 PolarHBondContact O-N 3.29Å; D416-L419 PolarHBondContact O-N 3.11Å; L419-Y421 PolarHBondContact O-N 3.16Å; L419-S425 VanDerWaalsContact CD2-OG 3.3Å; L419-S425 WeakPolarHBondContact CD2-OG 3.34Å |
| 420 | E | 67.9 | Low | 71.8 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27 | 167.5 | -75.1 | -175.7 | 166.8 | 0 | 0 | 112.1 | D416 Y418 | D416-E420 PolarHBondContact O-N 3.44Å; Y418-E420 VanDerWaalsContact C-N 3.34Å |
| 421 | Y | 69.5 | Low | 72.2 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -103.8 | 102.7 | 178.4 | -62.9 | -81.8 | 0 | 0 | 0 | 111.7 | Q417 Y418 L419 A423 A424 S425 | Q417-Y421 VanDerWaalsContact O-CD2 3.3Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.25Å; Y418-Y421 PolarHBondContact O-N 3.08Å; L419-Y421 PolarHBondContact O-N 3.16Å; Y421-A423 VanDerWaalsContact C-N 3.27Å; Y421-A423 PolarHBondContact O-N 2.96Å; Y421-A423 VanDerWaalsContact O-N 3.1Å; Y421-A424 WeakPolarHBondContact O-CB 3.18Å; Y421-A424 PolarHBondContact O-N 3.33Å; Y421-S425 PolarHBondContact O-N 2.87Å |
| 422 | M | 70 | Confident | 72.7 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -49.2 | -41.5 | -176.5 | -67.4 | -177.8 | -179.2 | 0 | 0 | 114.5 | S425 L426 I530 M534 | M422-S425 WeakPolarHBondContact O-CB 3.42Å; M422-S425 PolarHBondContact O-N 3.48Å; M422-L426 PolarHBondContact O-N 3.06Å; M422-L426 VanDerWaalsContact O-N 3.14Å; M422-I530 HydrophobicContact CB-CG2 4.3Å; M422-M534 HydrophobicContact SD-CB 4.36Å |
| 423 | A | 74.1 | Confident | 73.3 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.2 | -35.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y421 L426 L427 | Y421-A423 VanDerWaalsContact C-N 3.27Å; Y421-A423 PolarHBondContact O-N 2.96Å; Y421-A423 VanDerWaalsContact O-N 3.1Å; A423-L426 PolarHBondContact O-N 2.74Å; A423-L427 PolarHBondContact O-N 3.01Å; A423-L427 VanDerWaalsContact O-N 3.11Å |
| 424 | A | 73.8 | Confident | 74.2 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 26% | 0.256 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y421 L426 L427 L428 | Y421-A424 WeakPolarHBondContact O-CB 3.18Å; Y421-A424 PolarHBondContact O-N 3.33Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 PolarHBondContact O-N 2.75Å; A424-L427 PolarHBondContact O-N 3.47Å; A424-L428 VanDerWaalsContact O-CB 3.27Å; A424-L428 WeakPolarHBondContact O-CB 3.35Å; A424-L428 PolarHBondContact O-N 3.07Å |
| 425 | S | 71.9 | Confident | 75.1 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 170.8 | -173.8 | 0 | 0 | 0 | 0 | 112 | L419 Y421 M422 M429 | L419-S425 VanDerWaalsContact CD2-OG 3.3Å; L419-S425 WeakPolarHBondContact CD2-OG 3.34Å; Y421-S425 PolarHBondContact O-N 2.87Å; M422-S425 WeakPolarHBondContact O-CB 3.42Å; M422-S425 PolarHBondContact O-N 3.48Å; S425-M429 WeakPolarHBondContact O-CB 3.46Å; S425-M429 PolarHBondContact O-N 3.16Å |
| 426 | L | 77.5 | Confident | 75.8 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 176 | -176.1 | 68.5 | 0 | 0 | 0 | 111.4 | M422 A423 A424 L428 M429 I430 V527 I530 | M422-L426 PolarHBondContact O-N 3.06Å; M422-L426 VanDerWaalsContact O-N 3.14Å; A423-L426 PolarHBondContact O-N 2.74Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 PolarHBondContact O-N 2.75Å; L426-L428 PolarHBondContact O-N 3.15Å; L426-M429 HydrophobicContact CD1-CE 3.84Å; L426-M429 PolarHBondContact O-N 2.78Å; L426-I430 HydrophobicContact CD1-CD1 4.23Å; L426-I430 HydrophobicContact CG-CD1 3.95Å; L426-I430 WeakPolarHBondContact O-CG1 3.29Å; L426-I430 PolarHBondContact O-N 3.43Å; L426-V527 HydrophobicContact CD1-CG2 4.42Å; L426-I530 HydrophobicContact CB-CD1 4.41Å |
| 427 | L | 79.6 | Confident | 76.9 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 179 | 179.8 | 62 | 0 | 0 | 0 | 112.4 | A423 A424 M429 I430 S431 | A423-L427 PolarHBondContact O-N 3.01Å; A423-L427 VanDerWaalsContact O-N 3.11Å; A424-L427 PolarHBondContact O-N 3.47Å; L427-M429 VanDerWaalsContact C-N 3.35Å; L427-M429 PolarHBondContact O-N 3.44Å; L427-I430 PolarHBondContact O-N 2.87Å; L427-S431 VanDerWaalsContact O-CB 3.31Å; L427-S431 WeakPolarHBondContact O-CB 3.38Å; L427-S431 PolarHBondContact O-N 2.9Å |
| 428 | L | 78 | Confident | 78.1 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 178.4 | -179.2 | 129.6 | 0 | 0 | 0 | 111.7 | V411 L415 A424 L426 G432 | V411-L428 HydrophobicContact CG1-CD1 4.21Å; L415-L428 HydrophobicContact CD1-CD1 4.08Å; L415-L428 HydrophobicContact CD1-CD2 3.64Å; A424-L428 VanDerWaalsContact O-CB 3.27Å; A424-L428 WeakPolarHBondContact O-CB 3.35Å; A424-L428 PolarHBondContact O-N 3.07Å; L426-L428 PolarHBondContact O-N 3.15Å; L428-G432 PolarHBondContact O-N 2.99Å |
| 429 | M | 76.6 | Confident | 79.1 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 176.4 | 178.3 | -178.5 | 63.2 | 0 | 0 | 112.7 | S425 L426 L427 G432 F433 I523 N526 V527 I530 | S425-M429 WeakPolarHBondContact O-CB 3.46Å; S425-M429 PolarHBondContact O-N 3.16Å; L426-M429 HydrophobicContact CD1-CE 3.84Å; L426-M429 PolarHBondContact O-N 2.78Å; L427-M429 VanDerWaalsContact C-N 3.35Å; L427-M429 PolarHBondContact O-N 3.44Å; M429-G432 PolarHBondContact O-N 3.46Å; M429-F433 PolarHBondContact O-N 2.91Å; M429-I523 HydrophobicContact CE-CG2 4.35Å; M429-I523 HydrophobicContact CG-CG2 4.29Å; M429-I523 HydrophobicContact SD-CG2 4.01Å; M429-N526 HydrophobicContact CE-CB 4.48Å; M429-N526 HydrophobicContact SD-CB 3.49Å; M429-N526 WeakPolarHBondContact SD-CB 3.49Å; M429-V527 HydrophobicContact CE-CB 4.34Å; M429-V527 HydrophobicContact CE-CG2 3.31Å; M429-V527 HydrophobicContact SD-CG2 4.43Å; M429-I530 HydrophobicContact CE-CD1 4.27Å |
| 430 | I | 81.7 | Confident | 80.1 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 46% | 0.456 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.1 | -68.8 | 168.1 | 0 | 0 | 0 | 110.2 | L426 L427 G432 F433 V434 | L426-I430 HydrophobicContact CD1-CD1 4.23Å; L426-I430 HydrophobicContact CG-CD1 3.95Å; L426-I430 WeakPolarHBondContact O-CG1 3.29Å; L426-I430 PolarHBondContact O-N 3.43Å; L427-I430 PolarHBondContact O-N 2.87Å; I430-G432 VanDerWaalsContact C-N 3.35Å; I430-G432 PolarHBondContact O-N 3.2Å; I430-F433 WeakPolarHBondContact O-CB 3.47Å; I430-F433 PolarHBondContact O-N 3Å; I430-V434 WeakPolarHBondContact O-CG2 3.45Å; I430-V434 PolarHBondContact O-N 3.34Å |
| 431 | S | 80.9 | Confident | 81.2 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | L427 F433 V434 L435 | L427-S431 VanDerWaalsContact O-CB 3.31Å; L427-S431 WeakPolarHBondContact O-CB 3.38Å; L427-S431 PolarHBondContact O-N 2.9Å; S431-F433 VanDerWaalsContact C-N 3.35Å; S431-F433 PolarHBondContact O-N 3.48Å; S431-V434 PolarHBondContact O-N 2.91Å; S431-L435 VanDerWaalsContact O-CB 3.31Å; S431-L435 WeakPolarHBondContact O-CB 3.42Å; S431-L435 PolarHBondContact O-N 2.92Å |
| 432 | G | 80.7 | Confident | 82.2 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L428 M429 I430 L436 | L428-G432 PolarHBondContact O-N 2.99Å; M429-G432 PolarHBondContact O-N 3.46Å; I430-G432 VanDerWaalsContact C-N 3.35Å; I430-G432 PolarHBondContact O-N 3.2Å; G432-L436 WeakPolarHBondContact O-CB 3.41Å; G432-L436 PolarHBondContact O-N 3.21Å |
| 433 | F | 82.1 | Confident | 83 | Confident | 28 Ų | 28 | 49 Ų | 49 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -47 | 174.2 | 172.1 | -101.2 | 0 | 0 | 0 | 112.3 | M429 I430 S431 L435 L436 A437 L500 I503 T504 I523 | M429-F433 PolarHBondContact O-N 2.91Å; I430-F433 WeakPolarHBondContact O-CB 3.47Å; I430-F433 PolarHBondContact O-N 3Å; S431-F433 VanDerWaalsContact C-N 3.35Å; S431-F433 PolarHBondContact O-N 3.48Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 2.92Å; F433-L436 PolarHBondContact O-N 3.37Å; F433-A437 PolarHBondContact O-N 2.97Å; F433-L500 HydrophobicContact CE1-CD2 4.18Å; F433-I503 HydrophobicContact CD2-CG2 4.27Å; F433-I503 HydrophobicContact CE2-CB 4Å; F433-I503 HydrophobicContact CE2-CG2 3.6Å; F433-I503 HydrophobicContact CZ-CB 4.5Å; F433-T504 HydrophobicContact CZ-CG2 3.91Å; F433-I523 HydrophobicContact CB-CD1 4.05Å; F433-I523 HydrophobicContact CD2-CD1 3.43Å; F433-I523 VanDerWaalsContact CD2-CD1 3.43Å; F433-I523 HydrophobicContact CE2-CD1 4.26Å; F433-I523 HydrophobicContact CG-CD1 4.12Å |
| 434 | V | 86.2 | Confident | 83.7 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | I430 S431 A437 H438 | I430-V434 WeakPolarHBondContact O-CG2 3.45Å; I430-V434 PolarHBondContact O-N 3.34Å; S431-V434 PolarHBondContact O-N 2.91Å; V434-A437 PolarHBondContact O-N 3.4Å; V434-H438 WeakPolarHBondContact O-CB 3.16Å; V434-H438 PolarHBondContact O-N 3.32Å |
| 435 | L | 87.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 175.9 | -175.1 | 64.2 | 0 | 0 | 0 | 112.2 | A303 V304 S431 F433 H438 W439 | A303-L435 HydrophobicContact CB-CD1 3.81Å; A303-L435 HydrophobicContact CB-CD2 3.98Å; A303-L435 WeakPolarHBondContact O-CD1 3.49Å; V304-L435 HydrophobicContact CG2-CD1 3.97Å; S431-L435 VanDerWaalsContact O-CB 3.31Å; S431-L435 WeakPolarHBondContact O-CB 3.42Å; S431-L435 PolarHBondContact O-N 2.92Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 2.92Å; L435-H438 PolarHBondContact O-N 3.21Å; L435-W439 HydrophobicContact CD1-CZ2 4.44Å; L435-W439 HydrophobicContact CD2-CZ2 3.97Å; L435-W439 HydrophobicContact CG-CZ2 4.12Å; L435-W439 PolarHBondContact O-N 3.24Å |
| 436 | L | 85.5 | Confident | 84.9 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.4 | 179.1 | 64.1 | 0 | 0 | 0 | 111.8 | G432 F433 H438 W439 L440 M1419 | G432-L436 WeakPolarHBondContact O-CB 3.41Å; G432-L436 PolarHBondContact O-N 3.21Å; F433-L436 PolarHBondContact O-N 3.37Å; L436-H438 VanDerWaalsContact C-N 3.3Å; L436-H438 PolarHBondContact O-N 2.74Å; L436-W439 PolarHBondContact O-N 2.94Å; L436-L440 HydrophobicContact CD1-CD1 4.23Å; L436-L440 HydrophobicContact CD1-CG 4.42Å; L436-L440 HydrophobicContact CG-CD1 4.15Å; L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.4Å; L436-M1419 HydrophobicContact CD2-CE 3.97Å |
| 437 | A | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F433 V434 A441 L496 T499 L500 I503 | F433-A437 PolarHBondContact O-N 2.97Å; V434-A437 PolarHBondContact O-N 3.4Å; A437-A441 VanDerWaalsContact O-CB 3.31Å; A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.14Å; A437-L496 HydrophobicContact CB-CD1 4.3Å; A437-T499 PolarHBondContact O-OG1 2.93Å; A437-L500 HydrophobicContact CB-CD2 3.56Å; A437-L500 HydrophobicContact CB-CG 4.1Å; A437-I503 HydrophobicContact CB-CD1 3.75Å |
| 438 | H | 91.6 | Very high | 85.4 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.023 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 173.8 | 174.2 | 78.7 | 0 | 0 | 0 | 112.8 | V304 V434 L435 L436 L440 A441 C442 Y492 | V304-H438 PolarHBondContact O-NE2 2.98Å; V434-H438 WeakPolarHBondContact O-CB 3.16Å; V434-H438 PolarHBondContact O-N 3.32Å; L435-H438 PolarHBondContact O-N 3.21Å; L436-H438 VanDerWaalsContact C-N 3.3Å; L436-H438 PolarHBondContact O-N 2.74Å; H438-L440 PolarHBondContact O-N 3.48Å; H438-A441 WeakPolarHBondContact O-CB 3.44Å; H438-A441 PolarHBondContact O-N 3.1Å; H438-A441 VanDerWaalsContact O-N 3.15Å; H438-C442 VanDerWaalsContact CE1-SG 3.58Å; H438-C442 PolarHBondContact O-N 3.42Å; H438-C442 PolarHBondContact O-SG 3.43Å; H438-C442 VanDerWaalsContact O-SG 3.38Å; H438-Y492 AromaticContact CE1-CE2 3.71Å; H438-Y492 AromaticContact ND1-CE2 3.49Å; H438-Y492 WeakPolarHBondContact ND1-CE2 3.28Å; H438-Y492 AromaticContact ND1-CZ 3.63Å; H438-Y492 PolarHBondContact ND1-OH 2.79Å |
| 439 | W | 90.1 | Very high | 85.5 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.6 | -71.5 | 2.7 | 0 | 0 | 0 | 111.6 | A303 L405 L435 L436 A441 C442 I443 | A303-W439 PolarHBondContact O-NE1 2.94Å; L405-W439 HydrophobicContact CD1-CH2 4.21Å; L405-W439 HydrophobicContact CD1-CZ2 3.95Å; L405-W439 HydrophobicContact CD2-CZ2 4.05Å; L435-W439 HydrophobicContact CD1-CZ2 4.44Å; L435-W439 HydrophobicContact CD2-CZ2 3.97Å; L435-W439 HydrophobicContact CG-CZ2 4.12Å; L435-W439 PolarHBondContact O-N 3.24Å; L436-W439 PolarHBondContact O-N 2.94Å; W439-A441 VanDerWaalsContact C-N 3.31Å; W439-A441 PolarHBondContact O-N 3.46Å; W439-C442 PolarHBondContact O-N 2.83Å; W439-I443 VanDerWaalsContact O-CG1 3.32Å; W439-I443 WeakPolarHBondContact O-CG1 3.44Å; W439-I443 PolarHBondContact O-N 2.91Å |
| 440 | L | 89.1 | Confident | 85.7 | Confident | 67 Ų | 67 | 43 Ų | 43 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.3 | -68.8 | 170.6 | 0 | 0 | 0 | 111.9 | L436 H438 I443 W444 T499 I503 | L436-L440 HydrophobicContact CD1-CD1 4.23Å; L436-L440 HydrophobicContact CD1-CG 4.42Å; L436-L440 HydrophobicContact CG-CD1 4.15Å; L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.4Å; H438-L440 PolarHBondContact O-N 3.48Å; L440-I443 PolarHBondContact O-N 3.3Å; L440-W444 WeakPolarHBondContact O-CB 3.36Å; L440-W444 PolarHBondContact O-N 3.33Å; L440-T499 HydrophobicContact CB-CG2 3.81Å; L440-I503 HydrophobicContact CD1-CD1 3.83Å; L440-I503 HydrophobicContact CD1-CG1 4.17Å |
| 441 | A | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A437 H438 W439 Y445 S495 L496 T499 | A437-A441 VanDerWaalsContact O-CB 3.31Å; A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.14Å; H438-A441 WeakPolarHBondContact O-CB 3.44Å; H438-A441 PolarHBondContact O-N 3.1Å; H438-A441 VanDerWaalsContact O-N 3.15Å; W439-A441 VanDerWaalsContact C-N 3.31Å; W439-A441 PolarHBondContact O-N 3.46Å; A441-Y445 PolarHBondContact O-N 3.48Å; A441-Y445 VanDerWaalsContact O-N 3.09Å; A441-S495 WeakPolarHBondContact O-CB 3.37Å; A441-S495 PolarHBondContact O-OG 3.02Å; A441-L496 HydrophobicContact CB-CB 4.01Å; A441-L496 HydrophobicContact CB-CD1 4.02Å; A441-T499 HydrophobicContact CB-CG2 4.47Å |
| 442 | C | 90.4 | Very high | 85.5 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | P307 A311 H438 W439 S446 | P307-C442 HydrophobicContact CB-CB 4.09Å; A311-C442 HydrophobicContact CB-CB 3.89Å; A311-C442 WeakPolarHBondContact CB-O 3.22Å; H438-C442 VanDerWaalsContact CE1-SG 3.58Å; H438-C442 PolarHBondContact O-N 3.42Å; H438-C442 PolarHBondContact O-SG 3.43Å; H438-C442 VanDerWaalsContact O-SG 3.38Å; W439-C442 PolarHBondContact O-N 2.83Å; C442-S446 PolarHBondContact O-N 2.98Å |
| 443 | I | 88 | Confident | 85.2 | Confident | 100 Ų | 100 | 43.3 Ų | 43.3 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.3 | -68.2 | 163.9 | 0 | 0 | 0 | 110.8 | W439 L440 Y445 S446 V447 | W439-I443 VanDerWaalsContact O-CG1 3.32Å; W439-I443 WeakPolarHBondContact O-CG1 3.44Å; W439-I443 PolarHBondContact O-N 2.91Å; L440-I443 PolarHBondContact O-N 3.3Å; I443-Y445 VanDerWaalsContact C-N 3.29Å; I443-Y445 PolarHBondContact O-N 3.14Å; I443-S446 WeakPolarHBondContact O-CB 3.32Å; I443-S446 PolarHBondContact O-N 3.23Å; I443-S446 VanDerWaalsContact O-N 3.11Å; I443-V447 HydrophobicContact CG2-CG2 4.47Å; I443-V447 WeakPolarHBondContact O-CG2 3.35Å; I443-V447 PolarHBondContact O-N 3.11Å |
| 444 | W | 87.8 | Confident | 85 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -35 | 179.7 | -176.4 | -118.9 | 0 | 0 | 0 | 113 | L440 G448 W460 F498 T499 V511 A513 | L440-W444 WeakPolarHBondContact O-CB 3.36Å; L440-W444 PolarHBondContact O-N 3.33Å; W444-G448 PolarHBondContact O-N 3.14Å; W444-G448 VanDerWaalsContact O-N 3.15Å; W444-W460 AromaticContact CD1-CE2 3.76Å; W444-W460 AromaticContact CD1-CZ2 3.91Å; W444-W460 AromaticContact CD1-NE1 3.77Å; W444-W460 AromaticContact CD2-NE1 3.85Å; W444-W460 AromaticContact CE2-CD1 3.35Å; W444-W460 AromaticContact CE2-CG 3.78Å; W444-W460 AromaticContact CE2-NE1 3.46Å; W444-W460 AromaticContact CH2-CD1 3.86Å; W444-W460 HydrophobicContact CH2-CG 4.47Å; W444-W460 HydrophobicContact CZ2-CB 3.82Å; W444-W460 AromaticContact CZ2-CD1 3.25Å; W444-W460 HydrophobicContact CZ2-CD2 4.42Å; W444-W460 AromaticContact CZ2-CG 3.59Å; W444-W460 HydrophobicContact CZ2-CG 3.59Å; W444-W460 AromaticContact CZ2-NE1 3.9Å; W444-W460 AromaticContact NE1-CD1 3.62Å; W444-W460 AromaticContact NE1-CD2 3.66Å; W444-W460 AromaticContact NE1-CE2 3.47Å; W444-W460 AromaticContact NE1-CG 3.76Å; W444-W460 AromaticContact NE1-NE1 3.41Å; W444-W460 PolarHBondContact O-NE1 3.29Å; W444-F498 AromaticContact CD1-CD1 3.56Å; W444-F498 AromaticContact CD2-CD1 3.91Å; W444-F498 HydrophobicContact CD2-CD1 3.91Å; W444-F498 AromaticContact CD2-CE1 3.92Å; W444-F498 HydrophobicContact CD2-CE1 3.92Å; W444-F498 AromaticContact CE2-CD1 3.64Å; W444-F498 AromaticContact CE2-CE1 3.78Å; W444-F498 HydrophobicContact CE3-CE1 4.36Å; W444-F498 AromaticContact CG-CD1 3.88Å; W444-F498 HydrophobicContact CG-CD1 3.88Å; W444-F498 HydrophobicContact CG-CE1 4.3Å; W444-F498 HydrophobicContact CZ2-CD1 4.31Å; W444-F498 HydrophobicContact CZ2-CE1 4.13Å; W444-F498 AromaticContact NE1-CD1 3.4Å; W444-F498 AromaticContact NE1-CG 3.95Å; W444-T499 HydrophobicContact CB-CG2 4.41Å; W444-V511 HydrophobicContact CZ2-CG1 4.31Å; W444-A513 HydrophobicContact CE3-CB 4.47Å; W444-A513 HydrophobicContact CH2-CB 3.42Å; W444-A513 VanDerWaalsContact CH2-CB 3.42Å; W444-A513 HydrophobicContact CZ2-CB 4.09Å; W444-A513 HydrophobicContact CZ3-CB 3.64Å |
| 445 | Y | 87.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.7 | -45.6 | 170.3 | -174.8 | -100.7 | 0 | 0 | 0 | 112.9 | A311 F312 A441 I443 V447 G448 Q449 W460 I461 T491 | A311-Y445 HydrophobicContact CB-CD1 4.31Å; A311-Y445 WeakPolarHBondContact O-CD1 3.36Å; A311-Y445 VanDerWaalsContact O-CE1 3.27Å; A311-Y445 WeakPolarHBondContact O-CE1 3.49Å; F312-Y445 AromaticContact CD1-CD1 3.71Å; F312-Y445 HydrophobicContact CD1-CD1 3.71Å; F312-Y445 HydrophobicContact CD1-CD2 4.27Å; F312-Y445 AromaticContact CD1-CE1 3.73Å; F312-Y445 HydrophobicContact CD1-CE1 3.73Å; F312-Y445 HydrophobicContact CD1-CE2 4.29Å; F312-Y445 AromaticContact CD1-CG 3.99Å; F312-Y445 HydrophobicContact CD1-CG 3.99Å; F312-Y445 HydrophobicContact CD2-CD1 4.49Å; F312-Y445 AromaticContact CE1-CD1 3.57Å; F312-Y445 HydrophobicContact CE1-CD1 3.57Å; F312-Y445 AromaticContact CE1-CD2 3.54Å; F312-Y445 HydrophobicContact CE1-CD2 3.54Å; F312-Y445 AromaticContact CE1-CE1 3.95Å; F312-Y445 HydrophobicContact CE1-CE1 3.95Å; F312-Y445 AromaticContact CE1-CE2 3.93Å; F312-Y445 HydrophobicContact CE1-CE2 3.93Å; F312-Y445 AromaticContact CE1-CG 3.34Å; F312-Y445 HydrophobicContact CE1-CG 3.34Å; F312-Y445 HydrophobicContact CE2-CD1 4.36Å; F312-Y445 HydrophobicContact CE2-CG 4.35Å; F312-Y445 HydrophobicContact CG-CD1 4.19Å; F312-Y445 HydrophobicContact CG-CE1 4.33Å; F312-Y445 AromaticContact CZ-CD1 3.9Å; F312-Y445 HydrophobicContact CZ-CD1 3.9Å; F312-Y445 HydrophobicContact CZ-CD2 4.08Å; F312-Y445 AromaticContact CZ-CG 3.55Å; F312-Y445 HydrophobicContact CZ-CG 3.55Å; A441-Y445 PolarHBondContact O-N 3.48Å; A441-Y445 VanDerWaalsContact O-N 3.09Å; I443-Y445 VanDerWaalsContact C-N 3.29Å; I443-Y445 PolarHBondContact O-N 3.14Å; Y445-V447 VanDerWaalsContact C-N 3.29Å; Y445-V447 PolarHBondContact O-N 3.36Å; Y445-G448 PolarHBondContact O-N 3.01Å; Y445-Q449 HydrophobicContact CE1-CB 4.44Å; Y445-Q449 WeakPolarHBondContact O-CB 3.35Å; Y445-Q449 PolarHBondContact O-N 3.24Å; Y445-W460 HydrophobicContact CD2-CH2 4.26Å; Y445-W460 HydrophobicContact CD2-CZ2 4.08Å; Y445-I461 HydrophobicContact CD2-CD1 4.28Å; Y445-I461 HydrophobicContact CE2-CD1 4.03Å; Y445-T491 HydrophobicContact CE2-CG2 3.99Å |
| 446 | S | 84.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 176.8 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | C442 I443 T450 | C442-S446 PolarHBondContact O-N 2.98Å; I443-S446 WeakPolarHBondContact O-CB 3.32Å; I443-S446 PolarHBondContact O-N 3.23Å; I443-S446 VanDerWaalsContact O-N 3.11Å; S446-T450 WeakPolarHBondContact O-CB 3.33Å; S446-T450 PolarHBondContact O-N 3.42Å; S446-T450 PolarHBondContact O-OG1 3.43Å |
| 447 | V | 84.9 | Confident | 82.8 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -57 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I443 Y445 Q449 T450 D451 | I443-V447 HydrophobicContact CG2-CG2 4.47Å; I443-V447 WeakPolarHBondContact O-CG2 3.35Å; I443-V447 PolarHBondContact O-N 3.11Å; Y445-V447 VanDerWaalsContact C-N 3.29Å; Y445-V447 PolarHBondContact O-N 3.36Å; V447-Q449 VanDerWaalsContact C-N 3.27Å; V447-Q449 PolarHBondContact O-N 2.98Å; V447-T450 CarbonylContact O-C 3.56Å; V447-T450 WeakPolarHBondContact O-CA 3.48Å; V447-T450 WeakPolarHBondContact O-CB 3.46Å; V447-T450 PolarHBondContact O-N 3.44Å; V447-D451 PolarHBondContact O-N 3.02Å |
| 448 | G | 83.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -33.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | W444 Y445 T450 L452 | W444-G448 PolarHBondContact O-N 3.14Å; W444-G448 VanDerWaalsContact O-N 3.15Å; Y445-G448 PolarHBondContact O-N 3.01Å; G448-T450 VanDerWaalsContact C-N 3.33Å; G448-L452 WeakPolarHBondContact O-CB 3.36Å; G448-L452 PolarHBondContact O-N 3.25Å; G448-L452 VanDerWaalsContact O-N 3.12Å |
| 449 | Q | 79.7 | Confident | 81 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -23.9 | 174.5 | -177.6 | 59 | 92.5 | 0 | 0 | 112.8 | Y445 V447 K453 | Y445-Q449 HydrophobicContact CE1-CB 4.44Å; Y445-Q449 WeakPolarHBondContact O-CB 3.35Å; Y445-Q449 PolarHBondContact O-N 3.24Å; V447-Q449 VanDerWaalsContact C-N 3.27Å; V447-Q449 PolarHBondContact O-N 2.98Å; Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 VanDerWaalsContact O-CG 3.29Å; Q449-K453 WeakPolarHBondContact O-CG 3.07Å; Q449-K453 PolarHBondContact O-N 3.48Å |
| 450 | T | 81.1 | Confident | 80.6 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -81.1 | -41.7 | 173.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | S446 V447 G448 L452 K453 N454 | S446-T450 WeakPolarHBondContact O-CB 3.33Å; S446-T450 PolarHBondContact O-N 3.42Å; S446-T450 PolarHBondContact O-OG1 3.43Å; V447-T450 CarbonylContact O-C 3.56Å; V447-T450 WeakPolarHBondContact O-CA 3.48Å; V447-T450 WeakPolarHBondContact O-CB 3.46Å; V447-T450 PolarHBondContact O-N 3.44Å; G448-T450 VanDerWaalsContact C-N 3.33Å; T450-L452 VanDerWaalsContact C-N 3.31Å; T450-L452 PolarHBondContact O-N 3.18Å; T450-K453 PolarHBondContact O-N 3.48Å; T450-K453 VanDerWaalsContact O-N 3.11Å; T450-N454 VanDerWaalsContact O-CG 3.3Å; T450-N454 PolarHBondContact O-N 3.22Å; T450-N454 PolarHBondContact O-ND2 3.36Å |
| 451 | D | 82.5 | Confident | 80.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.4 | -47.7 | 172.3 | -66.4 | -25 | 0 | 0 | 0 | 110.8 | V447 K453 N454 G455 I456 | V447-D451 PolarHBondContact O-N 3.02Å; D451-K453 PolarHBondContact O-N 3Å; D451-N454 CarbonylContact O-C 3.6Å; D451-N454 PolarHBondContact O-N 3.31Å; D451-N454 VanDerWaalsContact O-N 3.08Å; D451-G455 PolarHBondContact O-N 3Å; D451-I456 HydrophobicContact CB-CB 4.07Å; D451-I456 HydrophobicContact CB-CD1 4.5Å; D451-I456 HydrophobicContact CB-CG2 4.42Å; D451-I456 VanDerWaalsContact O-CB 3.3Å; D451-I456 WeakPolarHBondContact O-CB 3.48Å; D451-I456 PolarHBondContact O-N 3.46Å |
| 452 | L | 75.1 | Confident | 79.5 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 175 | 178.7 | 57.3 | 0 | 0 | 0 | 112.4 | G448 T450 N454 G455 F474 P484 | G448-L452 WeakPolarHBondContact O-CB 3.36Å; G448-L452 PolarHBondContact O-N 3.25Å; G448-L452 VanDerWaalsContact O-N 3.12Å; T450-L452 VanDerWaalsContact C-N 3.31Å; T450-L452 PolarHBondContact O-N 3.18Å; L452-N454 PolarHBondContact O-N 3.03Å; L452-G455 PolarHBondContact O-N 3.17Å; L452-G455 VanDerWaalsContact O-N 3.11Å; L452-F474 HydrophobicContact CD1-CE2 3.83Å; L452-F474 HydrophobicContact CD1-CZ 3.65Å; L452-F474 HydrophobicContact CD2-CE2 4.42Å; L452-P484 HydrophobicContact CD2-CB 4.18Å; L452-P484 HydrophobicContact CD2-CG 4.18Å |
| 453 | K | 75.1 | Confident | 78.8 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.7 | -24.9 | 176.2 | -74.9 | 168.7 | -177.3 | 172.9 | 0 | 113.5 | Q449 T450 D451 G455 | Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 VanDerWaalsContact O-CG 3.29Å; Q449-K453 WeakPolarHBondContact O-CG 3.07Å; Q449-K453 PolarHBondContact O-N 3.48Å; T450-K453 PolarHBondContact O-N 3.48Å; T450-K453 VanDerWaalsContact O-N 3.11Å; D451-K453 PolarHBondContact O-N 3Å; K453-G455 VanDerWaalsContact C-N 3.29Å |
| 454 | N | 78.1 | Confident | 78.4 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4 | 175 | -66.6 | -22.3 | 0 | 0 | 0 | 112.9 | T450 D451 L452 I456 | T450-N454 VanDerWaalsContact O-CG 3.3Å; T450-N454 PolarHBondContact O-N 3.22Å; T450-N454 PolarHBondContact O-ND2 3.36Å; D451-N454 CarbonylContact O-C 3.6Å; D451-N454 PolarHBondContact O-N 3.31Å; D451-N454 VanDerWaalsContact O-N 3.08Å; L452-N454 PolarHBondContact O-N 3.03Å; N454-I456 HydrophobicContact CB-CD1 4.13Å; N454-I456 HydrophobicContact CB-CG1 4.11Å |
| 455 | G | 70.8 | Confident | 77.8 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 21.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D451 L452 K453 Y457 | D451-G455 PolarHBondContact O-N 3Å; L452-G455 PolarHBondContact O-N 3.17Å; L452-G455 VanDerWaalsContact O-N 3.11Å; K453-G455 VanDerWaalsContact C-N 3.29Å; G455-Y457 WeakPolarHBondContact O-CD2 3.14Å; G455-Y457 WeakPolarHBondContact O-CE2 3.46Å; G455-Y457 PolarHBondContact O-N 3.43Å |
| 456 | I | 72 | Confident | 77.1 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | trans | -88.4 | 82.6 | -178.1 | -57.1 | 178.2 | 0 | 0 | 0 | 109.7 | D451 N454 Y458 G459 | D451-I456 HydrophobicContact CB-CB 4.07Å; D451-I456 HydrophobicContact CB-CD1 4.5Å; D451-I456 HydrophobicContact CB-CG2 4.42Å; D451-I456 VanDerWaalsContact O-CB 3.3Å; D451-I456 WeakPolarHBondContact O-CB 3.48Å; D451-I456 PolarHBondContact O-N 3.46Å; N454-I456 HydrophobicContact CB-CD1 4.13Å; N454-I456 HydrophobicContact CB-CG1 4.11Å; I456-Y458 HydrophobicContact CG2-CD1 3.94Å; I456-Y458 HydrophobicContact CG2-CD2 3.75Å; I456-Y458 HydrophobicContact CG2-CE1 3.68Å; I456-Y458 HydrophobicContact CG2-CE2 3.47Å; I456-Y458 VanDerWaalsContact CG2-CE2 3.47Å; I456-Y458 HydrophobicContact CG2-CG 3.97Å; I456-Y458 VanDerWaalsContact CG2-CZ 3.44Å; I456-Y458 PolarHBondContact O-N 3.12Å; I456-Y458 VanDerWaalsContact O-N 3.14Å; I456-G459 PolarHBondContact O-N 2.82Å | ||
| 457 | Y | 67.9 | Low | 76.7 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3.5 | -177.9 | -59.6 | -77.2 | 0 | 0 | 0 | 115.1 | G455 P462 F474 D478 | G455-Y457 WeakPolarHBondContact O-CD2 3.14Å; G455-Y457 WeakPolarHBondContact O-CE2 3.46Å; G455-Y457 PolarHBondContact O-N 3.43Å; Y457-P462 WeakPolarHBondContact O-CB 3.32Å; Y457-F474 AromaticContact CD1-CE1 3.87Å; Y457-F474 HydrophobicContact CD1-CE1 3.87Å; Y457-F474 AromaticContact CD1-CZ 3.98Å; Y457-F474 HydrophobicContact CD1-CZ 3.98Å; Y457-F474 AromaticContact CE1-CE1 4Å; Y457-F474 HydrophobicContact CE1-CE1 4Å; Y457-F474 AromaticContact CE1-CZ 3.99Å; Y457-F474 HydrophobicContact CE1-CZ 3.99Å; Y457-D478 PolarHBondContact OH-OD2 2.77Å |
| 458 | Y | 69.5 | Low | 76.3 | Confident | 203 Ų | 203 | 58.7 Ų | 58.7 | 80% | 0.796 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.8 | 171.7 | 60.1 | -102.5 | 0 | 0 | 0 | 113.9 | I456 | I456-Y458 HydrophobicContact CG2-CD1 3.94Å; I456-Y458 HydrophobicContact CG2-CD2 3.75Å; I456-Y458 HydrophobicContact CG2-CE1 3.68Å; I456-Y458 HydrophobicContact CG2-CE2 3.47Å; I456-Y458 VanDerWaalsContact CG2-CE2 3.47Å; I456-Y458 HydrophobicContact CG2-CG 3.97Å; I456-Y458 VanDerWaalsContact CG2-CZ 3.44Å; I456-Y458 PolarHBondContact O-N 3.12Å; I456-Y458 VanDerWaalsContact O-N 3.14Å |
| 459 | G | 74 | Confident | 75.5 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -65.9 | 166.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | I456 I461 P462 R463 | I456-G459 PolarHBondContact O-N 2.82Å; G459-I461 VanDerWaalsContact C-N 3.27Å; G459-I461 PolarHBondContact O-N 2.96Å; G459-P462 WeakPolarHBondContact O-CD 3.35Å; G459-R463 PolarHBondContact O-N 3.42Å |
| 460 | W | 82 | Confident | 74.8 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 8% | 0.076 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -27.7 | -177.2 | 77.7 | -99.2 | 0 | 0 | 0 | 113.7 | W444 Y445 L464 T494 V511 | W444-W460 AromaticContact CD1-CE2 3.76Å; W444-W460 AromaticContact CD1-CZ2 3.91Å; W444-W460 AromaticContact CD1-NE1 3.77Å; W444-W460 AromaticContact CD2-NE1 3.85Å; W444-W460 AromaticContact CE2-CD1 3.35Å; W444-W460 AromaticContact CE2-CG 3.78Å; W444-W460 AromaticContact CE2-NE1 3.46Å; W444-W460 AromaticContact CH2-CD1 3.86Å; W444-W460 HydrophobicContact CH2-CG 4.47Å; W444-W460 HydrophobicContact CZ2-CB 3.82Å; W444-W460 AromaticContact CZ2-CD1 3.25Å; W444-W460 HydrophobicContact CZ2-CD2 4.42Å; W444-W460 AromaticContact CZ2-CG 3.59Å; W444-W460 HydrophobicContact CZ2-CG 3.59Å; W444-W460 AromaticContact CZ2-NE1 3.9Å; W444-W460 AromaticContact NE1-CD1 3.62Å; W444-W460 AromaticContact NE1-CD2 3.66Å; W444-W460 AromaticContact NE1-CE2 3.47Å; W444-W460 AromaticContact NE1-CG 3.76Å; W444-W460 AromaticContact NE1-NE1 3.41Å; W444-W460 PolarHBondContact O-NE1 3.29Å; Y445-W460 HydrophobicContact CD2-CH2 4.26Å; Y445-W460 HydrophobicContact CD2-CZ2 4.08Å; W460-L464 HydrophobicContact CE3-CD2 4.48Å; W460-L464 HydrophobicContact CZ3-CD2 3.87Å; W460-L464 WeakPolarHBondContact O-CB 3.46Å; W460-L464 PolarHBondContact O-N 3.44Å; W460-T494 HydrophobicContact CZ3-CG2 4.06Å; W460-V511 HydrophobicContact CB-CG1 4.29Å; W460-V511 HydrophobicContact CE3-CG1 4.48Å |
| 461 | I | 79.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -56.2 | 176.8 | -63.5 | 179.8 | 0 | 0 | 0 | 110.4 | Y445 G459 R463 L464 L465 P484 | Y445-I461 HydrophobicContact CD2-CD1 4.28Å; Y445-I461 HydrophobicContact CE2-CD1 4.03Å; G459-I461 VanDerWaalsContact C-N 3.27Å; G459-I461 PolarHBondContact O-N 2.96Å; I461-R463 VanDerWaalsContact C-N 3.29Å; I461-R463 PolarHBondContact O-N 3.47Å; I461-L464 WeakPolarHBondContact O-CA 3.33Å; I461-L464 WeakPolarHBondContact O-CB 3.47Å; I461-L464 PolarHBondContact O-N 3.27Å; I461-L465 HydrophobicContact CG2-CD1 3.66Å; I461-L465 WeakPolarHBondContact O-CD1 3.33Å; I461-L465 PolarHBondContact O-N 3.16Å; I461-P484 HydrophobicContact CG2-CB 4.36Å; I461-P484 HydrophobicContact CG2-CG 4.39Å |
| 462 | P | 75.3 | Confident | 72.2 | Confident | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -49.2 | -43.1 | 170.9 | -31.7 | 34.6 | 0 | 0 | 0 | 114.8 | Y457 G459 L465 N466 | Y457-P462 WeakPolarHBondContact O-CB 3.32Å; G459-P462 WeakPolarHBondContact O-CD 3.35Å; P462-L465 PolarHBondContact O-N 3Å; P462-N466 PolarHBondContact O-N 3.21Å; P462-N466 VanDerWaalsContact O-N 3.09Å |
| 463 | R | 76.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 40% | 0.4 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.5 | 179.1 | 175.8 | 166.2 | -163.7 | -6.2 | 111.9 | G459 I461 L465 N466 D467 G509 N510 S512 | G459-R463 PolarHBondContact O-N 3.42Å; I461-R463 VanDerWaalsContact C-N 3.29Å; I461-R463 PolarHBondContact O-N 3.47Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.05Å; R463-N466 WeakPolarHBondContact O-CA 3.44Å; R463-N466 WeakPolarHBondContact O-CB 3.48Å; R463-N466 PolarHBondContact O-N 2.64Å; R463-N466 VanDerWaalsContact O-N 3.1Å; R463-D467 IonicContact NE-OD2 3.9Å; R463-D467 VanDerWaalsContact O-CG 3.25Å; R463-D467 PolarHBondContact O-N 2.99Å; R463-G509 PolarHBondContact NH2-O 2.92Å; R463-N510 VanDerWaalsContact CZ-O 3.29Å; R463-N510 PolarHBondContact NH2-O 3.49Å; R463-S512 PolarHBondContact NH1-OG 2.93Å |
| 464 | L | 79.7 | Confident | 70.4 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.9 | -179.5 | 63.3 | 0 | 0 | 0 | 112.2 | W460 I461 N466 D467 I468 L486 T494 | W460-L464 HydrophobicContact CE3-CD2 4.48Å; W460-L464 HydrophobicContact CZ3-CD2 3.87Å; W460-L464 WeakPolarHBondContact O-CB 3.46Å; W460-L464 PolarHBondContact O-N 3.44Å; I461-L464 WeakPolarHBondContact O-CA 3.33Å; I461-L464 WeakPolarHBondContact O-CB 3.47Å; I461-L464 PolarHBondContact O-N 3.27Å; L464-N466 VanDerWaalsContact C-N 3.26Å; L464-N466 PolarHBondContact O-N 3.29Å; L464-D467 PolarHBondContact O-N 2.97Å; L464-I468 HydrophobicContact CD1-CD1 3.75Å; L464-I468 HydrophobicContact CD1-CG1 4.22Å; L464-I468 HydrophobicContact CD2-CD1 4.5Å; L464-I468 HydrophobicContact CG-CD1 3.7Å; L464-I468 WeakPolarHBondContact O-CD1 3.15Å; L464-I468 WeakPolarHBondContact O-CG1 3.48Å; L464-I468 PolarHBondContact O-N 3.41Å; L464-L486 HydrophobicContact CD2-CD1 3.87Å; L464-L486 HydrophobicContact CG-CD1 4.24Å; L464-T494 HydrophobicContact CD1-CG2 4.22Å; L464-T494 HydrophobicContact CD2-CG2 3.93Å |
| 465 | L | 74.4 | Confident | 69.3 | Low | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.9 | -32.3 | 174.9 | -81.2 | 88.9 | 0 | 0 | 0 | 112.7 | I461 P462 R463 D469 Q470 F474 P485 L486 | I461-L465 HydrophobicContact CG2-CD1 3.66Å; I461-L465 WeakPolarHBondContact O-CD1 3.33Å; I461-L465 PolarHBondContact O-N 3.16Å; P462-L465 PolarHBondContact O-N 3Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.05Å; L465-D469 PolarHBondContact O-N 3.31Å; L465-Q470 PolarHBondContact O-N 2.67Å; L465-F474 HydrophobicContact CD2-CB 3.73Å; L465-F474 HydrophobicContact CD2-CD2 3.75Å; L465-F474 HydrophobicContact CD2-CG 4.02Å; L465-P485 HydrophobicContact CD2-CG 4.06Å; L465-L486 HydrophobicContact CD1-CD1 3.47Å; L465-L486 VanDerWaalsContact CD1-CD1 3.47Å; L465-L486 HydrophobicContact CD1-CD2 4.43Å; L465-L486 HydrophobicContact CD1-CG 3.75Å; L465-L486 HydrophobicContact CG-CD1 4.06Å; L465-L486 HydrophobicContact CG-CD2 4.11Å; L465-L486 HydrophobicContact CG-CG 3.9Å |
| 466 | N | 74.4 | Confident | 68.3 | Low | 105 Ų | 105 | 81.7 Ų | 81.7 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | 173.3 | -176.2 | 89.7 | 0 | 0 | 0 | 111.8 | P462 R463 L464 I468 D469 V471 | P462-N466 PolarHBondContact O-N 3.21Å; P462-N466 VanDerWaalsContact O-N 3.09Å; R463-N466 WeakPolarHBondContact O-CA 3.44Å; R463-N466 WeakPolarHBondContact O-CB 3.48Å; R463-N466 PolarHBondContact O-N 2.64Å; R463-N466 VanDerWaalsContact O-N 3.1Å; L464-N466 VanDerWaalsContact C-N 3.26Å; L464-N466 PolarHBondContact O-N 3.29Å; N466-I468 PolarHBondContact O-N 2.97Å; N466-I468 VanDerWaalsContact O-N 3.15Å; N466-D469 PolarHBondContact O-N 3.32Å; N466-D469 VanDerWaalsContact O-N 3.15Å; N466-V471 VanDerWaalsContact CA-CG2 3.43Å; N466-V471 HydrophobicContact CB-CG2 4Å |
| 467 | D | 76 | Confident | 67.3 | Low | 95 Ų | 95 | 83.6 Ų | 83.6 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.5 | -8.1 | -178.8 | -59.4 | -14.2 | 0 | 0 | 0 | 113.1 | R463 L464 | R463-D467 IonicContact NE-OD2 3.9Å; R463-D467 VanDerWaalsContact O-CG 3.25Å; R463-D467 PolarHBondContact O-N 2.99Å; L464-D467 PolarHBondContact O-N 2.97Å |
| 468 | I | 76 | Confident | 66.6 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 28% | 0.282 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 4.8 | 175.8 | -46.5 | 153.9 | 0 | 0 | 0 | 112.2 | L464 N466 Q470 L486 M490 | L464-I468 HydrophobicContact CD1-CD1 3.75Å; L464-I468 HydrophobicContact CD1-CG1 4.22Å; L464-I468 HydrophobicContact CD2-CD1 4.5Å; L464-I468 HydrophobicContact CG-CD1 3.7Å; L464-I468 WeakPolarHBondContact O-CD1 3.15Å; L464-I468 WeakPolarHBondContact O-CG1 3.48Å; L464-I468 PolarHBondContact O-N 3.41Å; N466-I468 PolarHBondContact O-N 2.97Å; N466-I468 VanDerWaalsContact O-N 3.15Å; I468-Q470 HydrophobicContact CB-CG 4.19Å; I468-Q470 HydrophobicContact CG2-CG 3.93Å; I468-Q470 PolarHBondContact O-N 2.94Å; I468-Q470 VanDerWaalsContact O-N 3.14Å; I468-L486 HydrophobicContact CD1-CD2 3.87Å; I468-M490 HydrophobicContact CD1-CE 3.35Å; I468-M490 HydrophobicContact CD1-SD 3.63Å; I468-M490 HydrophobicContact CG1-CE 3.78Å; I468-M490 HydrophobicContact CG2-CE 4.42Å |
| 469 | D | 65.8 | Low | 65.5 | Low | 137 Ų | 137 | 79.2 Ų | 79.2 | 73% | 0.733 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 24.6 | -174.3 | -161.5 | 26.4 | 0 | 0 | 0 | 114.7 | L465 N466 V471 | L465-D469 PolarHBondContact O-N 3.31Å; N466-D469 PolarHBondContact O-N 3.32Å; N466-D469 VanDerWaalsContact O-N 3.15Å; D469-V471 VanDerWaalsContact C-N 3.34Å |
| 470 | Q | 64.3 | Low | 64 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | trans | -88.1 | -0.2 | 179.7 | -73.8 | -73 | -36.6 | 0 | 0 | 113.3 | L465 I468 K472 Y473 | L465-Q470 PolarHBondContact O-N 2.67Å; I468-Q470 HydrophobicContact CB-CG 4.19Å; I468-Q470 HydrophobicContact CG2-CG 3.93Å; I468-Q470 PolarHBondContact O-N 2.94Å; I468-Q470 VanDerWaalsContact O-N 3.14Å; Q470-K472 PolarHBondContact O-N 3.49Å; Q470-K472 VanDerWaalsContact O-N 3.1Å; Q470-Y473 PolarHBondContact O-N 3.48Å | ||
| 471 | V | 57.6 | Low | 62.6 | Low | 44 Ų | 44 | 88.9 Ų | 88.9 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.7 | -32.7 | -175.5 | -169 | 0 | 0 | 0 | 0 | 113.1 | N466 D469 Y473 F474 L475 | N466-V471 VanDerWaalsContact CA-CG2 3.43Å; N466-V471 HydrophobicContact CB-CG2 4Å; D469-V471 VanDerWaalsContact C-N 3.34Å; V471-Y473 PolarHBondContact O-N 3.18Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.37Å; V471-F474 VanDerWaalsContact O-N 3.1Å; V471-L475 HydrophobicContact CG1-CD1 4.1Å; V471-L475 HydrophobicContact CG1-CG 4.33Å; V471-L475 PolarHBondContact O-N 3.07Å; V471-L475 VanDerWaalsContact O-N 3.14Å |
| 472 | K | 51.9 | Low | 61.4 | Low | 176 Ų | 176 | 93.5 Ų | 93.5 | 77% | 0.765 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.4 | -35.2 | 177.3 | -105 | 174.4 | 179.4 | 165.7 | 0 | 113.6 | Q470 | Q470-K472 PolarHBondContact O-N 3.49Å; Q470-K472 VanDerWaalsContact O-N 3.1Å |
| 473 | Y | 55.9 | Low | 60.5 | Low | 149 Ų | 149 | 98 Ų | 98 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -82.7 | -30.8 | 178 | -65.5 | -73.7 | 0 | 0 | 0 | 112.5 | Q470 V471 Y476 M477 | Q470-Y473 PolarHBondContact O-N 3.48Å; V471-Y473 PolarHBondContact O-N 3.18Å; Y473-Y476 PolarHBondContact O-N 2.91Å; Y473-M477 PolarHBondContact O-N 2.89Å |
| 474 | F | 56.1 | Low | 59.6 | Low | 20 Ų | 20 | 93.7 Ų | 93.7 | 9% | 0.088 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.7 | -53.8 | 177.4 | -176.4 | -99.4 | 0 | 0 | 0 | 111.5 | L452 Y457 L465 V471 Y476 M477 D478 | L452-F474 HydrophobicContact CD1-CE2 3.83Å; L452-F474 HydrophobicContact CD1-CZ 3.65Å; L452-F474 HydrophobicContact CD2-CE2 4.42Å; Y457-F474 AromaticContact CD1-CE1 3.87Å; Y457-F474 HydrophobicContact CD1-CE1 3.87Å; Y457-F474 AromaticContact CD1-CZ 3.98Å; Y457-F474 HydrophobicContact CD1-CZ 3.98Å; Y457-F474 AromaticContact CE1-CE1 4Å; Y457-F474 HydrophobicContact CE1-CE1 4Å; Y457-F474 AromaticContact CE1-CZ 3.99Å; Y457-F474 HydrophobicContact CE1-CZ 3.99Å; L465-F474 HydrophobicContact CD2-CB 3.73Å; L465-F474 HydrophobicContact CD2-CD2 3.75Å; L465-F474 HydrophobicContact CD2-CG 4.02Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.37Å; V471-F474 VanDerWaalsContact O-N 3.1Å; F474-Y476 PolarHBondContact O-N 3.47Å; F474-Y476 VanDerWaalsContact O-N 3.07Å; F474-M477 PolarHBondContact O-N 3.35Å; F474-M477 VanDerWaalsContact O-N 3.16Å; F474-D478 PolarHBondContact O-N 2.79Å |
| 475 | L | 54.9 | Low | 58.7 | Low | 132 Ų | 132 | 95.5 Ų | 95.5 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -16.6 | 179.8 | -71.8 | 171.4 | 0 | 0 | 0 | 114.3 | V471 | V471-L475 HydrophobicContact CG1-CD1 4.1Å; V471-L475 HydrophobicContact CG1-CG 4.33Å; V471-L475 PolarHBondContact O-N 3.07Å; V471-L475 VanDerWaalsContact O-N 3.14Å |
| 476 | Y | 50.8 | Low | 58.5 | Low | 191 Ų | 191 | 96.3 Ų | 96.3 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -94.5 | -16.8 | 180 | -160.6 | -93.7 | 0 | 0 | 0 | 113.6 | Y473 F474 | Y473-Y476 PolarHBondContact O-N 2.91Å; F474-Y476 PolarHBondContact O-N 3.47Å; F474-Y476 VanDerWaalsContact O-N 3.07Å |
| 477 | M | 51.5 | Low | 58.6 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -111.1 | -7.8 | -173.9 | -71.9 | -65.4 | 176.2 | 0 | 0 | 114.9 | Y473 F474 I479 L480 T481 | Y473-M477 PolarHBondContact O-N 2.89Å; F474-M477 PolarHBondContact O-N 3.35Å; F474-M477 VanDerWaalsContact O-N 3.16Å; M477-I479 PolarHBondContact O-N 3.27Å; M477-L480 PolarHBondContact O-N 2.67Å; M477-L480 VanDerWaalsContact O-N 3.14Å; M477-T481 PolarHBondContact O-N 3.11Å |
| 478 | D | 52.6 | Low | 58.7 | Low | 74 Ų | 74 | 95.3 Ų | 95.3 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 4.6 | -172.1 | -151.1 | 28.9 | 0 | 0 | 0 | 115.9 | Y457 F474 | Y457-D478 PolarHBondContact OH-OD2 2.77Å; F474-D478 PolarHBondContact O-N 2.79Å |
| 479 | I | 46 | Very low | 59 | Low | 162 Ų | 162 | 97.7 Ų | 97.7 | 83% | 0.831 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -20.3 | -178.7 | -62.3 | 177.6 | 0 | 0 | 0 | 112.4 | M477 | M477-I479 PolarHBondContact O-N 3.27Š|
| 480 | L | 43.6 | Very low | 59.9 | Low | 158 Ų | 158 | 94.4 Ų | 94.4 | 83% | 0.827 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | -27.2 | -167.5 | -84.8 | 147.4 | 0 | 0 | 0 | 115.4 | M477 | M477-L480 PolarHBondContact O-N 2.67Å; M477-L480 VanDerWaalsContact O-N 3.14Å |
| 481 | T | 52.1 | Low | 60.9 | Low | 73 Ų | 73 | 91.2 Ų | 91.2 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | trans | -136.6 | 111.5 | 177.7 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | M477 N483 | M477-T481 PolarHBondContact O-N 3.11Å; T481-N483 PolarHBondContact O-N 3.06Å | ||
| 482 | S | 54.1 | Low | 62.5 | Low | 97 Ų | 97 | 91.6 Ų | 91.6 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | trans | -75.8 | 28 | -178.5 | 49.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 483 | N | 56.2 | Low | 64.4 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -116.9 | 124.4 | 173.9 | -59.6 | -48.6 | 0 | 0 | 0 | 108.2 | T481 | T481-N483 PolarHBondContact O-N 3.06Š|
| 484 | P | 57.6 | Low | 65.9 | Low | 17 Ų | 17 | 81.4 Ų | 81.4 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | trans | -65.4 | 145.2 | 177 | 27.5 | -34 | 0 | 0 | 0 | 110.9 | L452 I461 L486 | L452-P484 HydrophobicContact CD2-CB 4.18Å; L452-P484 HydrophobicContact CD2-CG 4.18Å; I461-P484 HydrophobicContact CG2-CB 4.36Å; I461-P484 HydrophobicContact CG2-CG 4.39Å; P484-L486 PolarHBondContact O-N 3.02Å | ||
| 485 | P | 61.6 | Low | 67.5 | Low | 54 Ų | 54 | 80.4 Ų | 80.4 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -73.6 | 25.4 | -175.9 | 31 | -37.4 | 0 | 0 | 0 | 114.9 | L465 | L465-P485 HydrophobicContact CD2-CG 4.06Š|
| 486 | L | 69.6 | Low | 69.2 | Low | 20 Ų | 20 | 75.9 Ų | 75.9 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -90.1 | 142.1 | 176.4 | -73.2 | -177.8 | 0 | 0 | 0 | 111.9 | L464 L465 I468 P484 T491 | L464-L486 HydrophobicContact CD2-CD1 3.87Å; L464-L486 HydrophobicContact CG-CD1 4.24Å; L465-L486 HydrophobicContact CD1-CD1 3.47Å; L465-L486 VanDerWaalsContact CD1-CD1 3.47Å; L465-L486 HydrophobicContact CD1-CD2 4.43Å; L465-L486 HydrophobicContact CD1-CG 3.75Å; L465-L486 HydrophobicContact CG-CD1 4.06Å; L465-L486 HydrophobicContact CG-CD2 4.11Å; L465-L486 HydrophobicContact CG-CG 3.9Å; I468-L486 HydrophobicContact CD1-CD2 3.87Å; P484-L486 PolarHBondContact O-N 3.02Å; L486-T491 HydrophobicContact CB-CG2 3.74Å; L486-T491 HydrophobicContact CD1-CG2 3.7Å; L486-T491 HydrophobicContact CG-CG2 4.41Å |
| 487 | P | 76.9 | Confident | 71.1 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | trans | -67.8 | 135.9 | 174.1 | 27 | -32.2 | 0 | 0 | 0 | 111.5 | T489 M490 T491 | P487-T489 PolarHBondContact O-N 3.34Å; P487-M490 HydrophobicContact CG-CB 3.9Å; P487-M490 PolarHBondContact O-N 3.28Å; P487-T491 PolarHBondContact O-N 3.28Å | ||
| 488 | R | 77.9 | Confident | 72.8 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -50.4 | -35 | -177.5 | -60.5 | -175.2 | -65.7 | -159.9 | 1 | 113.9 | S314 T316 D318 T491 Y492 | S314-R488 PolarHBondContact OG-NH1 3.47Å; T316-R488 PolarHBondContact OG1-NH1 3.5Å; D318-R488 IonicContact OD2-CZ 3.17Å; D318-R488 IonicContact OD2-NH1 2.68Å; D318-R488 IonicContact OD2-NH2 3.68Å; D318-R488 PolarHBondContact OD2-NH2 3.07Å; R488-T491 PolarHBondContact O-OG1 3.1Å; R488-Y492 WeakPolarHBondContact O-CB 3.44Å; R488-Y492 PolarHBondContact O-N 3.09Å |
| 489 | T | 83.1 | Confident | 74.4 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 64% | 0.644 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | P487 V493 | P487-T489 PolarHBondContact O-N 3.34Å; T489-V493 WeakPolarHBondContact O-CB 3.5Å; T489-V493 VanDerWaalsContact O-CG2 3.25Å; T489-V493 WeakPolarHBondContact O-CG2 3.16Å; T489-V493 PolarHBondContact O-N 2.94Å |
| 490 | M | 84.6 | Confident | 76.3 | Confident | 67 Ų | 67 | 59 Ų | 59 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.1 | -45.5 | -178 | -169.6 | 172.9 | -159.4 | 0 | 0 | 111.4 | I468 P487 Y492 V493 T494 | I468-M490 HydrophobicContact CD1-CE 3.35Å; I468-M490 HydrophobicContact CD1-SD 3.63Å; I468-M490 HydrophobicContact CG1-CE 3.78Å; I468-M490 HydrophobicContact CG2-CE 4.42Å; P487-M490 HydrophobicContact CG-CB 3.9Å; P487-M490 PolarHBondContact O-N 3.28Å; M490-Y492 VanDerWaalsContact C-N 3.3Å; M490-Y492 PolarHBondContact O-N 2.99Å; M490-V493 PolarHBondContact O-N 2.97Å; M490-T494 WeakPolarHBondContact O-CB 3.46Å; M490-T494 PolarHBondContact O-N 3.21Å; M490-T494 PolarHBondContact O-OG1 3.37Å; M490-T494 VanDerWaalsContact O-OG1 3.06Å |
| 491 | T | 85.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | Y445 L486 P487 R488 S495 | Y445-T491 HydrophobicContact CE2-CG2 3.99Å; L486-T491 HydrophobicContact CB-CG2 3.74Å; L486-T491 HydrophobicContact CD1-CG2 3.7Å; L486-T491 HydrophobicContact CG-CG2 4.41Å; P487-T491 PolarHBondContact O-N 3.28Å; R488-T491 PolarHBondContact O-OG1 3.1Å; T491-S495 WeakPolarHBondContact O-CB 3.32Å; T491-S495 PolarHBondContact O-N 3.1Å; T491-S495 PolarHBondContact O-OG 3.29Å |
| 492 | Y | 90.8 | Very high | 79.6 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -49 | 172.8 | 174.5 | -108.6 | 0 | 0 | 0 | 113 | F308 F312 H438 R488 M490 T494 S495 L496 | F308-Y492 HydrophobicContact CD2-CD2 4.05Å; F308-Y492 HydrophobicContact CD2-CE2 4.18Å; F308-Y492 AromaticContact CE2-CD2 4Å; F308-Y492 HydrophobicContact CE2-CD2 4Å; F308-Y492 HydrophobicContact CE2-CE2 4.46Å; F308-Y492 HydrophobicContact CE2-CG 4.07Å; F312-Y492 HydrophobicContact CD2-CD2 4.46Å; F312-Y492 AromaticContact CE2-CD2 3.7Å; F312-Y492 HydrophobicContact CE2-CD2 3.7Å; F312-Y492 AromaticContact CZ-CD2 3.74Å; F312-Y492 HydrophobicContact CZ-CD2 3.74Å; F312-Y492 HydrophobicContact CZ-CG 4.3Å; H438-Y492 AromaticContact CE1-CE2 3.71Å; H438-Y492 AromaticContact ND1-CE2 3.49Å; H438-Y492 WeakPolarHBondContact ND1-CE2 3.28Å; H438-Y492 AromaticContact ND1-CZ 3.63Å; H438-Y492 PolarHBondContact ND1-OH 2.79Å; R488-Y492 WeakPolarHBondContact O-CB 3.44Å; R488-Y492 PolarHBondContact O-N 3.09Å; M490-Y492 VanDerWaalsContact C-N 3.3Å; M490-Y492 PolarHBondContact O-N 2.99Å; Y492-T494 VanDerWaalsContact C-N 3.33Å; Y492-T494 PolarHBondContact O-N 2.97Å; Y492-S495 PolarHBondContact O-N 3.46Å; Y492-S495 PolarHBondContact O-OG 3.32Å; Y492-L496 HydrophobicContact CE1-CD2 4.24Å; Y492-L496 WeakPolarHBondContact O-CB 3.26Å; Y492-L496 PolarHBondContact O-N 2.88Å |
| 493 | V | 90.7 | Very high | 80.9 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.6 | 168.9 | 0 | 0 | 0 | 0 | 111 | T489 M490 Y497 | T489-V493 WeakPolarHBondContact O-CB 3.5Å; T489-V493 VanDerWaalsContact O-CG2 3.25Å; T489-V493 WeakPolarHBondContact O-CG2 3.16Å; T489-V493 PolarHBondContact O-N 2.94Å; M490-V493 PolarHBondContact O-N 2.97Å; V493-Y497 WeakPolarHBondContact O-CB 3.42Å; V493-Y497 PolarHBondContact O-N 3.33Å |
| 494 | T | 88.5 | Confident | 82 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -39 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | W460 L464 M490 Y492 F498 V511 | W460-T494 HydrophobicContact CZ3-CG2 4.06Å; L464-T494 HydrophobicContact CD1-CG2 4.22Å; L464-T494 HydrophobicContact CD2-CG2 3.93Å; M490-T494 WeakPolarHBondContact O-CB 3.46Å; M490-T494 PolarHBondContact O-N 3.21Å; M490-T494 PolarHBondContact O-OG1 3.37Å; M490-T494 VanDerWaalsContact O-OG1 3.06Å; Y492-T494 VanDerWaalsContact C-N 3.33Å; Y492-T494 PolarHBondContact O-N 2.97Å; T494-F498 PolarHBondContact O-N 3.03Å; T494-V511 HydrophobicContact CG2-CG2 3.7Å |
| 495 | S | 89.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | 176.4 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | A441 T491 Y492 F498 T499 | A441-S495 WeakPolarHBondContact O-CB 3.37Å; A441-S495 PolarHBondContact O-OG 3.02Å; T491-S495 WeakPolarHBondContact O-CB 3.32Å; T491-S495 PolarHBondContact O-N 3.1Å; T491-S495 PolarHBondContact O-OG 3.29Å; Y492-S495 PolarHBondContact O-N 3.46Å; Y492-S495 PolarHBondContact O-OG 3.32Å; S495-F498 PolarHBondContact O-N 3.29Å; S495-T499 PolarHBondContact O-N 3.42Å; S495-T499 VanDerWaalsContact O-N 3.1Å; S495-T499 PolarHBondContact O-OG1 3.44Å |
| 496 | L | 90.6 | Very high | 84.1 | Confident | 37 Ų | 37 | 48 Ų | 48 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 174.5 | -175.9 | 65.7 | 0 | 0 | 0 | 112.5 | A437 A441 Y492 F498 T499 L500 | A437-L496 HydrophobicContact CB-CD1 4.3Å; A441-L496 HydrophobicContact CB-CB 4.01Å; A441-L496 HydrophobicContact CB-CD1 4.02Å; Y492-L496 HydrophobicContact CE1-CD2 4.24Å; Y492-L496 WeakPolarHBondContact O-CB 3.26Å; Y492-L496 PolarHBondContact O-N 2.88Å; L496-F498 VanDerWaalsContact C-N 3.31Å; L496-F498 PolarHBondContact O-N 3.45Å; L496-T499 PolarHBondContact O-N 3.22Å; L496-T499 PolarHBondContact O-OG1 2.94Å; L496-L500 HydrophobicContact CD1-CD1 4.24Å; L496-L500 HydrophobicContact CD1-CG 4.23Å; L496-L500 HydrophobicContact CD2-CD1 4.49Å; L496-L500 HydrophobicContact CG-CD1 3.89Å; L496-L500 HydrophobicContact CG-CG 4.32Å; L496-L500 VanDerWaalsContact O-CB 3.31Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 VanDerWaalsContact O-CG 3.31Å; L496-L500 WeakPolarHBondContact O-CG 3.46Å; L496-L500 PolarHBondContact O-N 3.4Å |
| 497 | Y | 90.2 | Very high | 84.3 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 172.2 | 163.4 | -102.4 | 0 | 0 | 0 | 111.2 | V493 S501 F508 N510 | V493-Y497 WeakPolarHBondContact O-CB 3.42Å; V493-Y497 PolarHBondContact O-N 3.33Å; Y497-S501 VanDerWaalsContact O-CB 3.26Å; Y497-S501 WeakPolarHBondContact O-CB 3.36Å; Y497-S501 PolarHBondContact O-N 3Å; Y497-S501 PolarHBondContact O-OG 2.91Å; Y497-F508 AromaticContact CE2-CD2 3.71Å; Y497-F508 HydrophobicContact CE2-CD2 3.71Å; Y497-F508 AromaticContact CE2-CE2 3.92Å; Y497-F508 HydrophobicContact CE2-CE2 3.92Å; Y497-F508 AromaticContact CZ-CD2 3.7Å; Y497-F508 VanDerWaalsContact OH-CB 3.23Å; Y497-F508 WeakPolarHBondContact OH-CB 3.34Å; Y497-F508 VanDerWaalsContact OH-CD2 3.24Å; Y497-F508 WeakPolarHBondContact OH-CD2 3.44Å; Y497-F508 WeakPolarHBondContact OH-CG 3.44Å; Y497-N510 HydrophobicContact CE1-CB 4.29Å; Y497-N510 PolarHBondContact OH-ND2 3.05Å; Y497-N510 VanDerWaalsContact OH-ND2 3.16Å |
| 498 | F | 86.5 | Confident | 84.3 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 176.3 | 174.6 | -111.7 | 0 | 0 | 0 | 112 | W444 T494 S495 L496 S501 L502 V511 A513 | W444-F498 AromaticContact CD1-CD1 3.56Å; W444-F498 AromaticContact CD2-CD1 3.91Å; W444-F498 HydrophobicContact CD2-CD1 3.91Å; W444-F498 AromaticContact CD2-CE1 3.92Å; W444-F498 HydrophobicContact CD2-CE1 3.92Å; W444-F498 AromaticContact CE2-CD1 3.64Å; W444-F498 AromaticContact CE2-CE1 3.78Å; W444-F498 HydrophobicContact CE3-CE1 4.36Å; W444-F498 AromaticContact CG-CD1 3.88Å; W444-F498 HydrophobicContact CG-CD1 3.88Å; W444-F498 HydrophobicContact CG-CE1 4.3Å; W444-F498 HydrophobicContact CZ2-CD1 4.31Å; W444-F498 HydrophobicContact CZ2-CE1 4.13Å; W444-F498 AromaticContact NE1-CD1 3.4Å; W444-F498 AromaticContact NE1-CG 3.95Å; T494-F498 PolarHBondContact O-N 3.03Å; S495-F498 PolarHBondContact O-N 3.29Å; L496-F498 VanDerWaalsContact C-N 3.31Å; L496-F498 PolarHBondContact O-N 3.45Å; F498-S501 PolarHBondContact O-N 3.44Å; F498-L502 HydrophobicContact CE1-CD2 4.42Å; F498-L502 HydrophobicContact CZ-CD1 4.49Å; F498-L502 HydrophobicContact CZ-CD2 4.26Å; F498-L502 WeakPolarHBondContact O-CB 3.5Å; F498-L502 PolarHBondContact O-N 3.15Å; F498-V511 HydrophobicContact CB-CB 4.22Å; F498-V511 HydrophobicContact CB-CG1 4.05Å; F498-V511 HydrophobicContact CD2-CB 4.07Å; F498-V511 HydrophobicContact CD2-CG1 3.92Å; F498-V511 WeakPolarHBondContact CD2-O 3.42Å; F498-V511 WeakPolarHBondContact CE2-O 3.34Å; F498-V511 HydrophobicContact CG-CB 4.33Å; F498-V511 HydrophobicContact CG-CG1 3.9Å; F498-A513 HydrophobicContact CE1-CB 3.87Å; F498-A513 HydrophobicContact CE2-CB 4.5Å; F498-A513 HydrophobicContact CZ-CB 3.49Å; F498-A513 VanDerWaalsContact CZ-CB 3.49Å |
| 499 | T | 87.6 | Confident | 84.1 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.5 | -36.5 | -176.9 | 59.4 | 0 | 0 | 0 | 0 | 113 | A437 L440 A441 W444 S495 L496 L502 I503 | A437-T499 PolarHBondContact O-OG1 2.93Å; L440-T499 HydrophobicContact CB-CG2 3.81Å; A441-T499 HydrophobicContact CB-CG2 4.47Å; W444-T499 HydrophobicContact CB-CG2 4.41Å; S495-T499 PolarHBondContact O-N 3.42Å; S495-T499 VanDerWaalsContact O-N 3.1Å; S495-T499 PolarHBondContact O-OG1 3.44Å; L496-T499 PolarHBondContact O-N 3.22Å; L496-T499 PolarHBondContact O-OG1 2.94Å; T499-L502 PolarHBondContact O-N 3.39Å; T499-I503 WeakPolarHBondContact O-CD1 3.29Å; T499-I503 VanDerWaalsContact O-CG1 3.22Å; T499-I503 WeakPolarHBondContact O-CG1 3.44Å; T499-I503 PolarHBondContact O-N 3.27Å |
| 500 | L | 86.1 | Confident | 83.5 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 170 | -74.6 | 171.1 | 0 | 0 | 0 | 110.9 | F433 A437 L496 L502 I503 T504 | F433-L500 HydrophobicContact CE1-CD2 4.18Å; A437-L500 HydrophobicContact CB-CD2 3.56Å; A437-L500 HydrophobicContact CB-CG 4.1Å; L496-L500 HydrophobicContact CD1-CD1 4.24Å; L496-L500 HydrophobicContact CD1-CG 4.23Å; L496-L500 HydrophobicContact CD2-CD1 4.49Å; L496-L500 HydrophobicContact CG-CD1 3.89Å; L496-L500 HydrophobicContact CG-CG 4.32Å; L496-L500 VanDerWaalsContact O-CB 3.31Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 VanDerWaalsContact O-CG 3.31Å; L496-L500 WeakPolarHBondContact O-CG 3.46Å; L496-L500 PolarHBondContact O-N 3.4Å; L500-L502 PolarHBondContact O-N 2.9Å; L500-I503 PolarHBondContact O-N 3.3Å; L500-T504 WeakPolarHBondContact O-CB 3.5Å; L500-T504 VanDerWaalsContact O-CG2 3.3Å; L500-T504 WeakPolarHBondContact O-CG2 3.32Å; L500-T504 PolarHBondContact O-N 3.15Å; L500-T504 PolarHBondContact O-OG1 2.86Å |
| 501 | S | 83.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -30.2 | 177.2 | -58 | 0 | 0 | 0 | 0 | 112.9 | Y497 F498 T504 S505 I506 G507 F508 | Y497-S501 VanDerWaalsContact O-CB 3.26Å; Y497-S501 WeakPolarHBondContact O-CB 3.36Å; Y497-S501 PolarHBondContact O-N 3Å; Y497-S501 PolarHBondContact O-OG 2.91Å; F498-S501 PolarHBondContact O-N 3.44Å; S501-T504 PolarHBondContact O-OG1 3.32Å; S501-S505 PolarHBondContact O-N 3.03Å; S501-I506 PolarHBondContact O-N 2.84Å; S501-G507 PolarHBondContact O-N 2.96Å; S501-F508 WeakPolarHBondContact OG-CD2 3.47Å |
| 502 | L | 81.1 | Confident | 81.5 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -76.2 | -50.4 | 178.3 | -167.3 | 68.2 | 0 | 0 | 0 | 112.2 | F498 T499 L500 T504 S505 F516 | F498-L502 HydrophobicContact CE1-CD2 4.42Å; F498-L502 HydrophobicContact CZ-CD1 4.49Å; F498-L502 HydrophobicContact CZ-CD2 4.26Å; F498-L502 WeakPolarHBondContact O-CB 3.5Å; F498-L502 PolarHBondContact O-N 3.15Å; T499-L502 PolarHBondContact O-N 3.39Å; L500-L502 PolarHBondContact O-N 2.9Å; L502-T504 VanDerWaalsContact C-N 3.34Å; L502-T504 PolarHBondContact O-N 3.06Å; L502-S505 PolarHBondContact O-N 3.44Å; L502-F516 WeakPolarHBondContact CD1-O 3.42Å |
| 503 | I | 80 | Confident | 80 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.9 | -26.9 | -175.6 | -44.6 | 150.7 | 0 | 0 | 0 | 111.1 | F433 A437 L440 T499 L500 S505 | F433-I503 HydrophobicContact CD2-CG2 4.27Å; F433-I503 HydrophobicContact CE2-CB 4Å; F433-I503 HydrophobicContact CE2-CG2 3.6Å; F433-I503 HydrophobicContact CZ-CB 4.5Å; A437-I503 HydrophobicContact CB-CD1 3.75Å; L440-I503 HydrophobicContact CD1-CD1 3.83Å; L440-I503 HydrophobicContact CD1-CG1 4.17Å; T499-I503 WeakPolarHBondContact O-CD1 3.29Å; T499-I503 VanDerWaalsContact O-CG1 3.22Å; T499-I503 WeakPolarHBondContact O-CG1 3.44Å; T499-I503 PolarHBondContact O-N 3.27Å; L500-I503 PolarHBondContact O-N 3.3Å; I503-S505 VanDerWaalsContact C-N 3.26Å |
| 504 | T | 81 | Confident | 78.3 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.6 | 168.7 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | F433 L500 S501 L502 I506 F1326 | F433-T504 HydrophobicContact CZ-CG2 3.91Å; L500-T504 WeakPolarHBondContact O-CB 3.5Å; L500-T504 VanDerWaalsContact O-CG2 3.3Å; L500-T504 WeakPolarHBondContact O-CG2 3.32Å; L500-T504 PolarHBondContact O-N 3.15Å; L500-T504 PolarHBondContact O-OG1 2.86Å; S501-T504 PolarHBondContact O-OG1 3.32Å; L502-T504 VanDerWaalsContact C-N 3.34Å; L502-T504 PolarHBondContact O-N 3.06Å; T504-I506 PolarHBondContact O-N 2.9Å; T504-I506 WeakPolarHBondContact OG1-CD1 3.49Å; T504-I506 WeakPolarHBondContact OG1-CG1 3.45Å; T504-F1326 HydrophobicContact CG2-CE1 4.16Å |
| 505 | S | 80 | Confident | 76.2 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 69% | 0.692 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 15.2 | -175.7 | 64.4 | 0 | 0 | 0 | 0 | 116.6 | S501 L502 I503 | S501-S505 PolarHBondContact O-N 3.03Å; L502-S505 PolarHBondContact O-N 3.44Å; I503-S505 VanDerWaalsContact C-N 3.26Å |
| 506 | I | 81.7 | Confident | 74.2 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | -75.2 | -37.4 | 179.6 | -59.6 | 171.4 | 0 | 0 | 0 | 111.7 | S501 T504 F508 M1327 | S501-I506 PolarHBondContact O-N 2.84Å; T504-I506 PolarHBondContact O-N 2.9Å; T504-I506 WeakPolarHBondContact OG1-CD1 3.49Å; T504-I506 WeakPolarHBondContact OG1-CG1 3.45Å; I506-F508 HydrophobicContact CG2-CD1 4.24Å; I506-F508 HydrophobicContact CG2-CD2 4.01Å; I506-F508 HydrophobicContact CG2-CE1 3.9Å; I506-F508 HydrophobicContact CG2-CE2 3.64Å; I506-F508 HydrophobicContact CG2-CG 4.3Å; I506-F508 HydrophobicContact CG2-CZ 3.59Å; I506-F508 PolarHBondContact O-N 3.12Å; I506-M1327 HydrophobicContact CD1-CE 3.77Å; I506-M1327 HydrophobicContact CG2-CE 4.26Å | ||
| 507 | G | 74.3 | Confident | 72.2 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | trans | 59.5 | 37.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118 | S501 G509 | S501-G507 PolarHBondContact O-N 2.96Å; G507-G509 PolarHBondContact O-N 3.31Å | ||
| 508 | F | 77.9 | Confident | 70.4 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 45% | 0.447 | 40% | 0.397 | S | S | . | . | trans | -48.2 | -16.5 | -173.1 | -66 | -75.4 | 0 | 0 | 0 | 118.6 | Y497 S501 I506 N510 M1327 | Y497-F508 AromaticContact CE2-CD2 3.71Å; Y497-F508 HydrophobicContact CE2-CD2 3.71Å; Y497-F508 AromaticContact CE2-CE2 3.92Å; Y497-F508 HydrophobicContact CE2-CE2 3.92Å; Y497-F508 AromaticContact CZ-CD2 3.7Å; Y497-F508 VanDerWaalsContact OH-CB 3.23Å; Y497-F508 WeakPolarHBondContact OH-CB 3.34Å; Y497-F508 VanDerWaalsContact OH-CD2 3.24Å; Y497-F508 WeakPolarHBondContact OH-CD2 3.44Å; Y497-F508 WeakPolarHBondContact OH-CG 3.44Å; S501-F508 WeakPolarHBondContact OG-CD2 3.47Å; I506-F508 HydrophobicContact CG2-CD1 4.24Å; I506-F508 HydrophobicContact CG2-CD2 4.01Å; I506-F508 HydrophobicContact CG2-CE1 3.9Å; I506-F508 HydrophobicContact CG2-CE2 3.64Å; I506-F508 HydrophobicContact CG2-CG 4.3Å; I506-F508 HydrophobicContact CG2-CZ 3.59Å; I506-F508 PolarHBondContact O-N 3.12Å; F508-N510 VanDerWaalsContact C-N 3.26Å; F508-N510 PolarHBondContact O-N 2.89Å; F508-N510 VanDerWaalsContact O-N 3.12Å; F508-M1327 HydrophobicContact CZ-CE 3.78Å | ||
| 509 | G | 71.8 | Confident | 69 | Low | 38 Ų | 38 | 68.1 Ų | 68.1 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 79.4 | -14.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | R463 G507 V511 | R463-G509 PolarHBondContact NH2-O 2.92Å; G507-G509 PolarHBondContact O-N 3.31Å; G509-V511 PolarHBondContact O-N 2.79Å |
| 510 | N | 70.6 | Confident | 68 | Low | 98 Ų | 98 | 72.9 Ų | 72.9 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -52.4 | -43.4 | 173.3 | -67.2 | -13.7 | 0 | 0 | 0 | 111.9 | R463 Y497 F508 | R463-N510 VanDerWaalsContact CZ-O 3.29Å; R463-N510 PolarHBondContact NH2-O 3.49Å; Y497-N510 HydrophobicContact CE1-CB 4.29Å; Y497-N510 PolarHBondContact OH-ND2 3.05Å; Y497-N510 VanDerWaalsContact OH-ND2 3.16Å; F508-N510 VanDerWaalsContact C-N 3.26Å; F508-N510 PolarHBondContact O-N 2.89Å; F508-N510 VanDerWaalsContact O-N 3.12Å |
| 511 | V | 65.8 | Low | 67.2 | Low | 19 Ų | 19 | 74 Ų | 74 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -122.3 | 137.2 | 164.1 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | W444 W460 T494 F498 G509 | W444-V511 HydrophobicContact CZ2-CG1 4.31Å; W460-V511 HydrophobicContact CB-CG1 4.29Å; W460-V511 HydrophobicContact CE3-CG1 4.48Å; T494-V511 HydrophobicContact CG2-CG2 3.7Å; F498-V511 HydrophobicContact CB-CB 4.22Å; F498-V511 HydrophobicContact CB-CG1 4.05Å; F498-V511 HydrophobicContact CD2-CB 4.07Å; F498-V511 HydrophobicContact CD2-CG1 3.92Å; F498-V511 WeakPolarHBondContact CD2-O 3.42Å; F498-V511 WeakPolarHBondContact CE2-O 3.34Å; F498-V511 HydrophobicContact CG-CB 4.33Å; F498-V511 HydrophobicContact CG-CG1 3.9Å; G509-V511 PolarHBondContact O-N 2.79Å |
| 512 | S | 62.5 | Low | 66.6 | Low | 64 Ų | 64 | 76.4 Ų | 76.4 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | trans | -147.1 | 109.6 | -168.7 | 58 | 0 | 0 | 0 | 0 | 112.1 | R463 | R463-S512 PolarHBondContact NH1-OG 2.93Š| ||
| 513 | A | 60.2 | Low | 66 | Low | 28 Ų | 28 | 75.2 Ų | 75.2 | 23% | 0.231 | 46% | 0.455 | C | S | . | . | trans | -85.4 | 145.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W444 F498 | W444-A513 HydrophobicContact CE3-CB 4.47Å; W444-A513 HydrophobicContact CH2-CB 3.42Å; W444-A513 VanDerWaalsContact CH2-CB 3.42Å; W444-A513 HydrophobicContact CZ2-CB 4.09Å; W444-A513 HydrophobicContact CZ3-CB 3.64Å; F498-A513 HydrophobicContact CE1-CB 3.87Å; F498-A513 HydrophobicContact CE2-CB 4.5Å; F498-A513 HydrophobicContact CZ-CB 3.49Å; F498-A513 VanDerWaalsContact CZ-CB 3.49Å | ||
| 514 | T | 53.4 | Low | 65.7 | Low | 140 Ų | 140 | 80 Ų | 80 | 86% | 0.859 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -91.9 | 5.3 | -173 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 515 | T | 44.6 | Very low | 65.6 | Low | 94 Ų | 94 | 80.5 Ų | 80.5 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -136.2 | -6.5 | -152.5 | 42.2 | 0 | 0 | 0 | 0 | 119.4 | ||
| 516 | F | 48.7 | Very low | 65.4 | Low | 158 Ų | 158 | 79.2 Ų | 79.2 | 69% | 0.693 | 47% | 0.47 | S | S | * | . | trans | -140.5 | 133.4 | -174.1 | -62 | -74.2 | 0 | 0 | 0 | 114.5 | L502 | L502-F516 WeakPolarHBondContact CD1-O 3.42Š| ||
| 517 | A | 49.2 | Very low | 65.2 | Low | 80 Ų | 80 | 77.2 Ų | 77.2 | 66% | 0.661 | 46% | 0.462 | S | S | * | . | trans | -155.2 | 84.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 518 | F | 51.5 | Low | 65.5 | Low | 181 Ų | 181 | 77.1 Ų | 77.1 | 79% | 0.794 | 45% | 0.451 | S | S | * | . | trans | -147.3 | 138.8 | 171.7 | -74.6 | -84.1 | 0 | 0 | 0 | 110.3 | ||||
| 519 | G | 56.4 | Low | 65.6 | Low | 35 Ų | 35 | 76.6 Ų | 76.6 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | trans | 158.2 | -33.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 520 | Y | 66.6 | Low | 65.9 | Low | 104 Ų | 104 | 76 Ų | 76 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.2 | -36.6 | -165.6 | -170.1 | -99.3 | 0 | 0 | 0 | 115.7 | T522 I523 F524 | Y520-T522 PolarHBondContact O-N 3Å; Y520-I523 PolarHBondContact O-N 3.14Å; Y520-F524 HydrophobicContact CD1-CB 4.12Å; Y520-F524 HydrophobicContact CE1-CB 3.72Å; Y520-F524 AromaticContact CE1-CD2 3.75Å; Y520-F524 HydrophobicContact CE1-CD2 3.75Å; Y520-F524 AromaticContact CE1-CG 3.94Å; Y520-F524 HydrophobicContact CE1-CG 3.94Å; Y520-F524 AromaticContact CZ-CD2 3.97Å; Y520-F524 PolarHBondContact O-N 3.31Å; Y520-F524 WeakPolarHBondContact OH-CD2 3.3Å |
| 521 | A | 70.9 | Confident | 66.3 | Low | 84 Ų | 84 | 74.3 Ų | 74.3 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -37 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G525 | A521-G525 PolarHBondContact O-N 2.8Å |
| 522 | T | 69.9 | Low | 67.2 | Low | 60 Ų | 60 | 79.7 Ų | 79.7 | 37% | 0.368 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 179 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | Y520 N526 | Y520-T522 PolarHBondContact O-N 3Å; T522-N526 WeakPolarHBondContact O-CB 3.23Å; T522-N526 VanDerWaalsContact O-CG 3.25Å; T522-N526 PolarHBondContact O-N 3.33Å; T522-N526 PolarHBondContact O-ND2 2.96Å |
| 523 | I | 69.5 | Low | 67.9 | Low | 35 Ų | 35 | 78 Ų | 78 | 18% | 0.179 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.5 | -49.8 | 177.1 | -62.3 | 170.3 | 0 | 0 | 0 | 109.3 | M429 F433 Y520 G525 N526 V527 | M429-I523 HydrophobicContact CE-CG2 4.35Å; M429-I523 HydrophobicContact CG-CG2 4.29Å; M429-I523 HydrophobicContact SD-CG2 4.01Å; F433-I523 HydrophobicContact CB-CD1 4.05Å; F433-I523 HydrophobicContact CD2-CD1 3.43Å; F433-I523 VanDerWaalsContact CD2-CD1 3.43Å; F433-I523 HydrophobicContact CE2-CD1 4.26Å; F433-I523 HydrophobicContact CG-CD1 4.12Å; Y520-I523 PolarHBondContact O-N 3.14Å; I523-G525 VanDerWaalsContact C-N 3.32Å; I523-G525 PolarHBondContact O-N 3.16Å; I523-N526 PolarHBondContact O-N 2.96Å; I523-N526 VanDerWaalsContact O-N 3.17Å; I523-V527 HydrophobicContact CG2-CG2 4.26Å; I523-V527 WeakPolarHBondContact O-CB 3.42Å; I523-V527 VanDerWaalsContact O-CG2 3.29Å; I523-V527 WeakPolarHBondContact O-CG2 3.31Å; I523-V527 PolarHBondContact O-N 3.01Å |
| 524 | F | 74.2 | Confident | 68.6 | Low | 113 Ų | 113 | 81.5 Ų | 81.5 | 50% | 0.496 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 179.5 | -165.4 | -94.3 | 0 | 0 | 0 | 112.9 | Y520 T528 | Y520-F524 HydrophobicContact CD1-CB 4.12Å; Y520-F524 HydrophobicContact CE1-CB 3.72Å; Y520-F524 AromaticContact CE1-CD2 3.75Å; Y520-F524 HydrophobicContact CE1-CD2 3.75Å; Y520-F524 AromaticContact CE1-CG 3.94Å; Y520-F524 HydrophobicContact CE1-CG 3.94Å; Y520-F524 AromaticContact CZ-CD2 3.97Å; Y520-F524 PolarHBondContact O-N 3.31Å; Y520-F524 WeakPolarHBondContact OH-CD2 3.3Å; F524-T528 WeakPolarHBondContact O-CB 3.26Å; F524-T528 PolarHBondContact O-N 2.78Å; F524-T528 PolarHBondContact O-OG1 3.37Å |
| 525 | G | 78.2 | Confident | 69.9 | Low | 33 Ų | 33 | 80.4 Ų | 80.4 | 34% | 0.34 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A521 I523 T528 T529 | A521-G525 PolarHBondContact O-N 2.8Å; I523-G525 VanDerWaalsContact C-N 3.32Å; I523-G525 PolarHBondContact O-N 3.16Å; G525-T528 PolarHBondContact O-N 3.44Å; G525-T529 WeakPolarHBondContact O-CB 3.34Å; G525-T529 PolarHBondContact O-N 3.43Å; G525-T529 PolarHBondContact O-OG1 2.87Å |
| 526 | N | 74.9 | Confident | 71.8 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 176.4 | -72.6 | -13.2 | 0 | 0 | 0 | 112 | M429 T522 I523 T528 T529 I530 | M429-N526 HydrophobicContact CE-CB 4.48Å; M429-N526 HydrophobicContact SD-CB 3.49Å; M429-N526 WeakPolarHBondContact SD-CB 3.49Å; T522-N526 WeakPolarHBondContact O-CB 3.23Å; T522-N526 VanDerWaalsContact O-CG 3.25Å; T522-N526 PolarHBondContact O-N 3.33Å; T522-N526 PolarHBondContact O-ND2 2.96Å; I523-N526 PolarHBondContact O-N 2.96Å; I523-N526 VanDerWaalsContact O-N 3.17Å; N526-T528 VanDerWaalsContact C-N 3.32Å; N526-T528 PolarHBondContact O-N 3.05Å; N526-T529 PolarHBondContact O-N 2.87Å; N526-I530 WeakPolarHBondContact O-CG1 3.24Å; N526-I530 PolarHBondContact O-N 3.15Å |
| 527 | V | 77.5 | Confident | 73.3 | Confident | 34 Ų | 34 | 72.4 Ų | 72.4 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -52.8 | -51 | 171.4 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L426 M429 I523 T529 I530 F531 | L426-V527 HydrophobicContact CD1-CG2 4.42Å; M429-V527 HydrophobicContact CE-CB 4.34Å; M429-V527 HydrophobicContact CE-CG2 3.31Å; M429-V527 HydrophobicContact SD-CG2 4.43Å; I523-V527 HydrophobicContact CG2-CG2 4.26Å; I523-V527 WeakPolarHBondContact O-CB 3.42Å; I523-V527 VanDerWaalsContact O-CG2 3.29Å; I523-V527 WeakPolarHBondContact O-CG2 3.31Å; I523-V527 PolarHBondContact O-N 3.01Å; V527-T529 VanDerWaalsContact C-N 3.33Å; V527-T529 PolarHBondContact O-N 3.25Å; V527-I530 PolarHBondContact O-N 3.17Å; V527-F531 HydrophobicContact CG1-CD2 3.61Å; V527-F531 HydrophobicContact CG1-CE2 3.55Å; V527-F531 WeakPolarHBondContact O-CD2 3.3Å; V527-F531 PolarHBondContact O-N 3.13Å |
| 528 | T | 81.4 | Confident | 74.8 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | F524 G525 N526 F531 Q532 | F524-T528 WeakPolarHBondContact O-CB 3.26Å; F524-T528 PolarHBondContact O-N 2.78Å; F524-T528 PolarHBondContact O-OG1 3.37Å; G525-T528 PolarHBondContact O-N 3.44Å; N526-T528 VanDerWaalsContact C-N 3.32Å; N526-T528 PolarHBondContact O-N 3.05Å; T528-F531 PolarHBondContact O-N 3.34Å; T528-Q532 WeakPolarHBondContact O-CB 3.35Å; T528-Q532 WeakPolarHBondContact O-CG 3.38Å; T528-Q532 PolarHBondContact O-N 3.09Å |
| 529 | T | 80.2 | Confident | 76.6 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | G525 N526 V527 Q532 G533 | G525-T529 WeakPolarHBondContact O-CB 3.34Å; G525-T529 PolarHBondContact O-N 3.43Å; G525-T529 PolarHBondContact O-OG1 2.87Å; N526-T529 PolarHBondContact O-N 2.87Å; V527-T529 VanDerWaalsContact C-N 3.33Å; V527-T529 PolarHBondContact O-N 3.25Å; T529-Q532 PolarHBondContact O-N 3.15Å; T529-G533 PolarHBondContact O-N 3.49Å |
| 530 | I | 77.8 | Confident | 78.1 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.2 | -68.8 | 165.1 | 0 | 0 | 0 | 110.6 | M422 L426 M429 N526 V527 G533 M534 | M422-I530 HydrophobicContact CB-CG2 4.3Å; L426-I530 HydrophobicContact CB-CD1 4.41Å; M429-I530 HydrophobicContact CE-CD1 4.27Å; N526-I530 WeakPolarHBondContact O-CG1 3.24Å; N526-I530 PolarHBondContact O-N 3.15Å; V527-I530 PolarHBondContact O-N 3.17Å; I530-G533 PolarHBondContact O-N 3.11Å; I530-M534 WeakPolarHBondContact O-CB 3.44Å; I530-M534 PolarHBondContact O-N 3.16Å |
| 531 | F | 79.7 | Confident | 79.2 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.9 | -81.8 | -62.6 | 0 | 0 | 0 | 112.6 | V527 T528 G533 M534 Y535 F1322 | V527-F531 HydrophobicContact CG1-CD2 3.61Å; V527-F531 HydrophobicContact CG1-CE2 3.55Å; V527-F531 WeakPolarHBondContact O-CD2 3.3Å; V527-F531 PolarHBondContact O-N 3.13Å; T528-F531 PolarHBondContact O-N 3.34Å; F531-G533 VanDerWaalsContact C-N 3.32Å; F531-G533 PolarHBondContact O-N 3.03Å; F531-M534 HydrophobicContact CD1-CE 3.8Å; F531-M534 HydrophobicContact CE1-CE 4.01Å; F531-M534 PolarHBondContact O-N 2.97Å; F531-Y535 HydrophobicContact CD1-CD2 4.47Å; F531-Y535 AromaticContact CD1-CE2 3.9Å; F531-Y535 HydrophobicContact CD1-CE2 3.9Å; F531-Y535 VanDerWaalsContact O-CD2 3.28Å; F531-Y535 WeakPolarHBondContact O-CD2 3.47Å; F531-Y535 PolarHBondContact O-N 3.38Å; F531-F1322 HydrophobicContact CE1-CZ 4.32Å; F531-F1322 HydrophobicContact CZ-CE1 4.1Å; F531-F1322 HydrophobicContact CZ-CZ 4.09Å |
| 532 | Q | 83.8 | Confident | 80.2 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 174.4 | -74.8 | 176.1 | 0.2 | 0 | 0 | 111.7 | T528 T529 A536 | T528-Q532 WeakPolarHBondContact O-CB 3.35Å; T528-Q532 WeakPolarHBondContact O-CG 3.38Å; T528-Q532 PolarHBondContact O-N 3.09Å; T529-Q532 PolarHBondContact O-N 3.15Å; Q532-A536 PolarHBondContact O-N 2.84Å; Q532-A536 VanDerWaalsContact O-N 3.13Å |
| 533 | G | 78.6 | Confident | 81.3 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T529 I530 F531 A536 | T529-G533 PolarHBondContact O-N 3.49Å; I530-G533 PolarHBondContact O-N 3.11Å; F531-G533 VanDerWaalsContact C-N 3.32Å; F531-G533 PolarHBondContact O-N 3.03Å; G533-A536 WeakPolarHBondContact O-CB 3.27Å; G533-A536 PolarHBondContact O-N 2.79Å |
| 534 | M | 73.8 | Confident | 82.4 | Confident | 101 Ų | 101 | 72.5 Ų | 72.5 | 50% | 0.498 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | -179 | -172 | 179 | 78.9 | 0 | 0 | 112.8 | M422 I530 F531 | M422-M534 HydrophobicContact SD-CB 4.36Å; I530-M534 WeakPolarHBondContact O-CB 3.44Å; I530-M534 PolarHBondContact O-N 3.16Å; F531-M534 HydrophobicContact CD1-CE 3.8Å; F531-M534 HydrophobicContact CE1-CE 4.01Å; F531-M534 PolarHBondContact O-N 2.97Å |
| 535 | Y | 81.4 | Confident | 83.3 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -85.8 | -8.9 | -179.6 | -72.4 | -65.6 | 0 | 0 | 0 | 114.5 | F531 T537 R538 S539 | F531-Y535 HydrophobicContact CD1-CD2 4.47Å; F531-Y535 AromaticContact CD1-CE2 3.9Å; F531-Y535 HydrophobicContact CD1-CE2 3.9Å; F531-Y535 VanDerWaalsContact O-CD2 3.28Å; F531-Y535 WeakPolarHBondContact O-CD2 3.47Å; F531-Y535 PolarHBondContact O-N 3.38Å; Y535-T537 VanDerWaalsContact C-N 3.35Å; Y535-T537 PolarHBondContact O-N 2.91Å; Y535-R538 PolarHBondContact O-N 3.14Å; Y535-S539 PolarHBondContact O-N 3.43Å |
| 536 | A | 84.2 | Confident | 84.1 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52 | -43.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q532 G533 S539 R540 | Q532-A536 PolarHBondContact O-N 2.84Å; Q532-A536 VanDerWaalsContact O-N 3.13Å; G533-A536 WeakPolarHBondContact O-CB 3.27Å; G533-A536 PolarHBondContact O-N 2.79Å; A536-S539 PolarHBondContact O-N 2.62Å; A536-R540 WeakPolarHBondContact O-CG 3.31Å; A536-R540 PolarHBondContact O-N 3.15Å |
| 537 | T | 80 | Confident | 85 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | Y535 Y541 W573 | Y535-T537 VanDerWaalsContact C-N 3.35Å; Y535-T537 PolarHBondContact O-N 2.91Å; T537-Y541 PolarHBondContact O-N 3.03Å; T537-W573 HydrophobicContact CG2-CZ2 4.09Å |
| 538 | R | 81.4 | Confident | 85.9 | Confident | 166 Ų | 166 | 66.6 Ų | 66.6 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.9 | -35.6 | 176.2 | 176.9 | 166.1 | -79.1 | 167.9 | -3.8 | 111.8 | Y535 R540 Y541 H542 | Y535-R538 PolarHBondContact O-N 3.14Å; R538-R540 PolarHBondContact O-N 3.38Å; R538-Y541 WeakPolarHBondContact O-CB 3.3Å; R538-Y541 PolarHBondContact O-N 2.84Å; R538-H542 WeakPolarHBondContact CG-NE2 3.39Å; R538-H542 PolarHBondContact O-CD2 3.43Å; R538-H542 PolarHBondContact O-N 3.12Å |
| 539 | S | 87.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -52.6 | -56 | 170.8 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | Y535 A536 Y541 H542 D543 | Y535-S539 PolarHBondContact O-N 3.43Å; A536-S539 PolarHBondContact O-N 2.62Å; S539-Y541 VanDerWaalsContact C-N 3.26Å; S539-Y541 PolarHBondContact O-N 2.88Å; S539-Y541 VanDerWaalsContact O-N 3.15Å; S539-H542 CarbonylContact O-C 3.57Å; S539-H542 WeakPolarHBondContact O-CA 3.29Å; S539-H542 WeakPolarHBondContact O-CB 3.46Å; S539-H542 PolarHBondContact O-N 2.92Å; S539-D543 PolarHBondContact O-N 2.87Å; S539-D543 PolarHBondContact OG-OD2 2.81Å |
| 540 | R | 88.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.4 | -36.6 | -177.7 | -69.3 | 167.8 | -174.4 | 176.7 | -5.4 | 114.1 | A536 R538 D543 M544 W573 M1258 N1259 | A536-R540 WeakPolarHBondContact O-CG 3.31Å; A536-R540 PolarHBondContact O-N 3.15Å; R538-R540 PolarHBondContact O-N 3.38Å; R540-D543 PolarHBondContact N-OD2 3.43Å; R540-M544 WeakPolarHBondContact O-CB 3.34Å; R540-M544 PolarHBondContact O-N 2.97Å; R540-W573 HydrophobicContact CB-CH2 4.39Å; R540-M1258 PolarHBondContact NH2-O 2.99Å; R540-N1259 PolarHBondContact NH1-OD1 2.73Å |
| 541 | Y | 90.6 | Very high | 88.1 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 172.3 | 175.9 | -112.3 | 0 | 0 | 0 | 111.4 | T537 R538 S539 M544 M545 T570 W573 | T537-Y541 PolarHBondContact O-N 3.03Å; R538-Y541 WeakPolarHBondContact O-CB 3.3Å; R538-Y541 PolarHBondContact O-N 2.84Å; S539-Y541 VanDerWaalsContact C-N 3.26Å; S539-Y541 PolarHBondContact O-N 2.88Å; S539-Y541 VanDerWaalsContact O-N 3.15Å; Y541-M544 HydrophobicContact CD2-CE 4.12Å; Y541-M545 HydrophobicContact CE2-CE 4.22Å; Y541-M545 WeakPolarHBondContact O-CB 3.4Å; Y541-M545 PolarHBondContact O-N 3.43Å; Y541-T570 PolarHBondContact OH-OG1 2.59Å; Y541-W573 HydrophobicContact CD2-CB 4.05Å; Y541-W573 AromaticContact CD2-CD1 3.52Å; Y541-W573 AromaticContact CD2-CD2 3.53Å; Y541-W573 HydrophobicContact CD2-CD2 3.53Å; Y541-W573 AromaticContact CD2-CE2 3.75Å; Y541-W573 HydrophobicContact CD2-CE3 4.16Å; Y541-W573 AromaticContact CD2-CG 3.42Å; Y541-W573 HydrophobicContact CD2-CG 3.42Å; Y541-W573 VanDerWaalsContact CD2-CG 3.42Å; Y541-W573 AromaticContact CD2-NE1 3.72Å; Y541-W573 HydrophobicContact CE2-CB 3.95Å; Y541-W573 AromaticContact CE2-CD1 3.9Å; Y541-W573 HydrophobicContact CE2-CD2 4.34Å; Y541-W573 AromaticContact CE2-CG 3.78Å; Y541-W573 HydrophobicContact CE2-CG 3.78Å; Y541-W573 HydrophobicContact CG-CD2 4.27Å; Y541-W573 HydrophobicContact CG-CG 4.35Å; Y541-W573 AromaticContact CG-NE1 3.91Å |
| 542 | H | 92.2 | Very high | 88.8 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 177.8 | -65.1 | -61.3 | 0 | 0 | 0 | 112.8 | R538 S539 M545 A546 | R538-H542 WeakPolarHBondContact CG-NE2 3.39Å; R538-H542 PolarHBondContact O-CD2 3.43Å; R538-H542 PolarHBondContact O-N 3.12Å; S539-H542 CarbonylContact O-C 3.57Å; S539-H542 WeakPolarHBondContact O-CA 3.29Å; S539-H542 WeakPolarHBondContact O-CB 3.46Å; S539-H542 PolarHBondContact O-N 2.92Å; H542-M545 PolarHBondContact O-N 3Å; H542-A546 WeakPolarHBondContact O-CB 3.23Å; H542-A546 PolarHBondContact O-N 3.16Å |
| 543 | D | 92.6 | Very high | 89.3 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.9 | -59.5 | -44.9 | 0 | 0 | 0 | 110.9 | S539 R540 S547 W876 | S539-D543 PolarHBondContact O-N 2.87Å; S539-D543 PolarHBondContact OG-OD2 2.81Å; R540-D543 PolarHBondContact N-OD2 3.43Å; D543-S547 WeakPolarHBondContact O-CB 3.38Å; D543-S547 PolarHBondContact O-N 3.36Å; D543-S547 VanDerWaalsContact O-N 3.12Å; D543-S547 PolarHBondContact O-OG 3.48Å; D543-W876 HydrophobicContact CB-CH2 4.3Å; D543-W876 HydrophobicContact CB-CZ3 4.34Å |
| 544 | M | 91.4 | Very high | 90.1 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 30% | 0.3 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.5 | -48.5 | 173.9 | -178.5 | -172.6 | 67.5 | 0 | 0 | 111.5 | R540 Y541 A546 S547 V548 V569 W573 | R540-M544 WeakPolarHBondContact O-CB 3.34Å; R540-M544 PolarHBondContact O-N 2.97Å; Y541-M544 HydrophobicContact CD2-CE 4.12Å; M544-A546 PolarHBondContact O-N 3.5Å; M544-S547 WeakPolarHBondContact O-CB 3.47Å; M544-S547 PolarHBondContact O-N 2.95Å; M544-S547 VanDerWaalsContact O-N 3.14Å; M544-V548 WeakPolarHBondContact O-CG2 3.48Å; M544-V548 PolarHBondContact O-N 2.87Å; M544-V569 HydrophobicContact CE-CG1 3.61Å; M544-W573 HydrophobicContact CE-CD2 4.35Å; M544-W573 HydrophobicContact CE-CE3 3.58Å; M544-W573 HydrophobicContact CE-CZ3 4.05Å; M544-W573 HydrophobicContact SD-CE3 4.42Å; M544-W573 HydrophobicContact SD-CZ3 4.47Å |
| 545 | M | 93.5 | Very high | 91.1 | Very high | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.059 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | -178.9 | 178.9 | 56.8 | 71.1 | 0 | 0 | 112.2 | Y541 H542 V548 K549 I566 V569 T570 | Y541-M545 HydrophobicContact CE2-CE 4.22Å; Y541-M545 WeakPolarHBondContact O-CB 3.4Å; Y541-M545 PolarHBondContact O-N 3.43Å; H542-M545 PolarHBondContact O-N 3Å; M545-V548 PolarHBondContact O-N 3.45Å; M545-K549 HydrophobicContact CG-CD 4.35Å; M545-K549 WeakPolarHBondContact O-CB 3.38Å; M545-K549 VanDerWaalsContact O-CG 3.31Å; M545-K549 WeakPolarHBondContact O-CG 3.22Å; M545-K549 PolarHBondContact O-N 3.32Å; M545-K549 HydrophobicContact SD-CD 4.3Å; M545-K549 HydrophobicContact SD-CG 4.31Å; M545-I566 HydrophobicContact CE-CG2 4.31Å; M545-I566 HydrophobicContact SD-CG1 4.46Å; M545-I566 HydrophobicContact SD-CG2 4.32Å; M545-V569 HydrophobicContact CE-CB 4.25Å; M545-V569 HydrophobicContact CE-CG1 3.77Å; M545-T570 WeakPolarHBondContact CE-OG1 3.39Å |
| 546 | A | 94.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 74.5 Ų | 74.5 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | H542 M544 V548 K549 D550 | H542-A546 WeakPolarHBondContact O-CB 3.23Å; H542-A546 PolarHBondContact O-N 3.16Å; M544-A546 PolarHBondContact O-N 3.5Å; A546-V548 PolarHBondContact O-N 2.97Å; A546-K549 PolarHBondContact O-N 3.48Å; A546-K549 VanDerWaalsContact O-N 3.16Å; A546-D550 WeakPolarHBondContact O-CB 3.31Å; A546-D550 PolarHBondContact O-N 2.96Å |
| 547 | S | 95.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | D543 M544 F551 W876 | D543-S547 WeakPolarHBondContact O-CB 3.38Å; D543-S547 PolarHBondContact O-N 3.36Å; D543-S547 VanDerWaalsContact O-N 3.12Å; D543-S547 PolarHBondContact O-OG 3.48Å; M544-S547 WeakPolarHBondContact O-CB 3.47Å; M544-S547 PolarHBondContact O-N 2.95Å; M544-S547 VanDerWaalsContact O-N 3.14Å; S547-F551 VanDerWaalsContact O-CB 3.31Å; S547-F551 WeakPolarHBondContact O-CB 3.48Å; S547-F551 PolarHBondContact O-N 3.1Å; S547-W876 WeakPolarHBondContact OG-CH2 3.41Å; S547-W876 WeakPolarHBondContact OG-CZ2 3.2Å |
| 548 | V | 95 | Very high | 92.9 | Very high | 24 Ų | 24 | 76.1 Ų | 76.1 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 171.9 | 169 | 0 | 0 | 0 | 0 | 111 | M544 M545 A546 F551 I552 V565 V569 | M544-V548 WeakPolarHBondContact O-CG2 3.48Å; M544-V548 PolarHBondContact O-N 2.87Å; M545-V548 PolarHBondContact O-N 3.45Å; A546-V548 PolarHBondContact O-N 2.97Å; V548-F551 PolarHBondContact O-N 3.41Å; V548-I552 HydrophobicContact CG1-CD1 3.9Å; V548-I552 WeakPolarHBondContact O-CB 3.35Å; V548-I552 VanDerWaalsContact O-CG1 3.31Å; V548-I552 WeakPolarHBondContact O-CG1 3.3Å; V548-I552 PolarHBondContact O-N 2.96Å; V548-V565 HydrophobicContact CG1-CG1 3.88Å; V548-V569 HydrophobicContact CG2-CG2 4.43Å |
| 549 | K | 95.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 75.7 Ų | 75.7 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 177 | -74.2 | 176.2 | 177.6 | -175.7 | 0 | 112.6 | M545 A546 I552 K553 I566 | M545-K549 HydrophobicContact CG-CD 4.35Å; M545-K549 WeakPolarHBondContact O-CB 3.38Å; M545-K549 VanDerWaalsContact O-CG 3.31Å; M545-K549 WeakPolarHBondContact O-CG 3.22Å; M545-K549 PolarHBondContact O-N 3.32Å; M545-K549 HydrophobicContact SD-CD 4.3Å; M545-K549 HydrophobicContact SD-CG 4.31Å; A546-K549 PolarHBondContact O-N 3.48Å; A546-K549 VanDerWaalsContact O-N 3.16Å; K549-I552 PolarHBondContact O-N 3.24Å; K549-K553 VanDerWaalsContact O-CB 3.24Å; K549-K553 WeakPolarHBondContact O-CB 3.19Å; K549-K553 PolarHBondContact O-N 3Å; K549-I566 HydrophobicContact CG-CD1 4.31Å |
| 550 | D | 95.2 | Very high | 93.6 | Very high | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 174.2 | -81.4 | -21.9 | 0 | 0 | 0 | 111.7 | A546 T554 | A546-D550 WeakPolarHBondContact O-CB 3.31Å; A546-D550 PolarHBondContact O-N 2.96Å; D550-T554 WeakPolarHBondContact O-CB 3.37Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 3.45Å |
| 551 | F | 95.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 79.7 Ų | 79.7 | 27% | 0.272 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -52.6 | 170.4 | 177.1 | -90.6 | 0 | 0 | 0 | 111.5 | S547 V548 K553 T554 H555 I872 | S547-F551 VanDerWaalsContact O-CB 3.31Å; S547-F551 WeakPolarHBondContact O-CB 3.48Å; S547-F551 PolarHBondContact O-N 3.1Å; V548-F551 PolarHBondContact O-N 3.41Å; F551-K553 VanDerWaalsContact C-N 3.26Å; F551-K553 PolarHBondContact O-N 3.4Å; F551-T554 PolarHBondContact O-N 2.9Å; F551-T554 VanDerWaalsContact O-N 3.16Å; F551-H555 AromaticContact CD2-CD2 3.43Å; F551-H555 VanDerWaalsContact CD2-CD2 3.43Å; F551-H555 WeakPolarHBondContact CD2-CD2 3.2Å; F551-H555 AromaticContact CD2-NE2 3.78Å; F551-H555 AromaticContact CE2-CD2 3.19Å; F551-H555 WeakPolarHBondContact CE2-CD2 3.32Å; F551-H555 AromaticContact CE2-NE2 3.38Å; F551-H555 WeakPolarHBondContact CE2-NE2 3.41Å; F551-H555 AromaticContact CZ-CD2 3.62Å; F551-H555 PolarHBondContact O-CD2 2.96Å; F551-H555 PolarHBondContact O-N 3.15Å; F551-I872 HydrophobicContact CD1-CD1 4.41Å; F551-I872 HydrophobicContact CD2-CD1 4.23Å; F551-I872 HydrophobicContact CD2-CG1 4.27Å; F551-I872 HydrophobicContact CD2-CG2 4.39Å; F551-I872 HydrophobicContact CE1-CD1 3.75Å; F551-I872 HydrophobicContact CE2-CD1 3.52Å; F551-I872 HydrophobicContact CE2-CG1 3.81Å; F551-I872 HydrophobicContact CZ-CD1 3.26Å; F551-I872 HydrophobicContact CZ-CG1 4.1Å |
| 552 | I | 95.5 | Very high | 93.7 | Very high | 23 Ų | 23 | 78 Ų | 78 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -51.6 | -46.8 | 176.1 | -79 | 166.6 | 0 | 0 | 0 | 111.1 | V548 K549 S556 V557 A562 V565 I566 | V548-I552 HydrophobicContact CG1-CD1 3.9Å; V548-I552 WeakPolarHBondContact O-CB 3.35Å; V548-I552 VanDerWaalsContact O-CG1 3.31Å; V548-I552 WeakPolarHBondContact O-CG1 3.3Å; V548-I552 PolarHBondContact O-N 2.96Å; K549-I552 PolarHBondContact O-N 3.24Å; I552-S556 PolarHBondContact O-N 3.3Å; I552-S556 VanDerWaalsContact O-N 3.17Å; I552-V557 HydrophobicContact CG2-CB 4.31Å; I552-V557 PolarHBondContact O-N 3.44Å; I552-A562 HydrophobicContact CD1-CB 4.13Å; I552-A562 HydrophobicContact CG1-CB 4.34Å; I552-A562 HydrophobicContact CG2-CB 3.6Å; I552-V565 HydrophobicContact CD1-CB 4.42Å; I552-V565 HydrophobicContact CD1-CG1 4.15Å; I552-I566 HydrophobicContact CD1-CD1 4.11Å; I552-I566 HydrophobicContact CD1-CG1 3.94Å |
| 553 | K | 94.2 | Very high | 93.6 | Very high | 159 Ų | 159 | 78.7 Ų | 78.7 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | 179.6 | -177 | -179 | 177 | -174.4 | 0 | 113 | K549 F551 | K549-K553 VanDerWaalsContact O-CB 3.24Å; K549-K553 WeakPolarHBondContact O-CB 3.19Å; K549-K553 PolarHBondContact O-N 3Å; F551-K553 VanDerWaalsContact C-N 3.26Å; F551-K553 PolarHBondContact O-N 3.4Å |
| 554 | T | 95.4 | Very high | 93.4 | Very high | 105 Ų | 105 | 80.6 Ų | 80.6 | 64% | 0.644 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69 | -37.9 | -179.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | D550 F551 | D550-T554 WeakPolarHBondContact O-CB 3.37Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 3.45Å; F551-T554 PolarHBondContact O-N 2.9Å; F551-T554 VanDerWaalsContact O-N 3.16Å |
| 555 | H | 94.9 | Very high | 93.3 | Very high | 117 Ų | 117 | 80 Ų | 80 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4.4 | -179.7 | -70.2 | -82.5 | 0 | 0 | 0 | 113.9 | F551 V557 | F551-H555 AromaticContact CD2-CD2 3.43Å; F551-H555 VanDerWaalsContact CD2-CD2 3.43Å; F551-H555 WeakPolarHBondContact CD2-CD2 3.2Å; F551-H555 AromaticContact CD2-NE2 3.78Å; F551-H555 AromaticContact CE2-CD2 3.19Å; F551-H555 WeakPolarHBondContact CE2-CD2 3.32Å; F551-H555 AromaticContact CE2-NE2 3.38Å; F551-H555 WeakPolarHBondContact CE2-NE2 3.41Å; F551-H555 AromaticContact CZ-CD2 3.62Å; F551-H555 PolarHBondContact O-CD2 2.96Å; F551-H555 PolarHBondContact O-N 3.15Å; H555-V557 VanDerWaalsContact C-N 3.26Å; H555-V557 HydrophobicContact CB-CG2 4.1Å; H555-V557 PolarHBondContact O-N 3.46Å |
| 556 | S | 93.7 | Very high | 93.2 | Very high | 105 Ų | 105 | 81.4 Ų | 81.4 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.3 | -179.1 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | I552 | I552-S556 PolarHBondContact O-N 3.3Å; I552-S556 VanDerWaalsContact O-N 3.17Å |
| 557 | V | 93.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 84.1 Ų | 84.1 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | trans | -61.8 | 134.3 | -176.6 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | I552 H555 L561 A562 | I552-V557 HydrophobicContact CG2-CB 4.31Å; I552-V557 PolarHBondContact O-N 3.44Å; H555-V557 VanDerWaalsContact C-N 3.26Å; H555-V557 HydrophobicContact CB-CG2 4.1Å; H555-V557 PolarHBondContact O-N 3.46Å; V557-L561 HydrophobicContact CG1-CB 3.98Å; V557-L561 HydrophobicContact CG1-CD2 3.96Å; V557-L561 HydrophobicContact CG1-CG 3.88Å; V557-A562 HydrophobicContact CG1-CB 4.29Å | ||
| 558 | P | 95.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 87.3 Ų | 87.3 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | trans | -54.7 | 142.4 | 176.9 | -26.7 | 35.2 | 0 | 0 | 0 | 112.3 | D560 L561 A562 | P558-D560 VanDerWaalsContact C-N 3.31Å; P558-D560 PolarHBondContact O-N 3.32Å; P558-L561 PolarHBondContact O-N 3.38Å; P558-A562 PolarHBondContact O-N 3.1Å | ||
| 559 | K | 92.9 | Very high | 92.1 | Very high | 158 Ų | 158 | 87.2 Ų | 87.2 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -52.4 | -47.6 | -174 | -69.6 | -172.6 | 177 | -175 | 0 | 112.7 | L561 A562 E563 | K559-L561 PolarHBondContact O-N 3.47Å; K559-A562 WeakPolarHBondContact O-CB 3.33Å; K559-A562 PolarHBondContact O-N 3.45Å; K559-E563 PolarHBondContact O-N 3.2Å |
| 560 | D | 89.6 | Confident | 91.9 | Very high | 125 Ų | 125 | 84.5 Ų | 84.5 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.4 | -31.5 | -177 | -28 | -46.9 | 0 | 0 | 0 | 112.4 | P558 R564 | P558-D560 VanDerWaalsContact C-N 3.31Å; P558-D560 PolarHBondContact O-N 3.32Å; D560-R564 WeakPolarHBondContact O-CD 3.33Å; D560-R564 VanDerWaalsContact O-CG 3.24Å; D560-R564 WeakPolarHBondContact O-CG 3.31Å |
| 561 | L | 89.8 | Confident | 91.4 | Very high | 90 Ų | 90 | 81.2 Ų | 81.2 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -83.7 | -35.7 | 173.8 | -179 | 57.9 | 0 | 0 | 0 | 111.7 | V557 P558 K559 R564 V565 | V557-L561 HydrophobicContact CG1-CB 3.98Å; V557-L561 HydrophobicContact CG1-CD2 3.96Å; V557-L561 HydrophobicContact CG1-CG 3.88Å; P558-L561 PolarHBondContact O-N 3.38Å; K559-L561 PolarHBondContact O-N 3.47Å; L561-R564 PolarHBondContact O-N 3.33Å; L561-V565 HydrophobicContact CD1-CG2 4.25Å; L561-V565 WeakPolarHBondContact O-CB 3.42Å; L561-V565 VanDerWaalsContact O-CG2 3.28Å; L561-V565 WeakPolarHBondContact O-CG2 3.38Å; L561-V565 PolarHBondContact O-N 2.96Å |
| 562 | A | 92 | Very high | 90.8 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I552 V557 P558 K559 V565 I566 | I552-A562 HydrophobicContact CD1-CB 4.13Å; I552-A562 HydrophobicContact CG1-CB 4.34Å; I552-A562 HydrophobicContact CG2-CB 3.6Å; V557-A562 HydrophobicContact CG1-CB 4.29Å; P558-A562 PolarHBondContact O-N 3.1Å; K559-A562 WeakPolarHBondContact O-CB 3.33Å; K559-A562 PolarHBondContact O-N 3.45Å; A562-V565 PolarHBondContact O-N 3Å; A562-I566 VanDerWaalsContact O-CG1 3.28Å; A562-I566 WeakPolarHBondContact O-CG1 3.37Å; A562-I566 PolarHBondContact O-N 3.33Å |
| 563 | E | 90.6 | Very high | 90.5 | Very high | 119 Ų | 119 | 81.8 Ų | 81.8 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 175.8 | -72 | 174.4 | -168.6 | 0 | 0 | 110.3 | K559 V565 I566 D567 | K559-E563 PolarHBondContact O-N 3.2Å; E563-V565 VanDerWaalsContact C-N 3.35Å; E563-V565 PolarHBondContact O-N 2.99Å; E563-I566 PolarHBondContact O-N 3.39Å; E563-I566 VanDerWaalsContact O-N 3.1Å; E563-D567 PolarHBondContact O-N 3.03Å |
| 564 | R | 87.4 | Confident | 90.1 | Very high | 111 Ų | 111 | 77.4 Ų | 77.4 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 173.9 | -74.1 | 177.8 | 67.2 | 158.4 | 9.2 | 113.9 | D560 L561 D567 Y568 G634 D635 | D560-R564 WeakPolarHBondContact O-CD 3.33Å; D560-R564 VanDerWaalsContact O-CG 3.24Å; D560-R564 WeakPolarHBondContact O-CG 3.31Å; L561-R564 PolarHBondContact O-N 3.33Å; R564-D567 PolarHBondContact O-N 3.47Å; R564-Y568 VanDerWaalsContact O-CB 3.27Å; R564-Y568 WeakPolarHBondContact O-CB 3.48Å; R564-Y568 PolarHBondContact O-N 3.1Å; R564-G634 VanDerWaalsContact NH2-C 3.31Å; R564-G634 PolarHBondContact NH2-O 3.27Å; R564-D635 IonicContact CZ-OD1 2.79Å; R564-D635 IonicContact NE-OD1 3.25Å; R564-D635 VanDerWaalsContact NH2-CA 3.33Å; R564-D635 IonicContact NH2-OD1 3.76Å; R564-D635 PolarHBondContact NH2-OD1 3.39Å |
| 565 | V | 90.4 | Very high | 89.4 | Confident | 49 Ų | 49 | 77 Ų | 77 | 30% | 0.297 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.8 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | V548 I552 L561 A562 E563 V569 | V548-V565 HydrophobicContact CG1-CG1 3.88Å; I552-V565 HydrophobicContact CD1-CB 4.42Å; I552-V565 HydrophobicContact CD1-CG1 4.15Å; L561-V565 HydrophobicContact CD1-CG2 4.25Å; L561-V565 WeakPolarHBondContact O-CB 3.42Å; L561-V565 VanDerWaalsContact O-CG2 3.28Å; L561-V565 WeakPolarHBondContact O-CG2 3.38Å; L561-V565 PolarHBondContact O-N 2.96Å; A562-V565 PolarHBondContact O-N 3Å; E563-V565 VanDerWaalsContact C-N 3.35Å; E563-V565 PolarHBondContact O-N 2.99Å; V565-V569 WeakPolarHBondContact O-CB 3.41Å; V565-V569 VanDerWaalsContact O-CG2 3.26Å; V565-V569 WeakPolarHBondContact O-CG2 3.25Å; V565-V569 PolarHBondContact O-N 3.01Å |
| 566 | I | 91.7 | Very high | 88.9 | Confident | 42 Ų | 42 | 73.8 Ų | 73.8 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 176.2 | -70.9 | 166.3 | 0 | 0 | 0 | 110.8 | M545 K549 I552 A562 E563 V569 T570 | M545-I566 HydrophobicContact CE-CG2 4.31Å; M545-I566 HydrophobicContact SD-CG1 4.46Å; M545-I566 HydrophobicContact SD-CG2 4.32Å; K549-I566 HydrophobicContact CG-CD1 4.31Å; I552-I566 HydrophobicContact CD1-CD1 4.11Å; I552-I566 HydrophobicContact CD1-CG1 3.94Å; A562-I566 VanDerWaalsContact O-CG1 3.28Å; A562-I566 WeakPolarHBondContact O-CG1 3.37Å; A562-I566 PolarHBondContact O-N 3.33Å; E563-I566 PolarHBondContact O-N 3.39Å; E563-I566 VanDerWaalsContact O-N 3.1Å; I566-V569 PolarHBondContact O-N 3Å; I566-T570 VanDerWaalsContact O-CB 3.26Å; I566-T570 WeakPolarHBondContact O-CB 3.49Å; I566-T570 PolarHBondContact O-N 2.93Å; I566-T570 PolarHBondContact O-OG1 3.24Å |
| 567 | D | 87.9 | Confident | 88.3 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.9 | -40.5 | 178.2 | -75 | -9.5 | 0 | 0 | 0 | 112 | E563 R564 T570 S571 | E563-D567 PolarHBondContact O-N 3.03Å; R564-D567 PolarHBondContact O-N 3.47Å; D567-T570 PolarHBondContact O-N 2.96Å; D567-S571 VanDerWaalsContact O-CB 3.31Å; D567-S571 WeakPolarHBondContact O-CB 3.4Å; D567-S571 PolarHBondContact O-N 2.91Å; D567-S571 PolarHBondContact O-OG 3.38Å |
| 568 | Y | 85.2 | Confident | 87.6 | Confident | 110 Ų | 110 | 75 Ų | 75 | 43% | 0.431 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 173 | 172.6 | -99.1 | 0 | 0 | 0 | 112 | R564 T570 S571 T572 | R564-Y568 VanDerWaalsContact O-CB 3.27Å; R564-Y568 WeakPolarHBondContact O-CB 3.48Å; R564-Y568 PolarHBondContact O-N 3.1Å; Y568-T570 VanDerWaalsContact C-N 3.34Å; Y568-T570 PolarHBondContact O-N 2.87Å; Y568-S571 PolarHBondContact O-OG 2.94Å; Y568-T572 WeakPolarHBondContact CE2-OG1 3.48Å; Y568-T572 WeakPolarHBondContact O-CB 3.49Å; Y568-T572 PolarHBondContact O-N 3.12Å; Y568-T572 PolarHBondContact O-OG1 2.7Å |
| 569 | V | 88.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 73 Ų | 73 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | M544 M545 V548 V565 I566 W573 | M544-V569 HydrophobicContact CE-CG1 3.61Å; M545-V569 HydrophobicContact CE-CB 4.25Å; M545-V569 HydrophobicContact CE-CG1 3.77Å; V548-V569 HydrophobicContact CG2-CG2 4.43Å; V565-V569 WeakPolarHBondContact O-CB 3.41Å; V565-V569 VanDerWaalsContact O-CG2 3.26Å; V565-V569 WeakPolarHBondContact O-CG2 3.25Å; V565-V569 PolarHBondContact O-N 3.01Å; I566-V569 PolarHBondContact O-N 3Å; V569-W573 VanDerWaalsContact O-CB 3.25Å; V569-W573 WeakPolarHBondContact O-CB 3.1Å; V569-W573 PolarHBondContact O-N 3.32Å |
| 570 | T | 90 | Very high | 86.8 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.4 | -46.7 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | Y541 M545 I566 D567 Y568 W573 A574 | Y541-T570 PolarHBondContact OH-OG1 2.59Å; M545-T570 WeakPolarHBondContact CE-OG1 3.39Å; I566-T570 VanDerWaalsContact O-CB 3.26Å; I566-T570 WeakPolarHBondContact O-CB 3.49Å; I566-T570 PolarHBondContact O-N 2.93Å; I566-T570 PolarHBondContact O-OG1 3.24Å; D567-T570 PolarHBondContact O-N 2.96Å; Y568-T570 VanDerWaalsContact C-N 3.34Å; Y568-T570 PolarHBondContact O-N 2.87Å; T570-W573 PolarHBondContact O-N 3.34Å; T570-A574 WeakPolarHBondContact O-CB 3.45Å; T570-A574 PolarHBondContact O-N 3.43Å |
| 571 | S | 83.9 | Confident | 86.7 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | D567 Y568 W573 A574 I575 | D567-S571 VanDerWaalsContact O-CB 3.31Å; D567-S571 WeakPolarHBondContact O-CB 3.4Å; D567-S571 PolarHBondContact O-N 2.91Å; D567-S571 PolarHBondContact O-OG 3.38Å; Y568-S571 PolarHBondContact O-OG 2.94Å; S571-W573 VanDerWaalsContact C-N 3.31Å; S571-W573 PolarHBondContact O-N 2.81Å; S571-A574 PolarHBondContact O-N 2.97Å; S571-A574 VanDerWaalsContact O-N 3.14Å; S571-I575 WeakPolarHBondContact O-CG1 3.2Å; S571-I575 PolarHBondContact O-N 3.23Å |
| 572 | T | 84.5 | Confident | 86.5 | Confident | 40 Ų | 40 | 66 Ų | 66 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | Y568 T576 | Y568-T572 WeakPolarHBondContact CE2-OG1 3.48Å; Y568-T572 WeakPolarHBondContact O-CB 3.49Å; Y568-T572 PolarHBondContact O-N 3.12Å; Y568-T572 PolarHBondContact O-OG1 2.7Å; T572-T576 HydrophobicContact CG2-CG2 4.19Å; T572-T576 WeakPolarHBondContact O-CB 3.4Å; T572-T576 WeakPolarHBondContact O-CG2 3.41Å; T572-T576 PolarHBondContact O-N 2.85Å; T572-T576 PolarHBondContact O-OG1 3.38Å |
| 573 | W | 87.5 | Confident | 86.2 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 174.6 | -174.2 | -87.6 | 0 | 0 | 0 | 112.8 | T537 R540 Y541 M544 V569 T570 S571 K577 G578 | T537-W573 HydrophobicContact CG2-CZ2 4.09Å; R540-W573 HydrophobicContact CB-CH2 4.39Å; Y541-W573 HydrophobicContact CD2-CB 4.05Å; Y541-W573 AromaticContact CD2-CD1 3.52Å; Y541-W573 AromaticContact CD2-CD2 3.53Å; Y541-W573 HydrophobicContact CD2-CD2 3.53Å; Y541-W573 AromaticContact CD2-CE2 3.75Å; Y541-W573 HydrophobicContact CD2-CE3 4.16Å; Y541-W573 AromaticContact CD2-CG 3.42Å; Y541-W573 HydrophobicContact CD2-CG 3.42Å; Y541-W573 VanDerWaalsContact CD2-CG 3.42Å; Y541-W573 AromaticContact CD2-NE1 3.72Å; Y541-W573 HydrophobicContact CE2-CB 3.95Å; Y541-W573 AromaticContact CE2-CD1 3.9Å; Y541-W573 HydrophobicContact CE2-CD2 4.34Å; Y541-W573 AromaticContact CE2-CG 3.78Å; Y541-W573 HydrophobicContact CE2-CG 3.78Å; Y541-W573 HydrophobicContact CG-CD2 4.27Å; Y541-W573 HydrophobicContact CG-CG 4.35Å; Y541-W573 AromaticContact CG-NE1 3.91Å; M544-W573 HydrophobicContact CE-CD2 4.35Å; M544-W573 HydrophobicContact CE-CE3 3.58Å; M544-W573 HydrophobicContact CE-CZ3 4.05Å; M544-W573 HydrophobicContact SD-CE3 4.42Å; M544-W573 HydrophobicContact SD-CZ3 4.47Å; V569-W573 VanDerWaalsContact O-CB 3.25Å; V569-W573 WeakPolarHBondContact O-CB 3.1Å; V569-W573 PolarHBondContact O-N 3.32Å; T570-W573 PolarHBondContact O-N 3.34Å; S571-W573 VanDerWaalsContact C-N 3.31Å; S571-W573 PolarHBondContact O-N 2.81Å; W573-K577 WeakPolarHBondContact O-CA 3.44Å; W573-K577 PolarHBondContact O-N 3.38Å; W573-G578 VanDerWaalsContact CZ3-CA 3.44Å |
| 574 | A | 85.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 55% | 0.554 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T570 S571 | T570-A574 WeakPolarHBondContact O-CB 3.45Å; T570-A574 PolarHBondContact O-N 3.43Å; S571-A574 PolarHBondContact O-N 2.97Å; S571-A574 VanDerWaalsContact O-N 3.14Å |
| 575 | I | 81.2 | Confident | 86.2 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.4 | -51.3 | 179.5 | -65 | 164.1 | 0 | 0 | 0 | 111.3 | S571 K577 H630 | S571-I575 WeakPolarHBondContact O-CG1 3.2Å; S571-I575 PolarHBondContact O-N 3.23Å; I575-K577 VanDerWaalsContact C-N 3.33Å; I575-K577 PolarHBondContact O-N 3.36Å; I575-H630 WeakPolarHBondContact CD1-NE2 3.2Å |
| 576 | T | 84.1 | Confident | 86.1 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 31% | 0.307 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -78.3 | -15.9 | -176.9 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | T572 G578 I579 | T572-T576 HydrophobicContact CG2-CG2 4.19Å; T572-T576 WeakPolarHBondContact O-CB 3.4Å; T572-T576 WeakPolarHBondContact O-CG2 3.41Å; T572-T576 PolarHBondContact O-N 2.85Å; T572-T576 PolarHBondContact O-OG1 3.38Å; T576-G578 PolarHBondContact O-N 3.23Å; T576-G578 VanDerWaalsContact O-N 3.13Å; T576-G578 PolarHBondContact OG1-N 2.92Å; T576-I579 WeakPolarHBondContact O-CB 3.19Å; T576-I579 WeakPolarHBondContact O-CG1 3.37Å; T576-I579 PolarHBondContact O-N 3.24Å |
| 577 | K | 82.9 | Confident | 86 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 60% | 0.6 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 26.7 | -169.8 | -57.3 | -176.9 | -179.3 | -179.8 | 0 | 113.3 | W573 I575 I1263 | W573-K577 WeakPolarHBondContact O-CA 3.44Å; W573-K577 PolarHBondContact O-N 3.38Å; I575-K577 VanDerWaalsContact C-N 3.33Å; I575-K577 PolarHBondContact O-N 3.36Å; K577-I1263 HydrophobicContact CD-CD1 4.42Å |
| 578 | G | 79 | Confident | 85.9 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 20 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | W573 T576 | W573-G578 VanDerWaalsContact CZ3-CA 3.44Å; T576-G578 PolarHBondContact O-N 3.23Å; T576-G578 VanDerWaalsContact O-N 3.13Å; T576-G578 PolarHBondContact OG1-N 2.92Å |
| 579 | I | 86 | Confident | 86.2 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | trans | -95 | 119.6 | 180 | -59.9 | 177.1 | 0 | 0 | 0 | 111 | T576 T581 V584 I1263 | T576-I579 WeakPolarHBondContact O-CB 3.19Å; T576-I579 WeakPolarHBondContact O-CG1 3.37Å; T576-I579 PolarHBondContact O-N 3.24Å; I579-T581 PolarHBondContact O-N 3.27Å; I579-V584 HydrophobicContact CG2-CG2 3.71Å; I579-I1263 HydrophobicContact CD1-CD1 3.61Å; I579-I1263 HydrophobicContact CD1-CG1 4.12Å | ||
| 580 | D | 85.2 | Confident | 86.2 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | trans | -72.3 | 105.9 | 166.1 | 176.6 | -16 | 0 | 0 | 0 | 110 | A582 K583 V584 | D580-A582 PolarHBondContact OD1-N 3.06Å; D580-K583 HydrophobicContact CB-CB 3.86Å; D580-K583 HydrophobicContact CB-CD 4.38Å; D580-K583 PolarHBondContact O-N 3.38Å; D580-K583 WeakPolarHBondContact OD1-CB 3.44Å; D580-K583 PolarHBondContact OD1-N 3Å; D580-K583 VanDerWaalsContact OD2-CB 3.24Å; D580-K583 WeakPolarHBondContact OD2-CB 3.16Å; D580-K583 WeakPolarHBondContact OD2-CD 3.36Å; D580-V584 WeakPolarHBondContact O-CG2 3.33Å; D580-V584 PolarHBondContact O-N 3.42Å; D580-V584 VanDerWaalsContact O-N 3.1Å | ||
| 581 | T | 85.9 | Confident | 86 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.6 | -36.3 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | I579 L585 | I579-T581 PolarHBondContact O-N 3.27Å; T581-L585 VanDerWaalsContact O-CB 3.32Å; T581-L585 WeakPolarHBondContact O-CB 3.28Å; T581-L585 WeakPolarHBondContact O-CD1 3.37Å; T581-L585 VanDerWaalsContact O-CG 3.22Å; T581-L585 WeakPolarHBondContact O-CG 3.38Å; T581-L585 PolarHBondContact O-N 3Å |
| 582 | A | 85.7 | Confident | 86.2 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D580 L585 N586 | D580-A582 PolarHBondContact OD1-N 3.06Å; A582-L585 PolarHBondContact O-N 3.28Å; A582-N586 WeakPolarHBondContact O-CB 3.48Å; A582-N586 PolarHBondContact O-N 3.38Å; A582-N586 PolarHBondContact O-ND2 2.93Å; A582-N586 VanDerWaalsContact O-ND2 3.16Å |
| 583 | K | 87 | Confident | 86.5 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 176.2 | -165 | 164.5 | -163.2 | 153.6 | 0 | 111.5 | D580 N586 Y587 D877 | D580-K583 HydrophobicContact CB-CB 3.86Å; D580-K583 HydrophobicContact CB-CD 4.38Å; D580-K583 PolarHBondContact O-N 3.38Å; D580-K583 WeakPolarHBondContact OD1-CB 3.44Å; D580-K583 PolarHBondContact OD1-N 3Å; D580-K583 VanDerWaalsContact OD2-CB 3.24Å; D580-K583 WeakPolarHBondContact OD2-CB 3.16Å; D580-K583 WeakPolarHBondContact OD2-CD 3.36Å; K583-N586 PolarHBondContact O-N 2.89Å; K583-Y587 HydrophobicContact CG-CE2 4.32Å; K583-Y587 WeakPolarHBondContact O-CD2 3.4Å; K583-Y587 PolarHBondContact O-N 3.19Å; K583-D877 IonicContact NZ-OD1 3.21Å; K583-D877 PolarHBondContact NZ-OD1 2.99Å; K583-D877 IonicContact NZ-OD2 3.92Å; K583-D877 PolarHBondContact NZ-OD2 3.35Å |
| 584 | V | 89 | Confident | 86.7 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 171.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | I579 D580 N586 Y587 | I579-V584 HydrophobicContact CG2-CG2 3.71Å; D580-V584 WeakPolarHBondContact O-CG2 3.33Å; D580-V584 PolarHBondContact O-N 3.42Å; D580-V584 VanDerWaalsContact O-N 3.1Å; V584-N586 PolarHBondContact O-N 3.18Å; V584-N586 VanDerWaalsContact O-N 3.16Å; V584-Y587 PolarHBondContact O-N 3.22Å; V584-Y587 VanDerWaalsContact O-N 3.08Å |
| 585 | L | 88.6 | Confident | 87 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.5 | -25.5 | 179 | -77.1 | 166.3 | 0 | 0 | 0 | 113.4 | T581 A582 C588 K593 L596 | T581-L585 VanDerWaalsContact O-CB 3.32Å; T581-L585 WeakPolarHBondContact O-CB 3.28Å; T581-L585 WeakPolarHBondContact O-CD1 3.37Å; T581-L585 VanDerWaalsContact O-CG 3.22Å; T581-L585 WeakPolarHBondContact O-CG 3.38Å; T581-L585 PolarHBondContact O-N 3Å; A582-L585 PolarHBondContact O-N 3.28Å; L585-C588 WeakPolarHBondContact O-CB 3.36Å; L585-C588 PolarHBondContact O-N 3.28Å; L585-K593 HydrophobicContact CB-CD 4.46Å; L585-K593 HydrophobicContact CB-CG 4.34Å; L585-K593 HydrophobicContact CD2-CG 4.12Å; L585-K593 WeakPolarHBondContact O-CD 3.48Å; L585-L596 HydrophobicContact CD2-CB 4.33Å; L585-L596 HydrophobicContact CD2-CD2 3.74Å; L585-L596 HydrophobicContact CD2-CG 3.99Å |
| 586 | N | 89 | Confident | 87.5 | Confident | 111 Ų | 111 | 75 Ų | 75 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -83.9 | -13.2 | 178.1 | -71.2 | -21.9 | 0 | 0 | 0 | 114.2 | A582 K583 V584 C588 K593 | A582-N586 WeakPolarHBondContact O-CB 3.48Å; A582-N586 PolarHBondContact O-N 3.38Å; A582-N586 PolarHBondContact O-ND2 2.93Å; A582-N586 VanDerWaalsContact O-ND2 3.16Å; K583-N586 PolarHBondContact O-N 2.89Å; V584-N586 PolarHBondContact O-N 3.18Å; V584-N586 VanDerWaalsContact O-N 3.16Å; N586-C588 VanDerWaalsContact C-N 3.33Å; N586-K593 PolarHBondContact OD1-NZ 2.89Å |
| 587 | Y | 88 | Confident | 88 | Confident | 145 Ų | 145 | 73 Ų | 73 | 57% | 0.569 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -79.2 | -17.8 | 165.4 | -71.4 | -69.9 | 0 | 0 | 0 | 112.5 | K583 V584 | K583-Y587 HydrophobicContact CG-CE2 4.32Å; K583-Y587 WeakPolarHBondContact O-CD2 3.4Å; K583-Y587 PolarHBondContact O-N 3.19Å; V584-Y587 PolarHBondContact O-N 3.22Å; V584-Y587 VanDerWaalsContact O-N 3.08Å |
| 588 | C | 87.1 | Confident | 88.5 | Confident | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.142 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -77.9 | 139.1 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | L585 N586 M592 K593 | L585-C588 WeakPolarHBondContact O-CB 3.36Å; L585-C588 PolarHBondContact O-N 3.28Å; N586-C588 VanDerWaalsContact C-N 3.33Å; C588-M592 HydrophobicContact CB-CE 3.83Å; C588-M592 VanDerWaalsContact SG-CE 3.56Å; C588-K593 HydrophobicContact CB-CB 4.06Å |
| 589 | P | 89.9 | Confident | 89.1 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | trans | -63.4 | 151.6 | 169.1 | 28.4 | -34.2 | 0 | 0 | 0 | 110.4 | D591 M592 K593 | P589-D591 VanDerWaalsContact C-N 3.27Å; P589-D591 PolarHBondContact O-N 3.44Å; P589-M592 HydrophobicContact CG-CB 3.89Å; P589-M592 PolarHBondContact O-N 2.9Å; P589-K593 PolarHBondContact O-N 2.71Å | ||
| 590 | K | 89.2 | Confident | 89.4 | Confident | 177 Ų | 177 | 72 Ų | 72 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -48.8 | -42.5 | -168.2 | -171.7 | -179.1 | 179.4 | -176.7 | 0 | 114.4 | A594 | K590-A594 PolarHBondContact O-N 3.24Å |
| 591 | D | 86 | Confident | 89.8 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.9 | -46.3 | -178.4 | -53 | -46.2 | 0 | 0 | 0 | 111.5 | P589 K593 A594 D595 | P589-D591 VanDerWaalsContact C-N 3.27Å; P589-D591 PolarHBondContact O-N 3.44Å; D591-K593 VanDerWaalsContact C-N 3.35Å; D591-K593 PolarHBondContact O-N 2.96Å; D591-A594 WeakPolarHBondContact O-CB 3.44Å; D591-A594 PolarHBondContact O-N 2.75Å; D591-A594 VanDerWaalsContact O-N 3.13Å; D591-D595 PolarHBondContact O-N 3.42Å |
| 592 | M | 88.9 | Confident | 90.1 | Very high | 107 Ų | 107 | 69.1 Ų | 69.1 | 53% | 0.527 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 176.6 | -166 | 176.4 | 93.7 | 0 | 0 | 112.2 | C588 P589 A594 D595 L596 | C588-M592 HydrophobicContact CB-CE 3.83Å; C588-M592 VanDerWaalsContact SG-CE 3.56Å; P589-M592 HydrophobicContact CG-CB 3.89Å; P589-M592 PolarHBondContact O-N 2.9Å; M592-A594 VanDerWaalsContact C-N 3.34Å; M592-D595 PolarHBondContact O-N 3.47Å; M592-L596 WeakPolarHBondContact O-CB 3.32Å; M592-L596 PolarHBondContact O-N 2.59Å |
| 593 | K | 91.4 | Very high | 90.3 | Very high | 47 Ų | 47 | 68.9 Ų | 68.9 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 170 | -176.4 | 178.2 | 180 | 164 | 0 | 110.3 | L585 N586 C588 P589 D591 L596 C597 | L585-K593 HydrophobicContact CB-CD 4.46Å; L585-K593 HydrophobicContact CB-CG 4.34Å; L585-K593 HydrophobicContact CD2-CG 4.12Å; L585-K593 WeakPolarHBondContact O-CD 3.48Å; N586-K593 PolarHBondContact OD1-NZ 2.89Å; C588-K593 HydrophobicContact CB-CB 4.06Å; P589-K593 PolarHBondContact O-N 2.71Å; D591-K593 VanDerWaalsContact C-N 3.35Å; D591-K593 PolarHBondContact O-N 2.96Å; K593-L596 PolarHBondContact O-N 2.96Å; K593-C597 WeakPolarHBondContact O-CB 3.5Å; K593-C597 PolarHBondContact O-N 3.35Å; K593-C597 PolarHBondContact O-SG 3.35Å |
| 594 | A | 91.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | K590 D591 M592 C597 I598 R620 V624 | K590-A594 PolarHBondContact O-N 3.24Å; D591-A594 WeakPolarHBondContact O-CB 3.44Å; D591-A594 PolarHBondContact O-N 2.75Å; D591-A594 VanDerWaalsContact O-N 3.13Å; M592-A594 VanDerWaalsContact C-N 3.34Å; A594-C597 PolarHBondContact O-N 3.5Å; A594-I598 WeakPolarHBondContact O-CG1 3.34Å; A594-I598 PolarHBondContact O-N 3.16Å; A594-R620 HydrophobicContact CB-CB 4Å; A594-R620 HydrophobicContact CB-CG 3.93Å; A594-V624 HydrophobicContact CB-CG2 3.98Å |
| 595 | D | 91.6 | Very high | 90.8 | Very high | 63 Ų | 63 | 63 Ų | 63 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.2 | -77.1 | -60.5 | 0 | 0 | 0 | 112.2 | D591 M592 I598 H599 R620 | D591-D595 PolarHBondContact O-N 3.42Å; M592-D595 PolarHBondContact O-N 3.47Å; D595-I598 PolarHBondContact O-N 2.99Å; D595-H599 PolarHBondContact O-N 3.3Å; D595-R620 IonicContact OD1-CZ 3.74Å; D595-R620 IonicContact OD1-NH1 3.91Å; D595-R620 PolarHBondContact OD1-NH1 3.44Å; D595-R620 VanDerWaalsContact OD1-NH1 3.15Å; D595-R620 IonicContact OD1-NH2 3.47Å; D595-R620 PolarHBondContact OD1-NH2 3.47Å; D595-R620 IonicContact OD2-CZ 3.92Å; D595-R620 IonicContact OD2-NH1 2.75Å; D595-R620 PolarHBondContact OD2-NH1 2.9Å; D595-R620 IonicContact OD2-NH2 2.58Å |
| 596 | L | 92.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.6 | -178.2 | 54.1 | 0 | 0 | 0 | 111.6 | L585 M592 K593 I598 H599 L600 | L585-L596 HydrophobicContact CD2-CB 4.33Å; L585-L596 HydrophobicContact CD2-CD2 3.74Å; L585-L596 HydrophobicContact CD2-CG 3.99Å; M592-L596 WeakPolarHBondContact O-CB 3.32Å; M592-L596 PolarHBondContact O-N 2.59Å; K593-L596 PolarHBondContact O-N 2.96Å; L596-I598 VanDerWaalsContact C-N 3.31Å; L596-I598 PolarHBondContact O-N 2.85Å; L596-H599 PolarHBondContact O-N 2.87Å; L596-H599 VanDerWaalsContact O-N 3.13Å; L596-L600 WeakPolarHBondContact O-CG 3.2Å; L596-L600 PolarHBondContact O-N 3.2Å |
| 597 | C | 93.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.054 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 172.1 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | K593 A594 N601 A623 V624 | K593-C597 WeakPolarHBondContact O-CB 3.5Å; K593-C597 PolarHBondContact O-N 3.35Å; K593-C597 PolarHBondContact O-SG 3.35Å; A594-C597 PolarHBondContact O-N 3.5Å; C597-N601 WeakPolarHBondContact O-CB 3.44Å; C597-N601 PolarHBondContact O-N 2.79Å; C597-N601 PolarHBondContact O-ND2 3.28Å; C597-A623 HydrophobicContact CB-CB 3.76Å; C597-A623 WeakPolarHBondContact CB-O 3.4Å; C597-V624 HydrophobicContact CB-CG2 4.36Å |
| 598 | I | 93.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 172.6 | -74.2 | 170.4 | 0 | 0 | 0 | 110.8 | A594 D595 L596 N601 R602 F605 L619 R620 A623 | A594-I598 WeakPolarHBondContact O-CG1 3.34Å; A594-I598 PolarHBondContact O-N 3.16Å; D595-I598 PolarHBondContact O-N 2.99Å; L596-I598 VanDerWaalsContact C-N 3.31Å; L596-I598 PolarHBondContact O-N 2.85Å; I598-N601 CarbonylContact O-C 3.17Å; I598-N601 PolarHBondContact O-N 2.93Å; I598-R602 WeakPolarHBondContact O-CA 3.39Å; I598-R602 PolarHBondContact O-N 3.01Å; I598-F605 HydrophobicContact CG1-CE2 4.35Å; I598-L619 HydrophobicContact CD1-CB 4.21Å; I598-R620 HydrophobicContact CD1-CB 4.37Å; I598-R620 HydrophobicContact CD1-CG 3.56Å; I598-A623 HydrophobicContact CG1-CB 3.69Å |
| 599 | H | 92.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 177.8 | -177.4 | 88.9 | 0 | 0 | 0 | 112.6 | D595 L596 R602 | D595-H599 PolarHBondContact O-N 3.3Å; L596-H599 PolarHBondContact O-N 2.87Å; L596-H599 VanDerWaalsContact O-N 3.13Å; H599-R602 PolarHBondContact NE2-NH1 2.91Å; H599-R602 WeakPolarHBondContact O-CB 3.31Å; H599-R602 VanDerWaalsContact O-CD 3.25Å; H599-R602 WeakPolarHBondContact O-CD 3.27Å; H599-R602 WeakPolarHBondContact O-CG 3.37Å; H599-R602 PolarHBondContact O-N 2.91Å; H599-R602 PolarHBondContact O-NH1 2.98Å |
| 600 | L | 91.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 173.2 | -68.8 | 169.7 | 0 | 0 | 0 | 110.7 | L596 R602 H700 | L596-L600 WeakPolarHBondContact O-CG 3.2Å; L596-L600 PolarHBondContact O-N 3.2Å; L600-R602 PolarHBondContact O-N 3.45Å; L600-H700 PolarHBondContact O-CE1 3.47Å |
| 601 | N | 93.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 12.2 | -179.1 | -68.6 | -71.5 | 0 | 0 | 0 | 114.6 | C597 I598 M603 V604 F605 A623 F626 H700 | C597-N601 WeakPolarHBondContact O-CB 3.44Å; C597-N601 PolarHBondContact O-N 2.79Å; C597-N601 PolarHBondContact O-ND2 3.28Å; I598-N601 CarbonylContact O-C 3.17Å; I598-N601 PolarHBondContact O-N 2.93Å; N601-M603 PolarHBondContact O-N 2.97Å; N601-M603 VanDerWaalsContact O-N 3.14Å; N601-V604 PolarHBondContact O-N 3.44Å; N601-V604 VanDerWaalsContact O-N 3.15Å; N601-F605 HydrophobicContact CB-CD2 3.82Å; N601-F605 HydrophobicContact CB-CE2 3.38Å; N601-F605 HydrophobicContact CB-CZ 3.88Å; N601-F605 WeakPolarHBondContact O-CD2 3.42Å; N601-F605 PolarHBondContact O-N 2.85Å; N601-F605 VanDerWaalsContact O-N 3.1Å; N601-A623 PolarHBondContact ND2-O 3.42Å; N601-F626 VanDerWaalsContact OD1-CB 3.27Å; N601-F626 WeakPolarHBondContact OD1-CB 3.49Å; N601-H700 PolarHBondContact OD1-ND1 2.88Å |
| 602 | R | 92.5 | Very high | 91.6 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -29.7 | -172.8 | 71.9 | -173.3 | 178.6 | -78.5 | 0.9 | 114 | I598 H599 L600 N606 | I598-R602 WeakPolarHBondContact O-CA 3.39Å; I598-R602 PolarHBondContact O-N 3.01Å; H599-R602 PolarHBondContact NE2-NH1 2.91Å; H599-R602 WeakPolarHBondContact O-CB 3.31Å; H599-R602 VanDerWaalsContact O-CD 3.25Å; H599-R602 WeakPolarHBondContact O-CD 3.27Å; H599-R602 WeakPolarHBondContact O-CG 3.37Å; H599-R602 PolarHBondContact O-N 2.91Å; H599-R602 PolarHBondContact O-NH1 2.98Å; L600-R602 PolarHBondContact O-N 3.45Å; R602-N606 VanDerWaalsContact O-CB 3.26Å; R602-N606 WeakPolarHBondContact O-CB 3.41Å; R602-N606 VanDerWaalsContact O-CG 3.24Å; R602-N606 PolarHBondContact O-N 2.85Å; R602-N606 VanDerWaalsContact O-N 3.16Å; R602-N606 PolarHBondContact O-ND2 2.9Å |
| 603 | M | 90.6 | Very high | 91.7 | Very high | 48 Ų | 48 | 57 Ų | 57 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -54.9 | 177.2 | -57.3 | -61.3 | -72.6 | 0 | 0 | 109.2 | N601 F605 N606 E607 V651 | N601-M603 PolarHBondContact O-N 2.97Å; N601-M603 VanDerWaalsContact O-N 3.14Å; M603-F605 PolarHBondContact O-N 2.98Å; M603-N606 PolarHBondContact O-N 3.24Å; M603-E607 VanDerWaalsContact CE-OE1 3.28Å; M603-E607 WeakPolarHBondContact CE-OE1 3.47Å; M603-E607 VanDerWaalsContact O-CB 3.3Å; M603-E607 WeakPolarHBondContact O-CB 3.41Å; M603-E607 WeakPolarHBondContact O-CG 3.49Å; M603-E607 PolarHBondContact O-N 2.72Å; M603-V651 HydrophobicContact CB-CG1 3.63Å; M603-V651 HydrophobicContact CB-CG2 4.11Å; M603-V651 HydrophobicContact CG-CG1 3.67Å |
| 604 | V | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.4 | -47.6 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | N601 N606 H608 F611 F626 F649 V651 H700 | N601-V604 PolarHBondContact O-N 3.44Å; N601-V604 VanDerWaalsContact O-N 3.15Å; V604-N606 PolarHBondContact O-N 3Å; V604-H608 PolarHBondContact O-CD2 2.79Å; V604-H608 VanDerWaalsContact O-CD2 3.32Å; V604-H608 PolarHBondContact O-N 2.82Å; V604-F611 HydrophobicContact CG1-CD2 4.1Å; V604-F611 HydrophobicContact CG1-CE2 3.5Å; V604-F611 VanDerWaalsContact CG1-CE2 3.5Å; V604-F611 HydrophobicContact CG1-CZ 4.16Å; V604-F611 WeakPolarHBondContact O-CD2 3.41Å; V604-F626 HydrophobicContact CG1-CE1 4.48Å; V604-F626 HydrophobicContact CG1-CZ 4.21Å; V604-F649 HydrophobicContact CG1-CB 4.28Å; V604-F649 HydrophobicContact CG1-CD1 3.87Å; V604-F649 HydrophobicContact CG1-CD2 4.4Å; V604-F649 HydrophobicContact CG1-CE1 4.29Å; V604-F649 HydrophobicContact CG1-CG 3.94Å; V604-F649 HydrophobicContact CG2-CB 4.06Å; V604-V651 HydrophobicContact CG2-CG2 3.65Å; V604-H700 HydrophobicContact CG2-CB 3.56Å |
| 605 | F | 93.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.8 | -23.5 | -175.6 | -61.7 | -39.4 | 0 | 0 | 0 | 115 | I598 N601 M603 F611 L619 L622 A623 F626 | I598-F605 HydrophobicContact CG1-CE2 4.35Å; N601-F605 HydrophobicContact CB-CD2 3.82Å; N601-F605 HydrophobicContact CB-CE2 3.38Å; N601-F605 HydrophobicContact CB-CZ 3.88Å; N601-F605 WeakPolarHBondContact O-CD2 3.42Å; N601-F605 PolarHBondContact O-N 2.85Å; N601-F605 VanDerWaalsContact O-N 3.1Å; M603-F605 PolarHBondContact O-N 2.98Å; F605-F611 HydrophobicContact CB-CB 4.49Å; F605-F611 HydrophobicContact CD1-CB 4.08Å; F605-F611 AromaticContact CD1-CD1 3.94Å; F605-F611 HydrophobicContact CD1-CD1 3.94Å; F605-F611 HydrophobicContact CD1-CD2 4.06Å; F605-F611 HydrophobicContact CD1-CE1 4.41Å; F605-F611 AromaticContact CD1-CG 3.75Å; F605-F611 HydrophobicContact CD1-CG 3.75Å; F605-F611 HydrophobicContact CE1-CD1 4.15Å; F605-F611 HydrophobicContact CE1-CE1 4.29Å; F605-F611 HydrophobicContact CE1-CG 4.4Å; F605-L619 HydrophobicContact CB-CD2 4.23Å; F605-L619 HydrophobicContact CD1-CD2 3.71Å; F605-L619 HydrophobicContact CD2-CD2 4.32Å; F605-L619 HydrophobicContact CE1-CD2 4.09Å; F605-L619 HydrophobicContact CG-CD2 3.84Å; F605-L622 HydrophobicContact CE1-CB 4.2Å; F605-L622 HydrophobicContact CE1-CD1 4.45Å; F605-L622 HydrophobicContact CZ-CB 4.13Å; F605-A623 HydrophobicContact CE2-CB 3.71Å; F605-A623 HydrophobicContact CZ-CB 3.88Å; F605-F626 HydrophobicContact CE1-CD2 4.22Å; F605-F626 AromaticContact CE1-CE2 3.82Å; F605-F626 HydrophobicContact CE1-CE2 3.82Å; F605-F626 HydrophobicContact CZ-CD2 4Å; F605-F626 HydrophobicContact CZ-CE2 4.08Å |
| 606 | N | 90.7 | Very high | 91.8 | Very high | 135 Ų | 135 | 58.1 Ų | 58.1 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -97.3 | -31.4 | 179.5 | -67 | -38 | 0 | 0 | 0 | 113.2 | R602 M603 V604 | R602-N606 VanDerWaalsContact O-CB 3.26Å; R602-N606 WeakPolarHBondContact O-CB 3.41Å; R602-N606 VanDerWaalsContact O-CG 3.24Å; R602-N606 PolarHBondContact O-N 2.85Å; R602-N606 VanDerWaalsContact O-N 3.16Å; R602-N606 PolarHBondContact O-ND2 2.9Å; M603-N606 PolarHBondContact O-N 3.24Å; V604-N606 PolarHBondContact O-N 3Å |
| 607 | E | 89.5 | Confident | 91.8 | Very high | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -85 | -40.8 | -175.7 | -63.9 | -174.1 | 171.6 | 0 | 0 | 112.4 | M603 R669 | M603-E607 VanDerWaalsContact CE-OE1 3.28Å; M603-E607 WeakPolarHBondContact CE-OE1 3.47Å; M603-E607 VanDerWaalsContact O-CB 3.3Å; M603-E607 WeakPolarHBondContact O-CB 3.41Å; M603-E607 WeakPolarHBondContact O-CG 3.49Å; M603-E607 PolarHBondContact O-N 2.72Å; E607-R669 IonicContact OE1-CZ 2.74Å; E607-R669 IonicContact OE1-NE 2.72Å; E607-R669 IonicContact OE1-NH2 3.36Å; E607-R669 PolarHBondContact OE1-NH2 2.66Å; E607-R669 IonicContact OE2-NE 3.82Å; E607-R669 PolarHBondContact OE2-NE 3.46Å; E607-R669 IonicContact OE2-NH2 3.27Å |
| 608 | H | 90.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -85.3 | 131.5 | -177.8 | -58 | -85.9 | 0 | 0 | 0 | 113 | V604 A610 F611 F649 G670 V672 | V604-H608 PolarHBondContact O-CD2 2.79Å; V604-H608 VanDerWaalsContact O-CD2 3.32Å; V604-H608 PolarHBondContact O-N 2.82Å; H608-A610 PolarHBondContact O-N 2.68Å; H608-F611 HydrophobicContact CB-CD2 4.09Å; H608-F611 HydrophobicContact CB-CE2 4.29Å; H608-F611 PolarHBondContact O-N 3.2Å; H608-F649 AromaticContact CD2-CD1 3.73Å; H608-F649 AromaticContact CE1-CD1 3.86Å; H608-F649 AromaticContact NE2-CD1 3.52Å; H608-G670 PolarHBondContact CE1-O 2.82Å; H608-G670 PolarHBondContact ND1-O 3.31Å; H608-V672 WeakPolarHBondContact CE1-CG2 3.42Å |
| 609 | P | 90.4 | Very high | 92 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 53% | 0.532 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.8 | -179.2 | 28.2 | -36.1 | 0 | 0 | 0 | 114 | F611 N724 | P609-F611 VanDerWaalsContact C-N 3.33Å; P609-F611 PolarHBondContact O-N 3.19Å; P609-N724 PolarHBondContact O-ND2 3.41Å |
| 610 | A | 91.2 | Very high | 92 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H608 F717 F721 N724 L725 | H608-A610 PolarHBondContact O-N 2.68Å; A610-F717 VanDerWaalsContact O-CE2 3.3Å; A610-F717 WeakPolarHBondContact O-CE2 3.25Å; A610-F717 WeakPolarHBondContact O-CZ 3.23Å; A610-F721 HydrophobicContact CB-CD2 4.04Å; A610-F721 HydrophobicContact CB-CE2 4.24Å; A610-N724 HydrophobicContact CB-CB 4.49Å; A610-L725 HydrophobicContact CB-CB 3.83Å; A610-L725 HydrophobicContact CB-CD1 4.12Å; A610-L725 HydrophobicContact CB-CG 4.47Å |
| 611 | F | 92.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -12.4 | -172.8 | -57.2 | -70.1 | 0 | 0 | 0 | 114.2 | V604 F605 H608 P609 L613 A614 L619 L622 F626 F649 F717 F721 | V604-F611 HydrophobicContact CG1-CD2 4.1Å; V604-F611 HydrophobicContact CG1-CE2 3.5Å; V604-F611 VanDerWaalsContact CG1-CE2 3.5Å; V604-F611 HydrophobicContact CG1-CZ 4.16Å; V604-F611 WeakPolarHBondContact O-CD2 3.41Å; F605-F611 HydrophobicContact CB-CB 4.49Å; F605-F611 HydrophobicContact CD1-CB 4.08Å; F605-F611 AromaticContact CD1-CD1 3.94Å; F605-F611 HydrophobicContact CD1-CD1 3.94Å; F605-F611 HydrophobicContact CD1-CD2 4.06Å; F605-F611 HydrophobicContact CD1-CE1 4.41Å; F605-F611 AromaticContact CD1-CG 3.75Å; F605-F611 HydrophobicContact CD1-CG 3.75Å; F605-F611 HydrophobicContact CE1-CD1 4.15Å; F605-F611 HydrophobicContact CE1-CE1 4.29Å; F605-F611 HydrophobicContact CE1-CG 4.4Å; H608-F611 HydrophobicContact CB-CD2 4.09Å; H608-F611 HydrophobicContact CB-CE2 4.29Å; H608-F611 PolarHBondContact O-N 3.2Å; P609-F611 VanDerWaalsContact C-N 3.33Å; P609-F611 PolarHBondContact O-N 3.19Å; F611-L613 PolarHBondContact O-N 3.07Å; F611-A614 VanDerWaalsContact O-CB 3.24Å; F611-A614 WeakPolarHBondContact O-CB 3.32Å; F611-A614 PolarHBondContact O-N 3.29Å; F611-L619 HydrophobicContact CB-CD2 4.26Å; F611-L622 HydrophobicContact CD1-CD1 3.86Å; F611-L622 HydrophobicContact CE1-CD1 3.81Å; F611-F626 HydrophobicContact CZ-CZ 4.2Å; F611-F649 HydrophobicContact CE2-CD1 4.41Å; F611-F649 AromaticContact CE2-CE1 3.7Å; F611-F649 HydrophobicContact CE2-CE1 3.7Å; F611-F649 AromaticContact CE2-CZ 3.99Å; F611-F649 HydrophobicContact CE2-CZ 3.99Å; F611-F649 AromaticContact CZ-CE1 3.93Å; F611-F649 HydrophobicContact CZ-CE1 3.93Å; F611-F649 HydrophobicContact CZ-CE2 4.49Å; F611-F649 AromaticContact CZ-CZ 3.7Å; F611-F649 HydrophobicContact CZ-CZ 3.7Å; F611-F717 HydrophobicContact CD1-CZ 4.19Å; F611-F721 HydrophobicContact CD1-CE2 4.48Å; F611-F721 HydrophobicContact CE1-CD2 4.23Å; F611-F721 AromaticContact CE1-CE2 3.65Å; F611-F721 HydrophobicContact CE1-CE2 3.65Å; F611-F721 AromaticContact CZ-CE2 3.86Å; F611-F721 HydrophobicContact CZ-CE2 3.86Å |
| 612 | R | 89.6 | Confident | 92.2 | Very high | 225 Ų | 225 | 53.3 Ų | 53.3 | 85% | 0.849 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.5 | -178.9 | -175 | 173.7 | 176.1 | -173.8 | -0.6 | 114.4 | ||
| 613 | L | 90.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 9.3 | 177.3 | -68.7 | 170.2 | 0 | 0 | 0 | 113.5 | F611 S720 | F611-L613 PolarHBondContact O-N 3.07Å; L613-S720 VanDerWaalsContact CD1-OG 3.25Å; L613-S720 WeakPolarHBondContact CD1-OG 3.28Å |
| 614 | A | 91.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -75.5 | 143.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F611 C618 L619 F717 | F611-A614 VanDerWaalsContact O-CB 3.24Å; F611-A614 WeakPolarHBondContact O-CB 3.32Å; F611-A614 PolarHBondContact O-N 3.29Å; A614-C618 HydrophobicContact CB-CB 4.33Å; A614-L619 HydrophobicContact CB-CD2 3.69Å; A614-L619 HydrophobicContact CB-CG 3.78Å; A614-F717 HydrophobicContact CB-CD2 3.98Å; A614-F717 HydrophobicContact CB-CE2 3.59Å; A614-F717 HydrophobicContact CB-CZ 3.92Å | ||
| 615 | S | 93.2 | Very high | 92.4 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | trans | -75.7 | 156.8 | 169 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | G617 C618 L619 | S615-G617 PolarHBondContact O-N 3.45Å; S615-C618 CarbonylContact O-C 3.58Å; S615-C618 WeakPolarHBondContact O-CA 3.37Å; S615-C618 WeakPolarHBondContact O-CB 3.46Å; S615-C618 PolarHBondContact O-N 2.89Å; S615-C618 WeakPolarHBondContact OG-CB 3.47Å; S615-C618 PolarHBondContact OG-N 2.85Å; S615-L619 PolarHBondContact O-N 3.28Å | ||
| 616 | D | 91.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.2 | -39.5 | 177.5 | -172.1 | 97.9 | 0 | 0 | 0 | 112 | L619 R620 R1163 | D616-L619 PolarHBondContact O-N 2.78Å; D616-R620 WeakPolarHBondContact O-CG 3.38Å; D616-R620 PolarHBondContact O-N 3.04Å; D616-R620 IonicContact OD1-NH2 3.91Å; D616-R620 IonicContact OD2-CZ 3.03Å; D616-R620 IonicContact OD2-NE 2.75Å; D616-R620 PolarHBondContact OD2-NE 3.49Å; D616-R620 IonicContact OD2-NH2 3.7Å; D616-R620 PolarHBondContact OD2-NH2 3.11Å; D616-R1163 IonicContact OD1-CZ 3.92Å; D616-R1163 IonicContact OD1-NE 3.33Å; D616-R1163 IonicContact OD1-NH2 2.72Å; D616-R1163 PolarHBondContact OD1-NH2 2.83Å |
| 617 | G | 92.2 | Very high | 92.4 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S615 R620 A621 Y714 | S615-G617 PolarHBondContact O-N 3.45Å; G617-R620 PolarHBondContact O-N 3.46Å; G617-A621 WeakPolarHBondContact O-CB 3.07Å; G617-A621 PolarHBondContact O-N 3.48Å; G617-Y714 PolarHBondContact O-OH 3.35Å |
| 618 | C | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 174.5 | -173 | 0 | 0 | 0 | 0 | 111.4 | A614 S615 R620 A621 L622 Y714 F717 | A614-C618 HydrophobicContact CB-CB 4.33Å; S615-C618 CarbonylContact O-C 3.58Å; S615-C618 WeakPolarHBondContact O-CA 3.37Å; S615-C618 WeakPolarHBondContact O-CB 3.46Å; S615-C618 PolarHBondContact O-N 2.89Å; S615-C618 WeakPolarHBondContact OG-CB 3.47Å; S615-C618 PolarHBondContact OG-N 2.85Å; C618-R620 PolarHBondContact O-N 3.41Å; C618-A621 PolarHBondContact O-N 2.88Å; C618-L622 WeakPolarHBondContact O-CG 3.41Å; C618-L622 PolarHBondContact O-N 3.38Å; C618-Y714 HydrophobicContact CB-CD1 4.13Å; C618-Y714 HydrophobicContact CB-CD2 3.83Å; C618-Y714 HydrophobicContact CB-CE1 4.2Å; C618-Y714 HydrophobicContact CB-CE2 3.9Å; C618-Y714 HydrophobicContact CB-CG 3.95Å; C618-Y714 VanDerWaalsContact SG-CD2 3.6Å; C618-F717 VanDerWaalsContact SG-CD1 3.54Å |
| 619 | L | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 172.8 | -68.1 | 174.1 | 0 | 0 | 0 | 111.5 | I598 F605 F611 A614 S615 D616 A621 L622 A623 | I598-L619 HydrophobicContact CD1-CB 4.21Å; F605-L619 HydrophobicContact CB-CD2 4.23Å; F605-L619 HydrophobicContact CD1-CD2 3.71Å; F605-L619 HydrophobicContact CD2-CD2 4.32Å; F605-L619 HydrophobicContact CE1-CD2 4.09Å; F605-L619 HydrophobicContact CG-CD2 3.84Å; F611-L619 HydrophobicContact CB-CD2 4.26Å; A614-L619 HydrophobicContact CB-CD2 3.69Å; A614-L619 HydrophobicContact CB-CG 3.78Å; S615-L619 PolarHBondContact O-N 3.28Å; D616-L619 PolarHBondContact O-N 2.78Å; L619-A621 VanDerWaalsContact C-N 3.34Å; L619-A621 PolarHBondContact O-N 3.28Å; L619-L622 PolarHBondContact O-N 2.99Å; L619-A623 WeakPolarHBondContact O-CB 3.3Å; L619-A623 PolarHBondContact O-N 3.31Å |
| 620 | R | 93.7 | Very high | 92.2 | Very high | 59 Ų | 59 | 49 Ų | 49 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -43 | 173.6 | -73 | 176.9 | -167.2 | -80.5 | -24.7 | 112.2 | A594 D595 I598 D616 G617 C618 V624 | A594-R620 HydrophobicContact CB-CB 4Å; A594-R620 HydrophobicContact CB-CG 3.93Å; D595-R620 IonicContact OD1-CZ 3.74Å; D595-R620 IonicContact OD1-NH1 3.91Å; D595-R620 PolarHBondContact OD1-NH1 3.44Å; D595-R620 VanDerWaalsContact OD1-NH1 3.15Å; D595-R620 IonicContact OD1-NH2 3.47Å; D595-R620 PolarHBondContact OD1-NH2 3.47Å; D595-R620 IonicContact OD2-CZ 3.92Å; D595-R620 IonicContact OD2-NH1 2.75Å; D595-R620 PolarHBondContact OD2-NH1 2.9Å; D595-R620 IonicContact OD2-NH2 2.58Å; I598-R620 HydrophobicContact CD1-CB 4.37Å; I598-R620 HydrophobicContact CD1-CG 3.56Å; D616-R620 WeakPolarHBondContact O-CG 3.38Å; D616-R620 PolarHBondContact O-N 3.04Å; D616-R620 IonicContact OD1-NH2 3.91Å; D616-R620 IonicContact OD2-CZ 3.03Å; D616-R620 IonicContact OD2-NE 2.75Å; D616-R620 PolarHBondContact OD2-NE 3.49Å; D616-R620 IonicContact OD2-NH2 3.7Å; D616-R620 PolarHBondContact OD2-NH2 3.11Å; G617-R620 PolarHBondContact O-N 3.46Å; C618-R620 PolarHBondContact O-N 3.41Å; R620-V624 WeakPolarHBondContact O-CG2 3.42Å; R620-V624 PolarHBondContact O-N 2.99Å |
| 621 | A | 94.1 | Very high | 92 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 26% | 0.256 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | G617 C618 L619 N625 V710 Y714 | G617-A621 WeakPolarHBondContact O-CB 3.07Å; G617-A621 PolarHBondContact O-N 3.48Å; C618-A621 PolarHBondContact O-N 2.88Å; L619-A621 VanDerWaalsContact C-N 3.34Å; L619-A621 PolarHBondContact O-N 3.28Å; A621-N625 PolarHBondContact O-ND2 3.34Å; A621-V710 HydrophobicContact CB-CG1 4.02Å; A621-V710 HydrophobicContact CB-CG2 4.2Å; A621-Y714 HydrophobicContact CB-CE2 3.94Å |
| 622 | L | 95 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -50.4 | 172.6 | -71.1 | 169.2 | 0 | 0 | 0 | 111.2 | F605 F611 C618 L619 V624 N625 F626 I702 L707 V710 F717 | F605-L622 HydrophobicContact CE1-CB 4.2Å; F605-L622 HydrophobicContact CE1-CD1 4.45Å; F605-L622 HydrophobicContact CZ-CB 4.13Å; F611-L622 HydrophobicContact CD1-CD1 3.86Å; F611-L622 HydrophobicContact CE1-CD1 3.81Å; C618-L622 WeakPolarHBondContact O-CG 3.41Å; C618-L622 PolarHBondContact O-N 3.38Å; L619-L622 PolarHBondContact O-N 2.99Å; L622-V624 VanDerWaalsContact C-N 3.3Å; L622-V624 PolarHBondContact O-N 3.13Å; L622-N625 CarbonylContact O-C 3.59Å; L622-N625 WeakPolarHBondContact O-CA 3.45Å; L622-N625 PolarHBondContact O-N 2.78Å; L622-F626 HydrophobicContact CB-CD2 4.35Å; L622-F626 HydrophobicContact CB-CE2 4.22Å; L622-F626 WeakPolarHBondContact O-CD2 3.5Å; L622-F626 PolarHBondContact O-N 3.25Å; L622-I702 HydrophobicContact CD2-CD1 4.01Å; L622-L707 HydrophobicContact CD2-CD1 4Å; L622-V710 HydrophobicContact CD2-CB 4.17Å; L622-V710 HydrophobicContact CD2-CG1 3.78Å; L622-V710 HydrophobicContact CG-CG1 3.94Å; L622-F717 HydrophobicContact CD1-CE1 4.21Å |
| 623 | A | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -36.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C597 I598 N601 F605 L619 N625 F626 | C597-A623 HydrophobicContact CB-CB 3.76Å; C597-A623 WeakPolarHBondContact CB-O 3.4Å; I598-A623 HydrophobicContact CG1-CB 3.69Å; N601-A623 PolarHBondContact ND2-O 3.42Å; F605-A623 HydrophobicContact CE2-CB 3.71Å; F605-A623 HydrophobicContact CZ-CB 3.88Å; L619-A623 WeakPolarHBondContact O-CB 3.3Å; L619-A623 PolarHBondContact O-N 3.31Å; A623-N625 PolarHBondContact O-N 3.19Å; A623-F626 PolarHBondContact O-N 3.25Å |
| 624 | V | 92.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.6 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | A594 C597 R620 L622 | A594-V624 HydrophobicContact CB-CG2 3.98Å; C597-V624 HydrophobicContact CB-CG2 4.36Å; R620-V624 WeakPolarHBondContact O-CG2 3.42Å; R620-V624 PolarHBondContact O-N 2.99Å; L622-V624 VanDerWaalsContact C-N 3.3Å; L622-V624 PolarHBondContact O-N 3.13Å |
| 625 | N | 93.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -1.5 | 178.2 | -65.3 | -20.3 | 0 | 0 | 0 | 113.5 | A621 L622 A623 I702 C706 | A621-N625 PolarHBondContact O-ND2 3.34Å; L622-N625 CarbonylContact O-C 3.59Å; L622-N625 WeakPolarHBondContact O-CA 3.45Å; L622-N625 PolarHBondContact O-N 2.78Å; A623-N625 PolarHBondContact O-N 3.19Å; N625-I702 HydrophobicContact CB-CD1 4.25Å; N625-I702 HydrophobicContact CB-CG1 4.47Å; N625-C706 HydrophobicContact CB-CB 3.89Å |
| 626 | F | 93.5 | Very high | 91.2 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.1 | 173.8 | -95.3 | -77.9 | 0 | 0 | 0 | 110.6 | N601 V604 F605 F611 L622 A623 F649 H700 C701 I702 | N601-F626 VanDerWaalsContact OD1-CB 3.27Å; N601-F626 WeakPolarHBondContact OD1-CB 3.49Å; V604-F626 HydrophobicContact CG1-CE1 4.48Å; V604-F626 HydrophobicContact CG1-CZ 4.21Å; F605-F626 HydrophobicContact CE1-CD2 4.22Å; F605-F626 AromaticContact CE1-CE2 3.82Å; F605-F626 HydrophobicContact CE1-CE2 3.82Å; F605-F626 HydrophobicContact CZ-CD2 4Å; F605-F626 HydrophobicContact CZ-CE2 4.08Å; F611-F626 HydrophobicContact CZ-CZ 4.2Å; L622-F626 HydrophobicContact CB-CD2 4.35Å; L622-F626 HydrophobicContact CB-CE2 4.22Å; L622-F626 WeakPolarHBondContact O-CD2 3.5Å; L622-F626 PolarHBondContact O-N 3.25Å; A623-F626 PolarHBondContact O-N 3.25Å; F626-F649 AromaticContact CE1-CD2 3.69Å; F626-F649 HydrophobicContact CE1-CD2 3.69Å; F626-F649 AromaticContact CE1-CE2 3.76Å; F626-F649 HydrophobicContact CE1-CE2 3.76Å; F626-F649 HydrophobicContact CZ-CD2 4.08Å; F626-F649 AromaticContact CZ-CE2 3.74Å; F626-F649 HydrophobicContact CZ-CE2 3.74Å; F626-F649 HydrophobicContact CZ-CZ 4.4Å; F626-H700 HydrophobicContact CD1-CB 4.29Å; F626-C701 WeakPolarHBondContact CA-O 3.26Å; F626-I702 HydrophobicContact CD1-CB 3.9Å; F626-I702 HydrophobicContact CD1-CG2 4.45Å; F626-I702 HydrophobicContact CD2-CB 4.49Å; F626-I702 HydrophobicContact CD2-CD1 4.1Å; F626-I702 HydrophobicContact CE1-CB 3.79Å; F626-I702 HydrophobicContact CE1-CG2 3.83Å; F626-I702 HydrophobicContact CE2-CB 4.39Å; F626-I702 HydrophobicContact CE2-CD1 3.98Å; F626-I702 HydrophobicContact CG-CB 4.25Å; F626-I702 HydrophobicContact CZ-CB 4.05Å; F626-I702 HydrophobicContact CZ-CD1 4.39Å; F626-I702 HydrophobicContact CZ-CG2 3.87Å |
| 627 | N | 91.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.9 | 172.2 | -64.8 | -26 | 0 | 0 | 0 | 109.5 | C701 | N627-C701 PolarHBondContact N-O 3.09Å; N627-C701 PolarHBondContact O-N 3.27Å |
| 628 | T | 90.1 | Very high | 91.3 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 44% | 0.436 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129.1 | 166.4 | -57.6 | 0 | 0 | 0 | 0 | 109 | L699 H700 | T628-L699 CarbonylContact C-O 3.49Å; T628-L699 WeakPolarHBondContact CA-O 3.43Å; T628-H700 PolarHBondContact OG1-CE1 3.29Å; T628-H700 PolarHBondContact OG1-NE2 3Å |
| 629 | I | 89.3 | Confident | 91.3 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 32% | 0.323 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.4 | 174.6 | -53.2 | -176.9 | 0 | 0 | 0 | 107.3 | T631 L699 C701 | I629-T631 HydrophobicContact CG2-CG2 4.12Å; I629-L699 PolarHBondContact N-O 3.35Å; I629-L699 PolarHBondContact O-N 3.23Å; I629-C701 HydrophobicContact CD1-CB 4.14Å |
| 630 | H | 87.6 | Confident | 91.2 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.6 | 172.3 | -158.8 | 85.5 | 0 | 0 | 0 | 108.8 | I575 Y696 C697 D698 | I575-H630 WeakPolarHBondContact CD1-NE2 3.2Å; H630-Y696 AromaticContact NE2-CD1 3.84Å; H630-C697 WeakPolarHBondContact CA-O 3.4Å; H630-D698 IonicContact CE1-OD1 2.61Å; H630-D698 PolarHBondContact CE1-OD1 2.99Å; H630-D698 IonicContact CE1-OD2 3.96Å; H630-D698 IonicContact CG-OD1 2.71Å; H630-D698 IonicContact ND1-OD1 3.75Å; H630-D698 PolarHBondContact ND1-OD1 3.09Å; H630-D698 IonicContact ND1-OD2 3.69Å |
| 631 | T | 87.3 | Confident | 91.1 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.1 | -177.4 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | I629 I637 Y696 C697 | I629-T631 HydrophobicContact CG2-CG2 4.12Å; T631-I637 HydrophobicContact CG2-CG1 4Å; T631-Y696 WeakPolarHBondContact O-CA 3.38Å; T631-C697 PolarHBondContact N-O 3.09Å; T631-C697 PolarHBondContact O-N 2.91Å; T631-C697 WeakPolarHBondContact OG1-CB 3.33Å; T631-C697 PolarHBondContact OG1-O 2.88Å |
| 632 | A | 86.5 | Confident | 91 | Very high | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | trans | -94 | 160.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G634 D635 A693 Y696 | A632-G634 PolarHBondContact O-N 3.15Å; A632-D635 WeakPolarHBondContact CA-OD2 3.4Å; A632-D635 WeakPolarHBondContact CB-OD2 3.49Å; A632-D635 PolarHBondContact N-OD2 3.11Å; A632-D635 VanDerWaalsContact O-CB 3.3Å; A632-D635 WeakPolarHBondContact O-CB 3.45Å; A632-D635 PolarHBondContact O-N 2.83Å; A632-A693 WeakPolarHBondContact O-CB 3.3Å; A632-Y696 HydrophobicContact CB-CD1 4.26Å; A632-Y696 HydrophobicContact CB-CE1 3.89Å | ||
| 633 | P | 87.8 | Confident | 90.9 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 126.2 | 175.1 | -24 | 32 | 0 | 0 | 0 | 112.3 | Y696 F1306 | P633-Y696 HydrophobicContact CG-CD2 4.14Å; P633-Y696 HydrophobicContact CG-CE2 4.03Å; P633-Y696 HydrophobicContact CG-CG 4.49Å; P633-F1306 HydrophobicContact CB-CE2 4.34Å; P633-F1306 HydrophobicContact CG-CE2 3.9Å; P633-F1306 HydrophobicContact CG-CZ 4.06Å |
| 634 | G | 86.8 | Confident | 90.8 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R564 A632 A693 | R564-G634 VanDerWaalsContact NH2-C 3.31Å; R564-G634 PolarHBondContact NH2-O 3.27Å; A632-G634 PolarHBondContact O-N 3.15Å; G634-A693 PolarHBondContact N-O 3.37Å |
| 635 | D | 87.9 | Confident | 90.8 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | trans | -70.8 | 144 | 172.6 | -71.6 | -19.7 | 0 | 0 | 0 | 112.4 | R564 A632 R692 A693 | R564-D635 IonicContact CZ-OD1 2.79Å; R564-D635 IonicContact NE-OD1 3.25Å; R564-D635 VanDerWaalsContact NH2-CA 3.33Å; R564-D635 IonicContact NH2-OD1 3.76Å; R564-D635 PolarHBondContact NH2-OD1 3.39Å; A632-D635 WeakPolarHBondContact CA-OD2 3.4Å; A632-D635 WeakPolarHBondContact CB-OD2 3.49Å; A632-D635 PolarHBondContact N-OD2 3.11Å; A632-D635 VanDerWaalsContact O-CB 3.3Å; A632-D635 WeakPolarHBondContact O-CB 3.45Å; A632-D635 PolarHBondContact O-N 2.83Å; D635-R692 CarbonylContact O-C 3.58Å; D635-R692 VanDerWaalsContact O-CA 3.26Å; D635-R692 WeakPolarHBondContact O-CA 3.43Å; D635-A693 PolarHBondContact O-N 2.91Å | ||
| 636 | L | 91 | Very high | 90.8 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.3 | -179.9 | -56.8 | 178.9 | 0 | 0 | 0 | 108.5 | H639 T690 V691 R692 | L636-H639 VanDerWaalsContact CD1-CE1 3.47Å; L636-H639 WeakPolarHBondContact CD1-CE1 3.45Å; L636-T690 HydrophobicContact CD1-CG2 4.48Å; L636-T690 HydrophobicContact CD2-CG2 3.92Å; L636-V691 CarbonylContact C-O 3.47Å; L636-V691 WeakPolarHBondContact CA-O 3.41Å; L636-R692 HydrophobicContact CD2-CB 3.66Å; L636-R692 HydrophobicContact CD2-CG 3.76Å |
| 637 | I | 92.6 | Very high | 90.9 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -31.2 | -172 | -66.1 | 142.6 | 0 | 0 | 0 | 111.7 | T631 L655 F673 V691 A693 L699 | T631-I637 HydrophobicContact CG2-CG1 4Å; I637-L655 HydrophobicContact CD1-CD2 3.49Å; I637-L655 VanDerWaalsContact CD1-CD2 3.49Å; I637-L655 HydrophobicContact CD1-CG 4.37Å; I637-F673 HydrophobicContact CG2-CE2 4.14Å; I637-F673 HydrophobicContact CG2-CZ 4.21Å; I637-V691 HydrophobicContact CB-CB 4.41Å; I637-V691 HydrophobicContact CB-CG1 4.33Å; I637-V691 HydrophobicContact CD1-CG1 4.21Å; I637-V691 PolarHBondContact N-O 2.76Å; I637-A693 HydrophobicContact CD1-CB 4.33Å; I637-L699 HydrophobicContact CD1-CD1 3.69Å; I637-L699 HydrophobicContact CG1-CD1 3.95Å; I637-L699 HydrophobicContact CG2-CD1 3.99Å |
| 638 | F | 94 | Very high | 91.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.3 | 167.5 | -73.4 | -71.6 | 0 | 0 | 0 | 108.4 | E642 I644 Q646 F673 T690 V691 L731 | F638-E642 WeakPolarHBondContact CA-OE2 3.36Å; F638-I644 HydrophobicContact CZ-CG2 4.4Å; F638-Q646 HydrophobicContact CE1-CG 4.24Å; F638-Q646 HydrophobicContact CZ-CG 3.7Å; F638-F673 HydrophobicContact CD2-CD2 4.23Å; F638-F673 AromaticContact CD2-CE2 3.86Å; F638-F673 HydrophobicContact CD2-CE2 3.86Å; F638-F673 HydrophobicContact CE2-CD2 4.1Å; F638-F673 AromaticContact CE2-CE2 3.79Å; F638-F673 HydrophobicContact CE2-CE2 3.79Å; F638-T690 CarbonylContact O-C 3.58Å; F638-T690 VanDerWaalsContact O-CA 3.28Å; F638-T690 WeakPolarHBondContact O-CA 3.04Å; F638-T690 WeakPolarHBondContact O-CG2 3.45Å; F638-V691 HydrophobicContact CB-CB 4.42Å; F638-V691 HydrophobicContact CB-CG2 4.29Å; F638-V691 HydrophobicContact CD2-CG2 4.35Å; F638-V691 PolarHBondContact O-N 3.35Å; F638-L731 HydrophobicContact CB-CD1 4.42Å; F638-L731 HydrophobicContact CD2-CD1 3.45Å; F638-L731 VanDerWaalsContact CD2-CD1 3.45Å; F638-L731 HydrophobicContact CE2-CD1 3.68Å; F638-L731 HydrophobicContact CG-CD1 3.95Å; F638-L731 HydrophobicContact CZ-CD1 4.35Å |
| 639 | H | 93.7 | Very high | 91.3 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 43% | 0.431 | 21% | 0.211 | S | C | . | . | trans | -96.4 | 147.4 | 172 | -66.7 | -95.1 | 0 | 0 | 0 | 111.7 | L636 G641 E642 | L636-H639 VanDerWaalsContact CD1-CE1 3.47Å; L636-H639 WeakPolarHBondContact CD1-CE1 3.45Å; H639-G641 PolarHBondContact O-N 3.02Å; H639-G641 VanDerWaalsContact O-N 3.16Å; H639-E642 HydrophobicContact CB-CB 4.24Å; H639-E642 IonicContact CD2-OE2 2.98Å; H639-E642 PolarHBondContact N-OE2 3.04Å; H639-E642 WeakPolarHBondContact O-CB 3.49Å; H639-E642 PolarHBondContact O-N 2.9Å | ||
| 640 | Q | 92.9 | Very high | 91.6 | Very high | 83 Ų | 83 | 33.9 Ų | 33.9 | 39% | 0.388 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 119.2 | 169.7 | -178.5 | 169.1 | -13.5 | 0 | 0 | 109.8 | D660 A688 A689 T690 | Q640-D660 PolarHBondContact NE2-OD1 3.38Å; Q640-D660 VanDerWaalsContact NE2-OD1 3.1Å; Q640-A688 WeakPolarHBondContact CG-O 3.47Å; Q640-A689 PolarHBondContact N-O 2.82Å; Q640-T690 WeakPolarHBondContact CB-OG1 3.32Å; Q640-T690 PolarHBondContact N-OG1 3.43Å |
| 641 | G | 91.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -9.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H639 H686 S687 | H639-G641 PolarHBondContact O-N 3.02Å; H639-G641 VanDerWaalsContact O-N 3.16Å; G641-H686 PolarHBondContact O-ND1 3.22Å; G641-S687 PolarHBondContact N-O 3.37Å |
| 642 | E | 93.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 34.2 Ų | 34.2 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | trans | -74.8 | 148.4 | 179.2 | -172.6 | 166.2 | -157.2 | 0 | 0 | 112.7 | F638 H639 H686 S687 | F638-E642 WeakPolarHBondContact CA-OE2 3.36Å; H639-E642 HydrophobicContact CB-CB 4.24Å; H639-E642 IonicContact CD2-OE2 2.98Å; H639-E642 PolarHBondContact N-OE2 3.04Å; H639-E642 WeakPolarHBondContact O-CB 3.49Å; H639-E642 PolarHBondContact O-N 2.9Å; E642-H686 CarbonylContact O-C 3.58Å; E642-H686 VanDerWaalsContact O-CA 3.28Å; E642-H686 WeakPolarHBondContact O-CA 3.29Å; E642-S687 PolarHBondContact O-N 2.86Å | ||
| 643 | S | 92.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -74 | 126 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112 | D645 | S643-D645 PolarHBondContact O-N 3.25Å |
| 644 | I | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -79.1 | 87.3 | -178.1 | -50.7 | 156.7 | 0 | 0 | 0 | 109.5 | F638 E675 F677 M684 N685 L731 | F638-I644 HydrophobicContact CZ-CG2 4.4Å; I644-E675 HydrophobicContact CD1-CB 4.25Å; I644-E675 HydrophobicContact CG2-CB 4.09Å; I644-F677 HydrophobicContact CG2-CE1 4.16Å; I644-F677 HydrophobicContact CG2-CZ 4.13Å; I644-F677 WeakPolarHBondContact O-CE1 3.31Å; I644-F677 WeakPolarHBondContact O-CZ 3.47Å; I644-M684 VanDerWaalsContact O-SD 3.41Å; I644-N685 PolarHBondContact N-O 2.68Å; I644-L731 HydrophobicContact CD1-CB 3.6Å; I644-L731 HydrophobicContact CG1-CB 4.11Å | ||
| 645 | D | 91.7 | Very high | 93.3 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | trans | -89.8 | -13 | -177.5 | 96.8 | -50.2 | 0 | 0 | 0 | 114.4 | S643 M684 K703 K704 | S643-D645 PolarHBondContact O-N 3.25Å; D645-M684 HydrophobicContact CB-CE 4.18Å; D645-K703 IonicContact OD1-NZ 3.65Å; D645-K703 IonicContact OD2-NZ 3.68Å; D645-K703 PolarHBondContact OD2-NZ 2.72Å; D645-K704 VanDerWaalsContact O-CB 3.28Å; D645-K704 WeakPolarHBondContact O-CB 3.15Å; D645-K704 PolarHBondContact O-N 3.01Å | ||
| 646 | Q | 93.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.7 | -172.7 | 63.4 | -177.1 | -10.9 | 0 | 0 | 112.8 | F638 I702 K703 | F638-Q646 HydrophobicContact CE1-CG 4.24Å; F638-Q646 HydrophobicContact CZ-CG 3.7Å; Q646-I702 WeakPolarHBondContact CA-O 3.43Å; Q646-K703 HydrophobicContact CB-CG 4.49Å |
| 647 | L | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.7 | 174.8 | 175.2 | 69.7 | 0 | 0 | 0 | 108.7 | F649 V672 F677 C701 I702 L707 F721 L725 L727 | L647-F649 HydrophobicContact CD2-CE2 3.65Å; L647-F649 HydrophobicContact CD2-CZ 3.66Å; L647-F649 HydrophobicContact CG-CD2 4.49Å; L647-F649 HydrophobicContact CG-CE2 3.74Å; L647-F649 HydrophobicContact CG-CZ 4.11Å; L647-V672 HydrophobicContact CD1-CG1 3.78Å; L647-V672 HydrophobicContact CG-CG1 4.27Å; L647-F677 HydrophobicContact CB-CD2 4.49Å; L647-F677 HydrophobicContact CB-CE2 3.9Å; L647-C701 WeakPolarHBondContact O-CA 3.45Å; L647-I702 HydrophobicContact CB-CG2 4.09Å; L647-I702 HydrophobicContact CD2-CG2 4.36Å; L647-I702 PolarHBondContact N-O 3.21Å; L647-I702 PolarHBondContact O-N 3.12Å; L647-L707 HydrophobicContact CD2-CD2 3.83Å; L647-F721 HydrophobicContact CD2-CZ 4.39Å; L647-L725 HydrophobicContact CD2-CD2 3.94Å; L647-L727 HydrophobicContact CD1-CD2 3.62Å |
| 648 | C | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.3 | -170 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | V672 F673 | C648-V672 WeakPolarHBondContact O-CA 3.48Å; C648-V672 WeakPolarHBondContact O-CG1 3.46Å; C648-F673 HydrophobicContact CB-CD1 3.85Å; C648-F673 HydrophobicContact CB-CD2 4.07Å; C648-F673 HydrophobicContact CB-CE1 3.42Å; C648-F673 VanDerWaalsContact CB-CE1 3.42Å; C648-F673 HydrophobicContact CB-CE2 3.66Å; C648-F673 HydrophobicContact CB-CG 4.16Å; C648-F673 HydrophobicContact CB-CZ 3.33Å; C648-F673 PolarHBondContact N-O 2.88Å; C648-F673 PolarHBondContact O-N 3.32Å |
| 649 | F | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.8 | 176.3 | -61.1 | -101.8 | 0 | 0 | 0 | 109 | V604 H608 F611 F626 L647 V651 V672 H700 I702 L725 | V604-F649 HydrophobicContact CG1-CB 4.28Å; V604-F649 HydrophobicContact CG1-CD1 3.87Å; V604-F649 HydrophobicContact CG1-CD2 4.4Å; V604-F649 HydrophobicContact CG1-CE1 4.29Å; V604-F649 HydrophobicContact CG1-CG 3.94Å; V604-F649 HydrophobicContact CG2-CB 4.06Å; H608-F649 AromaticContact CD2-CD1 3.73Å; H608-F649 AromaticContact CE1-CD1 3.86Å; H608-F649 AromaticContact NE2-CD1 3.52Å; F611-F649 HydrophobicContact CE2-CD1 4.41Å; F611-F649 AromaticContact CE2-CE1 3.7Å; F611-F649 HydrophobicContact CE2-CE1 3.7Å; F611-F649 AromaticContact CE2-CZ 3.99Å; F611-F649 HydrophobicContact CE2-CZ 3.99Å; F611-F649 AromaticContact CZ-CE1 3.93Å; F611-F649 HydrophobicContact CZ-CE1 3.93Å; F611-F649 HydrophobicContact CZ-CE2 4.49Å; F611-F649 AromaticContact CZ-CZ 3.7Å; F611-F649 HydrophobicContact CZ-CZ 3.7Å; F626-F649 AromaticContact CE1-CD2 3.69Å; F626-F649 HydrophobicContact CE1-CD2 3.69Å; F626-F649 AromaticContact CE1-CE2 3.76Å; F626-F649 HydrophobicContact CE1-CE2 3.76Å; F626-F649 HydrophobicContact CZ-CD2 4.08Å; F626-F649 AromaticContact CZ-CE2 3.74Å; F626-F649 HydrophobicContact CZ-CE2 3.74Å; F626-F649 HydrophobicContact CZ-CZ 4.4Å; L647-F649 HydrophobicContact CD2-CE2 3.65Å; L647-F649 HydrophobicContact CD2-CZ 3.66Å; L647-F649 HydrophobicContact CG-CD2 4.49Å; L647-F649 HydrophobicContact CG-CE2 3.74Å; L647-F649 HydrophobicContact CG-CZ 4.11Å; F649-V651 PolarHBondContact O-N 2.9Å; F649-V672 HydrophobicContact CD1-CB 4.27Å; F649-V672 HydrophobicContact CD1-CG1 3.77Å; F649-V672 HydrophobicContact CD1-CG2 3.5Å; F649-V672 VanDerWaalsContact CD1-CG2 3.5Å; F649-V672 HydrophobicContact CD2-CG1 4.47Å; F649-V672 HydrophobicContact CE1-CB 4.45Å; F649-V672 HydrophobicContact CE1-CG1 3.72Å; F649-V672 HydrophobicContact CE1-CG2 3.79Å; F649-V672 HydrophobicContact CE2-CG1 4.43Å; F649-V672 HydrophobicContact CG-CG1 4.16Å; F649-V672 HydrophobicContact CG-CG2 4.38Å; F649-V672 HydrophobicContact CZ-CG1 4.07Å; F649-H700 HydrophobicContact CB-CB 4.41Å; F649-H700 WeakPolarHBondContact CD2-O 3.48Å; F649-H700 PolarHBondContact N-O 2.86Å; F649-H700 PolarHBondContact O-N 2.71Å; F649-I702 HydrophobicContact CE2-CG2 4.22Å; F649-L725 HydrophobicContact CE1-CD1 4.05Å; F649-L725 HydrophobicContact CZ-CD2 4.29Å |
| 650 | V | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.5 | -178.2 | -175 | 0 | 0 | 0 | 0 | 109.6 | L655 L667 G668 R669 G670 D671 F673 L699 | V650-L655 HydrophobicContact CB-CD1 4.4Å; V650-L655 HydrophobicContact CG1-CD1 3.66Å; V650-L655 HydrophobicContact CG2-CD1 3.76Å; V650-L667 HydrophobicContact CG2-CB 4.36Å; V650-G668 VanDerWaalsContact CB-O 3.28Å; V650-G668 WeakPolarHBondContact CB-O 3.21Å; V650-G668 VanDerWaalsContact CG1-O 3.31Å; V650-G668 WeakPolarHBondContact CG1-O 3.39Å; V650-R669 WeakPolarHBondContact O-CA 3.48Å; V650-G670 PolarHBondContact O-N 2.92Å; V650-D671 HydrophobicContact CG2-CB 4.46Å; V650-D671 PolarHBondContact N-O 2.62Å; V650-F673 HydrophobicContact CG2-CD1 4.01Å; V650-F673 HydrophobicContact CG2-CE1 3.66Å; V650-L699 HydrophobicContact CB-CD2 4.35Å; V650-L699 HydrophobicContact CG1-CD2 4.38Å; V650-L699 HydrophobicContact CG2-CD2 3.96Å |
| 651 | V | 93.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -32.3 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | M603 V604 F649 R669 D698 H700 | M603-V651 HydrophobicContact CB-CG1 3.63Å; M603-V651 HydrophobicContact CB-CG2 4.11Å; M603-V651 HydrophobicContact CG-CG1 3.67Å; V604-V651 HydrophobicContact CG2-CG2 3.65Å; F649-V651 PolarHBondContact O-N 2.9Å; V651-R669 VanDerWaalsContact O-CD 3.31Å; V651-R669 WeakPolarHBondContact O-CD 3.49Å; V651-R669 VanDerWaalsContact O-CG 3.31Å; V651-R669 WeakPolarHBondContact O-CG 3.38Å; V651-D698 HydrophobicContact CB-CB 4.34Å; V651-D698 PolarHBondContact N-O 3.4Å; V651-H700 HydrophobicContact CG2-CB 4.23Å; V651-H700 WeakPolarHBondContact CG2-CD2 3.32Å |
| 652 | S | 92.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 155.8 | 176.4 | -163.2 | 0 | 0 | 0 | 0 | 111.5 | C697 D698 | S652-C697 WeakPolarHBondContact O-CA 3.09Å; S652-D698 VanDerWaalsContact CB-OD2 3.31Å; S652-D698 WeakPolarHBondContact CB-OD2 3.48Å; S652-D698 PolarHBondContact N-O 3.03Å; S652-D698 PolarHBondContact O-N 2.86Å; S652-D698 VanDerWaalsContact O-N 3.09Å |
| 653 | G | 92.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 84.6 | -168.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T695 Y696 | G653-T695 WeakPolarHBondContact CA-OG1 3.31Å; G653-Y696 WeakPolarHBondContact CA-O 3.39Å |
| 654 | S | 96 | Very high | 93.8 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 37% | 0.371 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.9 | 179.2 | -63 | 0 | 0 | 0 | 0 | 111.6 | L667 L694 T695 C697 | S654-L667 CarbonylContact C-O 3.52Å; S654-L667 VanDerWaalsContact CA-O 3.31Å; S654-L667 WeakPolarHBondContact CA-O 3.43Å; S654-L694 WeakPolarHBondContact O-CB 3.14Å; S654-L694 PolarHBondContact O-N 3.36Å; S654-T695 PolarHBondContact N-OG1 3.43Å; S654-C697 PolarHBondContact N-SG 3.05Å; S654-C697 VanDerWaalsContact N-SG 3.39Å; S654-C697 PolarHBondContact O-SG 2.85Å |
| 655 | L | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.6 | -177 | -60.2 | 79.3 | 0 | 0 | 0 | 112.8 | I637 V650 F666 L667 F673 V691 R692 C697 L699 | I637-L655 HydrophobicContact CD1-CD2 3.49Å; I637-L655 VanDerWaalsContact CD1-CD2 3.49Å; I637-L655 HydrophobicContact CD1-CG 4.37Å; V650-L655 HydrophobicContact CB-CD1 4.4Å; V650-L655 HydrophobicContact CG1-CD1 3.66Å; V650-L655 HydrophobicContact CG2-CD1 3.76Å; L655-F666 CarbonylContact O-C 3.55Å; L655-F666 WeakPolarHBondContact O-CA 3.33Å; L655-L667 HydrophobicContact CB-CB 4.22Å; L655-L667 PolarHBondContact N-O 2.86Å; L655-L667 PolarHBondContact O-N 3.02Å; L655-F673 HydrophobicContact CD2-CE1 3.99Å; L655-F673 HydrophobicContact CD2-CZ 3.81Å; L655-V691 HydrophobicContact CB-CG1 4.47Å; L655-V691 HydrophobicContact CD2-CG1 3.81Å; L655-R692 CarbonylContact C-O 3.56Å; L655-R692 VanDerWaalsContact CA-O 3.28Å; L655-R692 WeakPolarHBondContact CA-O 3.4Å; L655-R692 WeakPolarHBondContact CB-O 3.38Å; L655-C697 HydrophobicContact CD1-CB 4.38Å; L655-L699 HydrophobicContact CD1-CD2 4.22Å; L655-L699 HydrophobicContact CD2-CD1 4.38Å; L655-L699 HydrophobicContact CD2-CD2 4.09Å |
| 656 | E | 96.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.8 | 158.6 | 142.7 | -72.9 | 61.8 | 0 | 0 | 115 | I658 I663 F666 V691 R692 L694 | E656-I658 HydrophobicContact CG-CD1 4.43Å; E656-I658 HydrophobicContact CG-CG1 3.95Å; E656-I663 HydrophobicContact CB-CG2 4.24Å; E656-I663 HydrophobicContact CG-CB 4.29Å; E656-I663 HydrophobicContact CG-CD1 3.91Å; E656-I663 HydrophobicContact CG-CG1 3.75Å; E656-I663 HydrophobicContact CG-CG2 3.64Å; E656-I663 WeakPolarHBondContact OE2-CD1 3.35Å; E656-F666 HydrophobicContact CB-CD1 3.56Å; E656-F666 HydrophobicContact CB-CE1 3.7Å; E656-F666 HydrophobicContact CG-CD1 4.39Å; E656-F666 HydrophobicContact CG-CE1 4.05Å; E656-V691 CarbonylContact O-C 3.3Å; E656-V691 WeakPolarHBondContact O-CA 3.32Å; E656-R692 WeakPolarHBondContact CA-O 3.21Å; E656-R692 PolarHBondContact N-O 3.14Å; E656-R692 PolarHBondContact O-N 3.2Å; E656-R692 IonicContact OE1-CZ 2.7Å; E656-R692 VanDerWaalsContact OE1-CZ 3.25Å; E656-R692 IonicContact OE1-NE 2.77Å; E656-R692 PolarHBondContact OE1-NE 3.34Å; E656-R692 IonicContact OE1-NH2 3.24Å; E656-R692 PolarHBondContact OE1-NH2 3.02Å; E656-R692 IonicContact OE2-CZ 3.28Å; E656-R692 IonicContact OE2-NE 3.15Å; E656-R692 IonicContact OE2-NH2 2.89Å; E656-R692 PolarHBondContact OE2-NH2 2.82Å; E656-L694 HydrophobicContact CB-CD1 4.17Å; E656-L694 HydrophobicContact CB-CG 4.33Å |
| 657 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.8 | 157.1 | -169.9 | 0 | 0 | 0 | 0 | 109 | I663 V664 A665 L667 A689 V691 Y729 | V657-I663 WeakPolarHBondContact O-CA 3.43Å; V657-V664 HydrophobicContact CB-CG2 4.08Å; V657-V664 HydrophobicContact CG1-CG2 3.73Å; V657-V664 WeakPolarHBondContact O-CG2 3.29Å; V657-V664 PolarHBondContact O-N 3.23Å; V657-A665 HydrophobicContact CB-CB 4.08Å; V657-A665 HydrophobicContact CG2-CB 4.15Å; V657-A665 PolarHBondContact N-O 3.1Å; V657-A665 PolarHBondContact O-N 3.06Å; V657-L667 HydrophobicContact CG2-CD1 3.77Å; V657-L667 HydrophobicContact CG2-CD2 4.5Å; V657-L667 HydrophobicContact CG2-CG 3.9Å; V657-A689 HydrophobicContact CG1-CB 3.87Å; V657-V691 HydrophobicContact CG1-CG2 4.47Å; V657-V691 HydrophobicContact CG2-CG2 4.48Å; V657-Y729 HydrophobicContact CG1-CD1 4.24Å; V657-Y729 HydrophobicContact CG1-CD2 4.28Å; V657-Y729 HydrophobicContact CG1-CE1 4.03Å; V657-Y729 HydrophobicContact CG1-CE2 4.04Å; V657-Y729 HydrophobicContact CG1-CG 4.37Å |
| 658 | I | 95.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.5 | -170.1 | -52.3 | 173.1 | 0 | 0 | 0 | 109.4 | E656 E662 A689 T690 R692 | E656-I658 HydrophobicContact CG-CD1 4.43Å; E656-I658 HydrophobicContact CG-CG1 3.95Å; I658-E662 CarbonylContact C-O 3.43Å; I658-E662 WeakPolarHBondContact CA-O 3.45Å; I658-A689 CarbonylContact O-C 3.59Å; I658-A689 WeakPolarHBondContact O-CA 3.34Å; I658-A689 WeakPolarHBondContact O-CB 3.46Å; I658-T690 PolarHBondContact N-O 3.07Å; I658-T690 PolarHBondContact O-N 3.16Å; I658-R692 HydrophobicContact CD1-CB 4.44Å |
| 659 | Q | 94 | Very high | 94.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.9 | 172.7 | -164.5 | -165.5 | -71.5 | 0 | 0 | 109.2 | D661 E662 V664 A688 A689 L735 F737 | Q659-D661 PolarHBondContact O-N 2.92Å; Q659-E662 PolarHBondContact N-O 3.07Å; Q659-E662 PolarHBondContact O-N 2.81Å; Q659-V664 HydrophobicContact CB-CG1 3.72Å; Q659-V664 HydrophobicContact CB-CG2 4.1Å; Q659-A688 WeakPolarHBondContact CG-O 3.43Å; Q659-A689 HydrophobicContact CB-CB 4.13Å; Q659-A689 HydrophobicContact CG-CB 4.42Å; Q659-L735 PolarHBondContact NE2-O 2.88Å; Q659-F737 HydrophobicContact CB-CE1 4.24Å; Q659-F737 HydrophobicContact CB-CZ 4.25Å; Q659-F737 HydrophobicContact CG-CE1 4.42Å; Q659-F737 WeakPolarHBondContact O-CZ 3.39Å |
| 660 | D | 90.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43.2 | 174.2 | -45 | -43.1 | 0 | 0 | 0 | 113 | Q640 E662 R734 F737 K739 | Q640-D660 PolarHBondContact NE2-OD1 3.38Å; Q640-D660 VanDerWaalsContact NE2-OD1 3.1Å; D660-E662 PolarHBondContact O-N 2.94Å; D660-R734 IonicContact OD1-CZ 2.75Å; D660-R734 VanDerWaalsContact OD1-CZ 3.24Å; D660-R734 IonicContact OD1-NH1 2.8Å; D660-R734 PolarHBondContact OD1-NH1 2.88Å; D660-R734 IonicContact OD1-NH2 2.69Å; D660-R734 PolarHBondContact OD1-NH2 2.71Å; D660-R734 IonicContact OD2-CZ 4Å; D660-R734 VanDerWaalsContact OD2-CZ 3.28Å; D660-R734 IonicContact OD2-NH1 3.83Å; D660-R734 PolarHBondContact OD2-NH1 3.14Å; D660-R734 VanDerWaalsContact OD2-NH1 3.15Å; D660-R734 IonicContact OD2-NH2 2.82Å; D660-R734 PolarHBondContact OD2-NH2 3.45Å; D660-F737 HydrophobicContact CB-CZ 4.2Å; D660-K739 WeakPolarHBondContact O-CE 3.34Å; D660-K739 PolarHBondContact O-NZ 3.35Å |
| 661 | D | 89.4 | Confident | 93.9 | Very high | 145 Ų | 145 | 46.4 Ų | 46.4 | 78% | 0.775 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 11.9 | -174.1 | -40.4 | -52.1 | 0 | 0 | 0 | 116.5 | Q659 | Q659-D661 PolarHBondContact O-N 2.92Š|
| 662 | E | 92 | Very high | 94 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 143.2 | 171.4 | -58.2 | -63.1 | 147.4 | 0 | 0 | 110.9 | I658 Q659 D660 V664 F737 K739 | I658-E662 CarbonylContact C-O 3.43Å; I658-E662 WeakPolarHBondContact CA-O 3.45Å; Q659-E662 PolarHBondContact N-O 3.07Å; Q659-E662 PolarHBondContact O-N 2.81Å; D660-E662 PolarHBondContact O-N 2.94Å; E662-V664 PolarHBondContact O-N 3.1Å; E662-F737 HydrophobicContact CB-CE2 3.98Å; E662-F737 HydrophobicContact CB-CZ 4.14Å; E662-F737 HydrophobicContact CG-CD2 4.45Å; E662-F737 HydrophobicContact CG-CE2 3.68Å; E662-F737 HydrophobicContact CG-CZ 4.3Å; E662-K739 HydrophobicContact CG-CG 4.11Å; E662-K739 VanDerWaalsContact OE1-CD 3.3Å; E662-K739 WeakPolarHBondContact OE1-CD 3.36Å; E662-K739 WeakPolarHBondContact OE1-CE 3.29Å; E662-K739 WeakPolarHBondContact OE1-CG 3.39Å; E662-K739 IonicContact OE1-NZ 3.03Å; E662-K739 PolarHBondContact OE1-NZ 3.37Å |
| 663 | I | 93.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 43.2 Ų | 43.2 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.2 | 172.2 | -59.6 | 169.6 | 0 | 0 | 0 | 108.6 | E656 V657 F666 | E656-I663 HydrophobicContact CB-CG2 4.24Å; E656-I663 HydrophobicContact CG-CB 4.29Å; E656-I663 HydrophobicContact CG-CD1 3.91Å; E656-I663 HydrophobicContact CG-CG1 3.75Å; E656-I663 HydrophobicContact CG-CG2 3.64Å; E656-I663 WeakPolarHBondContact OE2-CD1 3.35Å; V657-I663 WeakPolarHBondContact O-CA 3.43Å; I663-F666 HydrophobicContact CD1-CZ 4.26Å; I663-F666 HydrophobicContact CG2-CE1 4.06Å; I663-F666 HydrophobicContact CG2-CE2 4.01Å; I663-F666 HydrophobicContact CG2-CZ 3.75Å |
| 664 | V | 92.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -26.1 | -176.7 | -70.1 | 0 | 0 | 0 | 0 | 113.9 | V657 Q659 E662 Y729 L735 F737 | V657-V664 HydrophobicContact CB-CG2 4.08Å; V657-V664 HydrophobicContact CG1-CG2 3.73Å; V657-V664 WeakPolarHBondContact O-CG2 3.29Å; V657-V664 PolarHBondContact O-N 3.23Å; Q659-V664 HydrophobicContact CB-CG1 3.72Å; Q659-V664 HydrophobicContact CB-CG2 4.1Å; E662-V664 PolarHBondContact O-N 3.1Å; V664-Y729 HydrophobicContact CB-CE2 4.42Å; V664-Y729 HydrophobicContact CG2-CE2 3.79Å; V664-L735 HydrophobicContact CB-CD1 3.79Å; V664-L735 HydrophobicContact CG1-CD1 4.11Å; V664-L735 HydrophobicContact CG2-CD1 4.31Å; V664-F737 HydrophobicContact CG1-CD1 4.43Å; V664-F737 HydrophobicContact CG1-CE1 3.71Å; V664-F737 HydrophobicContact CG1-CZ 4.23Å |
| 665 | A | 94 | Very high | 93.9 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 158.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V657 Y729 | V657-A665 HydrophobicContact CB-CB 4.08Å; V657-A665 HydrophobicContact CG2-CB 4.15Å; V657-A665 PolarHBondContact N-O 3.1Å; V657-A665 PolarHBondContact O-N 3.06Å; A665-Y729 HydrophobicContact CB-CD2 3.66Å; A665-Y729 HydrophobicContact CB-CE2 4.11Å |
| 666 | F | 96.3 | Very high | 93.7 | Very high | 133 Ų | 133 | 40.1 Ų | 40.1 | 58% | 0.583 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140 | 162.7 | -64.8 | -78.9 | 0 | 0 | 0 | 108.2 | L655 E656 I663 L694 | L655-F666 CarbonylContact O-C 3.55Å; L655-F666 WeakPolarHBondContact O-CA 3.33Å; E656-F666 HydrophobicContact CB-CD1 3.56Å; E656-F666 HydrophobicContact CB-CE1 3.7Å; E656-F666 HydrophobicContact CG-CD1 4.39Å; E656-F666 HydrophobicContact CG-CE1 4.05Å; I663-F666 HydrophobicContact CD1-CZ 4.26Å; I663-F666 HydrophobicContact CG2-CE1 4.06Å; I663-F666 HydrophobicContact CG2-CE2 4.01Å; I663-F666 HydrophobicContact CG2-CZ 3.75Å; F666-L694 HydrophobicContact CD1-CD1 3.87Å; F666-L694 HydrophobicContact CE1-CD1 3.97Å |
| 667 | L | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.2 | 175.7 | -49 | 171 | 0 | 0 | 0 | 108.9 | V650 S654 L655 V657 D671 F673 T728 | V650-L667 HydrophobicContact CG2-CB 4.36Å; S654-L667 CarbonylContact C-O 3.52Å; S654-L667 VanDerWaalsContact CA-O 3.31Å; S654-L667 WeakPolarHBondContact CA-O 3.43Å; L655-L667 HydrophobicContact CB-CB 4.22Å; L655-L667 PolarHBondContact N-O 2.86Å; L655-L667 PolarHBondContact O-N 3.02Å; V657-L667 HydrophobicContact CG2-CD1 3.77Å; V657-L667 HydrophobicContact CG2-CD2 4.5Å; V657-L667 HydrophobicContact CG2-CG 3.9Å; L667-D671 WeakPolarHBondContact CA-OD2 3.43Å; L667-D671 HydrophobicContact CB-CB 4.1Å; L667-D671 HydrophobicContact CD2-CB 4.3Å; L667-F673 HydrophobicContact CD1-CB 3.81Å; L667-F673 HydrophobicContact CD1-CD1 3.57Å; L667-F673 HydrophobicContact CD1-CD2 4.37Å; L667-F673 HydrophobicContact CD1-CE1 4.19Å; L667-F673 HydrophobicContact CD1-CG 3.67Å; L667-T728 HydrophobicContact CD2-CG2 3.67Å |
| 668 | G | 94.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -174.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V650 G670 D671 | V650-G668 VanDerWaalsContact CB-O 3.28Å; V650-G668 WeakPolarHBondContact CB-O 3.21Å; V650-G668 VanDerWaalsContact CG1-O 3.31Å; V650-G668 WeakPolarHBondContact CG1-O 3.39Å; G668-G670 PolarHBondContact O-N 3.14Å; G668-D671 PolarHBondContact N-OD2 2.86Å; G668-D671 WeakPolarHBondContact O-CB 3.2Å; G668-D671 PolarHBondContact O-N 2.87Å; G668-D671 VanDerWaalsContact O-N 3.08Å |
| 669 | R | 93.8 | Very high | 92.6 | Very high | 152 Ų | 152 | 47.4 Ų | 47.4 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 128.1 | 173.8 | 169.9 | 174.7 | 167.1 | -161.5 | -2.1 | 111.4 | E607 V650 V651 | E607-R669 IonicContact OE1-CZ 2.74Å; E607-R669 IonicContact OE1-NE 2.72Å; E607-R669 IonicContact OE1-NH2 3.36Å; E607-R669 PolarHBondContact OE1-NH2 2.66Å; E607-R669 IonicContact OE2-NE 3.82Å; E607-R669 PolarHBondContact OE2-NE 3.46Å; E607-R669 IonicContact OE2-NH2 3.27Å; V650-R669 WeakPolarHBondContact O-CA 3.48Å; V651-R669 VanDerWaalsContact O-CD 3.31Å; V651-R669 WeakPolarHBondContact O-CD 3.49Å; V651-R669 VanDerWaalsContact O-CG 3.31Å; V651-R669 WeakPolarHBondContact O-CG 3.38Å |
| 670 | G | 91.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H608 V650 G668 | H608-G670 PolarHBondContact CE1-O 2.82Å; H608-G670 PolarHBondContact ND1-O 3.31Å; V650-G670 PolarHBondContact O-N 2.92Å; G668-G670 PolarHBondContact O-N 3.14Å |
| 671 | D | 95.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | trans | -86.5 | 157.4 | 174.6 | -74.5 | -46.9 | 0 | 0 | 0 | 113.5 | V650 L667 G668 T728 | V650-D671 HydrophobicContact CG2-CB 4.46Å; V650-D671 PolarHBondContact N-O 2.62Å; L667-D671 WeakPolarHBondContact CA-OD2 3.43Å; L667-D671 HydrophobicContact CB-CB 4.1Å; L667-D671 HydrophobicContact CD2-CB 4.3Å; G668-D671 PolarHBondContact N-OD2 2.86Å; G668-D671 WeakPolarHBondContact O-CB 3.2Å; G668-D671 PolarHBondContact O-N 2.87Å; G668-D671 VanDerWaalsContact O-N 3.08Å; D671-T728 WeakPolarHBondContact CA-OG1 3.24Å; D671-T728 HydrophobicContact CB-CG2 4.14Å; D671-T728 WeakPolarHBondContact CB-OG1 3.45Å; D671-T728 WeakPolarHBondContact OD1-CB 3.49Å; D671-T728 WeakPolarHBondContact OD1-CG2 3.46Å; D671-T728 PolarHBondContact OD1-OG1 3.24Å | ||
| 672 | V | 95.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.1 | -179.9 | -164.8 | 0 | 0 | 0 | 0 | 110.5 | H608 L647 C648 F649 L725 L727 T728 Y729 | H608-V672 WeakPolarHBondContact CE1-CG2 3.42Å; L647-V672 HydrophobicContact CD1-CG1 3.78Å; L647-V672 HydrophobicContact CG-CG1 4.27Å; C648-V672 WeakPolarHBondContact O-CA 3.48Å; C648-V672 WeakPolarHBondContact O-CG1 3.46Å; F649-V672 HydrophobicContact CD1-CB 4.27Å; F649-V672 HydrophobicContact CD1-CG1 3.77Å; F649-V672 HydrophobicContact CD1-CG2 3.5Å; F649-V672 VanDerWaalsContact CD1-CG2 3.5Å; F649-V672 HydrophobicContact CD2-CG1 4.47Å; F649-V672 HydrophobicContact CE1-CB 4.45Å; F649-V672 HydrophobicContact CE1-CG1 3.72Å; F649-V672 HydrophobicContact CE1-CG2 3.79Å; F649-V672 HydrophobicContact CE2-CG1 4.43Å; F649-V672 HydrophobicContact CG-CG1 4.16Å; F649-V672 HydrophobicContact CG-CG2 4.38Å; F649-V672 HydrophobicContact CZ-CG1 4.07Å; V672-L725 HydrophobicContact CB-CD1 4.43Å; V672-L725 HydrophobicContact CG1-CD1 4.26Å; V672-L725 HydrophobicContact CG2-CD1 4.08Å; V672-L727 HydrophobicContact CB-CD2 4.2Å; V672-L727 HydrophobicContact CG1-CD2 3.74Å; V672-T728 PolarHBondContact N-OG1 3.14Å; V672-T728 PolarHBondContact O-N 3.21Å; V672-Y729 PolarHBondContact O-N 3.19Å |
| 673 | F | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.7 | -179.6 | 65.5 | -78 | 0 | 0 | 0 | 112.1 | I637 F638 C648 V650 L655 L667 V691 L699 Y729 L731 | I637-F673 HydrophobicContact CG2-CE2 4.14Å; I637-F673 HydrophobicContact CG2-CZ 4.21Å; F638-F673 HydrophobicContact CD2-CD2 4.23Å; F638-F673 AromaticContact CD2-CE2 3.86Å; F638-F673 HydrophobicContact CD2-CE2 3.86Å; F638-F673 HydrophobicContact CE2-CD2 4.1Å; F638-F673 AromaticContact CE2-CE2 3.79Å; F638-F673 HydrophobicContact CE2-CE2 3.79Å; C648-F673 HydrophobicContact CB-CD1 3.85Å; C648-F673 HydrophobicContact CB-CD2 4.07Å; C648-F673 HydrophobicContact CB-CE1 3.42Å; C648-F673 VanDerWaalsContact CB-CE1 3.42Å; C648-F673 HydrophobicContact CB-CE2 3.66Å; C648-F673 HydrophobicContact CB-CG 4.16Å; C648-F673 HydrophobicContact CB-CZ 3.33Å; C648-F673 PolarHBondContact N-O 2.88Å; C648-F673 PolarHBondContact O-N 3.32Å; V650-F673 HydrophobicContact CG2-CD1 4.01Å; V650-F673 HydrophobicContact CG2-CE1 3.66Å; L655-F673 HydrophobicContact CD2-CE1 3.99Å; L655-F673 HydrophobicContact CD2-CZ 3.81Å; L667-F673 HydrophobicContact CD1-CB 3.81Å; L667-F673 HydrophobicContact CD1-CD1 3.57Å; L667-F673 HydrophobicContact CD1-CD2 4.37Å; L667-F673 HydrophobicContact CD1-CE1 4.19Å; L667-F673 HydrophobicContact CD1-CG 3.67Å; F673-V691 HydrophobicContact CD2-CG1 4.44Å; F673-V691 HydrophobicContact CD2-CG2 4.3Å; F673-V691 HydrophobicContact CE2-CB 4.49Å; F673-V691 HydrophobicContact CE2-CG1 3.91Å; F673-V691 HydrophobicContact CE2-CG2 4.34Å; F673-V691 HydrophobicContact CZ-CG1 4.29Å; F673-L699 HydrophobicContact CE1-CD2 4.2Å; F673-L699 HydrophobicContact CZ-CD1 4.29Å; F673-L699 HydrophobicContact CZ-CD2 4.38Å; F673-Y729 WeakPolarHBondContact CA-O 3.19Å; F673-L731 HydrophobicContact CD2-CD1 4.26Å |
| 674 | G | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | -148.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y729 D730 L731 | G674-Y729 PolarHBondContact N-O 3.48Å; G674-D730 WeakPolarHBondContact O-CA 3.25Å; G674-L731 PolarHBondContact O-N 3.41Å |
| 675 | E | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -117.7 | 145.4 | 169.4 | -179.1 | -173.7 | 172.9 | 0 | 0 | 109.6 | I644 F677 N685 K732 | I644-E675 HydrophobicContact CD1-CB 4.25Å; I644-E675 HydrophobicContact CG2-CB 4.09Å; E675-F677 HydrophobicContact CB-CD1 3.88Å; E675-F677 HydrophobicContact CB-CE1 3.71Å; E675-F677 HydrophobicContact CG-CD1 4.24Å; E675-F677 PolarHBondContact O-N 3.24Å; E675-N685 PolarHBondContact OE1-ND2 2.8Å; E675-N685 WeakPolarHBondContact OE2-CB 3.18Å; E675-N685 PolarHBondContact OE2-ND2 3Å; E675-K732 HydrophobicContact CG-CB 4.28Å; E675-K732 HydrophobicContact CG-CD 4.04Å; E675-K732 WeakPolarHBondContact OE1-CD 3.4Å; E675-K732 IonicContact OE1-NZ 2.74Å; E675-K732 PolarHBondContact OE1-NZ 3.03Å | ||
| 676 | P | 91.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | trans | -74.1 | 70.2 | 172.7 | 32.5 | -37.1 | 0 | 0 | 0 | 112.1 | W678 K679 L727 D730 | P676-W678 HydrophobicContact CB-CH2 3.91Å; P676-W678 HydrophobicContact CB-CZ2 3.72Å; P676-W678 HydrophobicContact CB-CZ3 4.39Å; P676-W678 PolarHBondContact O-N 3.38Å; P676-K679 HydrophobicContact CB-CD 4.1Å; P676-K679 HydrophobicContact CB-CG 4.31Å; P676-K679 HydrophobicContact CG-CD 3.91Å; P676-K679 HydrophobicContact CG-CG 4.49Å; P676-K679 PolarHBondContact O-N 3.28Å; P676-L727 HydrophobicContact CB-CD1 4.28Å; P676-L727 HydrophobicContact CG-CD1 4.43Å; P676-D730 VanDerWaalsContact CD-OD2 3.26Å; P676-D730 WeakPolarHBondContact CD-OD2 3.33Å | ||
| 677 | F | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -22.9 | -170.9 | -59.2 | -47 | 0 | 0 | 0 | 116.9 | I644 L647 E675 K679 P681 K704 L707 L708 | I644-F677 HydrophobicContact CG2-CE1 4.16Å; I644-F677 HydrophobicContact CG2-CZ 4.13Å; I644-F677 WeakPolarHBondContact O-CE1 3.31Å; I644-F677 WeakPolarHBondContact O-CZ 3.47Å; L647-F677 HydrophobicContact CB-CD2 4.49Å; L647-F677 HydrophobicContact CB-CE2 3.9Å; E675-F677 HydrophobicContact CB-CD1 3.88Å; E675-F677 HydrophobicContact CB-CE1 3.71Å; E675-F677 HydrophobicContact CG-CD1 4.24Å; E675-F677 PolarHBondContact O-N 3.24Å; F677-K679 VanDerWaalsContact C-N 3.32Å; F677-P681 VanDerWaalsContact O-CA 3.32Å; F677-P681 WeakPolarHBondContact O-CA 3.42Å; F677-K704 HydrophobicContact CB-CG 4.07Å; F677-K704 HydrophobicContact CD1-CB 4.26Å; F677-K704 HydrophobicContact CD1-CD 3.72Å; F677-K704 HydrophobicContact CD1-CG 3.85Å; F677-K704 HydrophobicContact CD2-CB 3.87Å; F677-K704 HydrophobicContact CD2-CG 3.95Å; F677-K704 HydrophobicContact CE1-CB 4.18Å; F677-K704 HydrophobicContact CE1-CD 4.03Å; F677-K704 HydrophobicContact CE1-CG 4.22Å; F677-K704 HydrophobicContact CE2-CB 3.78Å; F677-K704 HydrophobicContact CE2-CG 4.31Å; F677-K704 HydrophobicContact CG-CB 4.12Å; F677-K704 HydrophobicContact CG-CD 4.1Å; F677-K704 HydrophobicContact CG-CG 3.71Å; F677-K704 HydrophobicContact CZ-CB 3.95Å; F677-K704 HydrophobicContact CZ-CG 4.45Å; F677-L707 HydrophobicContact CD2-CD2 4.3Å; F677-L708 HydrophobicContact CB-CD2 4.46Å |
| 678 | W | 88.4 | Confident | 89.7 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.5 | 179.4 | 56.7 | 89.7 | 0 | 0 | 0 | 113.9 | P676 L711 F721 A722 L725 | P676-W678 HydrophobicContact CB-CH2 3.91Å; P676-W678 HydrophobicContact CB-CZ2 3.72Å; P676-W678 HydrophobicContact CB-CZ3 4.39Å; P676-W678 PolarHBondContact O-N 3.38Å; W678-L711 HydrophobicContact CB-CD1 4.3Å; W678-F721 HydrophobicContact CD2-CD1 4.48Å; W678-F721 HydrophobicContact CD2-CE1 4.4Å; W678-F721 HydrophobicContact CE3-CD1 4.27Å; W678-F721 AromaticContact CE3-CE1 3.76Å; W678-F721 HydrophobicContact CE3-CE1 3.76Å; W678-F721 HydrophobicContact CH2-CE1 4.18Å; W678-F721 HydrophobicContact CZ3-CD1 4.42Å; W678-F721 AromaticContact CZ3-CE1 3.65Å; W678-F721 HydrophobicContact CZ3-CE1 3.65Å; W678-F721 HydrophobicContact CZ3-CZ 4.42Å; W678-A722 VanDerWaalsContact CD1-CB 3.41Å; W678-A722 HydrophobicContact CG-CB 4.29Å; W678-A722 VanDerWaalsContact NE1-CB 3.34Å; W678-L725 HydrophobicContact CH2-CB 4.4Å; W678-L725 HydrophobicContact CH2-CD2 3.62Å; W678-L725 HydrophobicContact CH2-CG 4.12Å; W678-L725 HydrophobicContact CZ3-CD2 4.06Å |
| 679 | K | 86.7 | Confident | 89.7 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 60% | 0.6 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -55.1 | 172.2 | -63.8 | -177 | -175.8 | 175 | 0 | 111 | P676 F677 P681 | P676-K679 HydrophobicContact CB-CD 4.1Å; P676-K679 HydrophobicContact CB-CG 4.31Å; P676-K679 HydrophobicContact CG-CD 3.91Å; P676-K679 HydrophobicContact CG-CG 4.49Å; P676-K679 PolarHBondContact O-N 3.28Å; F677-K679 VanDerWaalsContact C-N 3.32Å; K679-P681 WeakPolarHBondContact O-CD 3.39Å |
| 680 | D | 84.9 | Confident | 89.8 | Confident | 75 Ų | 75 | 42.7 Ų | 42.7 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -117.5 | 60.4 | -173.3 | -55.4 | -43.5 | 0 | 0 | 0 | 112 | N682 S683 K732 | D680-N682 PolarHBondContact O-N 3.04Å; D680-S683 VanDerWaalsContact CB-OG 3.25Å; D680-S683 WeakPolarHBondContact CB-OG 2.86Å; D680-S683 PolarHBondContact O-N 3.3Å; D680-S683 PolarHBondContact O-OG 3.38Å; D680-S683 VanDerWaalsContact O-OG 3.04Å; D680-K732 IonicContact OD2-NZ 2.73Å; D680-K732 PolarHBondContact OD2-NZ 3.28Å |
| 681 | P | 78.7 | Confident | 90 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.8 | -165.9 | 23.4 | -35.4 | 0 | 0 | 0 | 114.2 | F677 K679 K704 L708 | F677-P681 VanDerWaalsContact O-CA 3.32Å; F677-P681 WeakPolarHBondContact O-CA 3.42Å; K679-P681 WeakPolarHBondContact O-CD 3.39Å; P681-K704 VanDerWaalsContact O-CE 3.26Å; P681-K704 WeakPolarHBondContact O-CE 3.29Å; P681-K704 PolarHBondContact O-NZ 3.48Å; P681-L708 HydrophobicContact CB-CD1 4.09Å; P681-L708 HydrophobicContact CB-CD2 4.37Å |
| 682 | N | 79.2 | Confident | 90 | Very high | 165 Ų | 165 | 43.4 Ų | 43.4 | 88% | 0.882 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.7 | -177.5 | -63.5 | -7.7 | 0 | 0 | 0 | 113.7 | D680 | D680-N682 PolarHBondContact O-N 3.04Š|
| 683 | S | 81.6 | Confident | 89.9 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | trans | -92.3 | 141 | 178.6 | 71.2 | 0 | 0 | 0 | 0 | 111.5 | D680 N685 K704 | D680-S683 VanDerWaalsContact CB-OG 3.25Å; D680-S683 WeakPolarHBondContact CB-OG 2.86Å; D680-S683 PolarHBondContact O-N 3.3Å; D680-S683 PolarHBondContact O-OG 3.38Å; D680-S683 VanDerWaalsContact O-OG 3.04Å; S683-N685 PolarHBondContact OG-ND2 3.08Å; S683-K704 PolarHBondContact O-NZ 2.92Å | ||
| 684 | M | 83.5 | Confident | 89.9 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 44% | 0.443 | 24% | 0.236 | S | C | . | . | trans | -111.2 | 118.4 | 164.6 | -170.6 | 71.6 | 97.6 | 0 | 0 | 106.7 | I644 D645 K704 | I644-M684 VanDerWaalsContact O-SD 3.41Å; D645-M684 HydrophobicContact CB-CE 4.18Å; M684-K704 HydrophobicContact CE-CD 4.43Å; M684-K704 HydrophobicContact SD-CD 4.16Å | ||
| 685 | N | 88.8 | Confident | 89.8 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | trans | -105.1 | 158 | -174.3 | -59.9 | -87.6 | 0 | 0 | 0 | 111.5 | I644 E675 S683 K732 | I644-N685 PolarHBondContact N-O 2.68Å; E675-N685 PolarHBondContact OE1-ND2 2.8Å; E675-N685 WeakPolarHBondContact OE2-CB 3.18Å; E675-N685 PolarHBondContact OE2-ND2 3Å; S683-N685 PolarHBondContact OG-ND2 3.08Å; N685-K732 HydrophobicContact CB-CD 4.29Å; N685-K732 HydrophobicContact CB-CG 3.96Å; N685-K732 VanDerWaalsContact CG-CE 3.42Å; N685-K732 WeakPolarHBondContact ND2-CE 3.37Å; N685-K732 PolarHBondContact ND2-NZ 3.22Å; N685-K732 VanDerWaalsContact ND2-NZ 3.1Å; N685-K732 WeakPolarHBondContact OD1-CE 3.34Å | ||
| 686 | H | 92.4 | Very high | 89.7 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | B | Isolated β-bridge | trans | -93.1 | 141.9 | 179.3 | -63.7 | -89.7 | 0 | 0 | 0 | 110.4 | G641 E642 A688 | G641-H686 PolarHBondContact O-ND1 3.22Å; E642-H686 CarbonylContact O-C 3.58Å; E642-H686 VanDerWaalsContact O-CA 3.28Å; E642-H686 WeakPolarHBondContact O-CA 3.29Å; H686-A688 PolarHBondContact O-N 3.04Å |
| 687 | S | 93.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -65.9 | 121.8 | 176 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | G641 E642 A689 | G641-S687 PolarHBondContact N-O 3.37Å; E642-S687 PolarHBondContact O-N 2.86Å; S687-A689 PolarHBondContact O-N 3.36Å; S687-A689 PolarHBondContact OG-O 2.87Å | ||
| 688 | A | 93.2 | Very high | 89.7 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -71.7 | -15.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q640 Q659 H686 L731 R734 | Q640-A688 WeakPolarHBondContact CG-O 3.47Å; Q659-A688 WeakPolarHBondContact CG-O 3.43Å; H686-A688 PolarHBondContact O-N 3.04Å; A688-L731 WeakPolarHBondContact CB-O 3.34Å; A688-L731 PolarHBondContact N-O 2.95Å; A688-R734 HydrophobicContact CB-CB 3.7Å; A688-R734 HydrophobicContact CB-CG 4.23Å |
| 689 | A | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -137.3 | 166.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q640 V657 I658 Q659 S687 Y729 | Q640-A689 PolarHBondContact N-O 2.82Å; V657-A689 HydrophobicContact CG1-CB 3.87Å; I658-A689 CarbonylContact O-C 3.59Å; I658-A689 WeakPolarHBondContact O-CA 3.34Å; I658-A689 WeakPolarHBondContact O-CB 3.46Å; Q659-A689 HydrophobicContact CB-CB 4.13Å; Q659-A689 HydrophobicContact CG-CB 4.42Å; S687-A689 PolarHBondContact O-N 3.36Å; S687-A689 PolarHBondContact OG-O 2.87Å; A689-Y729 HydrophobicContact CB-CE1 4.44Å |
| 690 | T | 95.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139 | 171.5 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | L636 F638 Q640 I658 | L636-T690 HydrophobicContact CD1-CG2 4.48Å; L636-T690 HydrophobicContact CD2-CG2 3.92Å; F638-T690 CarbonylContact O-C 3.58Å; F638-T690 VanDerWaalsContact O-CA 3.28Å; F638-T690 WeakPolarHBondContact O-CA 3.04Å; F638-T690 WeakPolarHBondContact O-CG2 3.45Å; Q640-T690 WeakPolarHBondContact CB-OG1 3.32Å; Q640-T690 PolarHBondContact N-OG1 3.43Å; I658-T690 PolarHBondContact N-O 3.07Å; I658-T690 PolarHBondContact O-N 3.16Å |
| 691 | V | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.7 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | L636 I637 F638 L655 E656 V657 F673 L731 | L636-V691 CarbonylContact C-O 3.47Å; L636-V691 WeakPolarHBondContact CA-O 3.41Å; I637-V691 HydrophobicContact CB-CB 4.41Å; I637-V691 HydrophobicContact CB-CG1 4.33Å; I637-V691 HydrophobicContact CD1-CG1 4.21Å; I637-V691 PolarHBondContact N-O 2.76Å; F638-V691 HydrophobicContact CB-CB 4.42Å; F638-V691 HydrophobicContact CB-CG2 4.29Å; F638-V691 HydrophobicContact CD2-CG2 4.35Å; F638-V691 PolarHBondContact O-N 3.35Å; L655-V691 HydrophobicContact CB-CG1 4.47Å; L655-V691 HydrophobicContact CD2-CG1 3.81Å; E656-V691 CarbonylContact O-C 3.3Å; E656-V691 WeakPolarHBondContact O-CA 3.32Å; V657-V691 HydrophobicContact CG1-CG2 4.47Å; V657-V691 HydrophobicContact CG2-CG2 4.48Å; F673-V691 HydrophobicContact CD2-CG1 4.44Å; F673-V691 HydrophobicContact CD2-CG2 4.3Å; F673-V691 HydrophobicContact CE2-CB 4.49Å; F673-V691 HydrophobicContact CE2-CG1 3.91Å; F673-V691 HydrophobicContact CE2-CG2 4.34Å; F673-V691 HydrophobicContact CZ-CG1 4.29Å; V691-L731 HydrophobicContact CG2-CD1 4.45Å; V691-L731 HydrophobicContact CG2-CD2 3.73Å |
| 692 | R | 94.9 | Very high | 91.7 | Very high | 88 Ų | 88 | 40.9 Ų | 40.9 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.8 | -175.4 | -177.8 | 167.7 | 67.9 | -179.6 | 2.7 | 111.4 | D635 L636 L655 E656 I658 | D635-R692 CarbonylContact O-C 3.58Å; D635-R692 VanDerWaalsContact O-CA 3.26Å; D635-R692 WeakPolarHBondContact O-CA 3.43Å; L636-R692 HydrophobicContact CD2-CB 3.66Å; L636-R692 HydrophobicContact CD2-CG 3.76Å; L655-R692 CarbonylContact C-O 3.56Å; L655-R692 VanDerWaalsContact CA-O 3.28Å; L655-R692 WeakPolarHBondContact CA-O 3.4Å; L655-R692 WeakPolarHBondContact CB-O 3.38Å; E656-R692 WeakPolarHBondContact CA-O 3.21Å; E656-R692 PolarHBondContact N-O 3.14Å; E656-R692 PolarHBondContact O-N 3.2Å; E656-R692 IonicContact OE1-CZ 2.7Å; E656-R692 VanDerWaalsContact OE1-CZ 3.25Å; E656-R692 IonicContact OE1-NE 2.77Å; E656-R692 PolarHBondContact OE1-NE 3.34Å; E656-R692 IonicContact OE1-NH2 3.24Å; E656-R692 PolarHBondContact OE1-NH2 3.02Å; E656-R692 IonicContact OE2-CZ 3.28Å; E656-R692 IonicContact OE2-NE 3.15Å; E656-R692 IonicContact OE2-NH2 2.89Å; E656-R692 PolarHBondContact OE2-NH2 2.82Å; I658-R692 HydrophobicContact CD1-CB 4.44Å |
| 693 | A | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A632 G634 D635 I637 C697 | A632-A693 WeakPolarHBondContact O-CB 3.3Å; G634-A693 PolarHBondContact N-O 3.37Å; D635-A693 PolarHBondContact O-N 2.91Å; I637-A693 HydrophobicContact CD1-CB 4.33Å; A693-C697 HydrophobicContact CB-CB 4.46Å |
| 694 | L | 93.5 | Very high | 93 | Very high | 73 Ų | 73 | 36.2 Ų | 36.2 | 38% | 0.382 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -94 | -27.6 | 173.6 | -67.2 | 174.8 | 0 | 0 | 0 | 112.5 | S654 E656 F666 | S654-L694 WeakPolarHBondContact O-CB 3.14Å; S654-L694 PolarHBondContact O-N 3.36Å; E656-L694 HydrophobicContact CB-CD1 4.17Å; E656-L694 HydrophobicContact CB-CG 4.33Å; F666-L694 HydrophobicContact CD1-CD1 3.87Å; F666-L694 HydrophobicContact CE1-CD1 3.97Å |
| 695 | T | 91.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -124.3 | -177.9 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 109.3 | G653 S654 C697 | G653-T695 WeakPolarHBondContact CA-OG1 3.31Å; S654-T695 PolarHBondContact N-OG1 3.43Å; T695-C697 PolarHBondContact O-N 2.94Å; T695-C697 PolarHBondContact O-SG 3.01Å; T695-C697 PolarHBondContact OG1-SG 2.92Å |
| 696 | Y | 88.8 | Confident | 93.6 | Very high | 102 Ų | 102 | 37.6 Ų | 37.6 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | trans | -59.2 | 131.2 | 153.6 | -65.5 | -79 | 0 | 0 | 0 | 108.5 | H630 T631 A632 P633 G653 F1306 | H630-Y696 AromaticContact NE2-CD1 3.84Å; T631-Y696 WeakPolarHBondContact O-CA 3.38Å; A632-Y696 HydrophobicContact CB-CD1 4.26Å; A632-Y696 HydrophobicContact CB-CE1 3.89Å; P633-Y696 HydrophobicContact CG-CD2 4.14Å; P633-Y696 HydrophobicContact CG-CE2 4.03Å; P633-Y696 HydrophobicContact CG-CG 4.49Å; G653-Y696 WeakPolarHBondContact CA-O 3.39Å; Y696-F1306 HydrophobicContact CE2-CZ 4.48Å | ||
| 697 | C | 91 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.7 | -173.8 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | H630 T631 S652 S654 L655 A693 T695 | H630-C697 WeakPolarHBondContact CA-O 3.4Å; T631-C697 PolarHBondContact N-O 3.09Å; T631-C697 PolarHBondContact O-N 2.91Å; T631-C697 WeakPolarHBondContact OG1-CB 3.33Å; T631-C697 PolarHBondContact OG1-O 2.88Å; S652-C697 WeakPolarHBondContact O-CA 3.09Å; S654-C697 PolarHBondContact N-SG 3.05Å; S654-C697 VanDerWaalsContact N-SG 3.39Å; S654-C697 PolarHBondContact O-SG 2.85Å; L655-C697 HydrophobicContact CD1-CB 4.38Å; A693-C697 HydrophobicContact CB-CB 4.46Å; T695-C697 PolarHBondContact O-N 2.94Å; T695-C697 PolarHBondContact O-SG 3.01Å; T695-C697 PolarHBondContact OG1-SG 2.92Å |
| 698 | D | 92.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.6 | 171.6 | -70.4 | -65.2 | 0 | 0 | 0 | 109.4 | H630 V651 S652 | H630-D698 IonicContact CE1-OD1 2.61Å; H630-D698 PolarHBondContact CE1-OD1 2.99Å; H630-D698 IonicContact CE1-OD2 3.96Å; H630-D698 IonicContact CG-OD1 2.71Å; H630-D698 IonicContact ND1-OD1 3.75Å; H630-D698 PolarHBondContact ND1-OD1 3.09Å; H630-D698 IonicContact ND1-OD2 3.69Å; V651-D698 HydrophobicContact CB-CB 4.34Å; V651-D698 PolarHBondContact N-O 3.4Å; S652-D698 VanDerWaalsContact CB-OD2 3.31Å; S652-D698 WeakPolarHBondContact CB-OD2 3.48Å; S652-D698 PolarHBondContact N-O 3.03Å; S652-D698 PolarHBondContact O-N 2.86Å; S652-D698 VanDerWaalsContact O-N 3.09Å |
| 699 | L | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.3 | -180 | -57.9 | -179.9 | 0 | 0 | 0 | 109.8 | T628 I629 I637 V650 L655 F673 | T628-L699 CarbonylContact C-O 3.49Å; T628-L699 WeakPolarHBondContact CA-O 3.43Å; I629-L699 PolarHBondContact N-O 3.35Å; I629-L699 PolarHBondContact O-N 3.23Å; I637-L699 HydrophobicContact CD1-CD1 3.69Å; I637-L699 HydrophobicContact CG1-CD1 3.95Å; I637-L699 HydrophobicContact CG2-CD1 3.99Å; V650-L699 HydrophobicContact CB-CD2 4.35Å; V650-L699 HydrophobicContact CG1-CD2 4.38Å; V650-L699 HydrophobicContact CG2-CD2 3.96Å; L655-L699 HydrophobicContact CD1-CD2 4.22Å; L655-L699 HydrophobicContact CD2-CD1 4.38Å; L655-L699 HydrophobicContact CD2-CD2 4.09Å; F673-L699 HydrophobicContact CE1-CD2 4.2Å; F673-L699 HydrophobicContact CZ-CD1 4.29Å; F673-L699 HydrophobicContact CZ-CD2 4.38Å |
| 700 | H | 95.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.9 | 172.8 | -78.3 | -123.5 | 0 | 0 | 0 | 108.3 | L600 N601 V604 F626 T628 F649 V651 | L600-H700 PolarHBondContact O-CE1 3.47Å; N601-H700 PolarHBondContact OD1-ND1 2.88Å; V604-H700 HydrophobicContact CG2-CB 3.56Å; F626-H700 HydrophobicContact CD1-CB 4.29Å; T628-H700 PolarHBondContact OG1-CE1 3.29Å; T628-H700 PolarHBondContact OG1-NE2 3Å; F649-H700 HydrophobicContact CB-CB 4.41Å; F649-H700 WeakPolarHBondContact CD2-O 3.48Å; F649-H700 PolarHBondContact N-O 2.86Å; F649-H700 PolarHBondContact O-N 2.71Å; V651-H700 HydrophobicContact CG2-CB 4.23Å; V651-H700 WeakPolarHBondContact CG2-CD2 3.32Å |
| 701 | C | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.7 | -168.9 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | F626 N627 I629 L647 | F626-C701 WeakPolarHBondContact CA-O 3.26Å; N627-C701 PolarHBondContact N-O 3.09Å; N627-C701 PolarHBondContact O-N 3.27Å; I629-C701 HydrophobicContact CD1-CB 4.14Å; L647-C701 WeakPolarHBondContact O-CA 3.45Å |
| 702 | I | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.3 | 172.5 | -172.2 | 166.7 | 0 | 0 | 0 | 110.5 | L622 N625 F626 Q646 L647 F649 L707 | L622-I702 HydrophobicContact CD2-CD1 4.01Å; N625-I702 HydrophobicContact CB-CD1 4.25Å; N625-I702 HydrophobicContact CB-CG1 4.47Å; F626-I702 HydrophobicContact CD1-CB 3.9Å; F626-I702 HydrophobicContact CD1-CG2 4.45Å; F626-I702 HydrophobicContact CD2-CB 4.49Å; F626-I702 HydrophobicContact CD2-CD1 4.1Å; F626-I702 HydrophobicContact CE1-CB 3.79Å; F626-I702 HydrophobicContact CE1-CG2 3.83Å; F626-I702 HydrophobicContact CE2-CB 4.39Å; F626-I702 HydrophobicContact CE2-CD1 3.98Å; F626-I702 HydrophobicContact CG-CB 4.25Å; F626-I702 HydrophobicContact CZ-CB 4.05Å; F626-I702 HydrophobicContact CZ-CD1 4.39Å; F626-I702 HydrophobicContact CZ-CG2 3.87Å; Q646-I702 WeakPolarHBondContact CA-O 3.43Å; L647-I702 HydrophobicContact CB-CG2 4.09Å; L647-I702 HydrophobicContact CD2-CG2 4.36Å; L647-I702 PolarHBondContact N-O 3.21Å; L647-I702 PolarHBondContact O-N 3.12Å; F649-I702 HydrophobicContact CE2-CG2 4.22Å; I702-L707 HydrophobicContact CD1-CB 4.16Å; I702-L707 HydrophobicContact CD1-CD1 4.24Å; I702-L707 HydrophobicContact CG1-CB 4.19Å; I702-L707 HydrophobicContact CG2-CD2 4.38Å |
| 703 | K | 94.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 144.4 | -179.7 | -72.7 | -172.9 | 174.8 | -79.9 | 0 | 111.8 | D645 Q646 D705 C706 L707 | D645-K703 IonicContact OD1-NZ 3.65Å; D645-K703 IonicContact OD2-NZ 3.68Å; D645-K703 PolarHBondContact OD2-NZ 2.72Å; Q646-K703 HydrophobicContact CB-CG 4.49Å; K703-D705 PolarHBondContact O-N 3.18Å; K703-C706 PolarHBondContact O-N 3.25Å; K703-L707 PolarHBondContact O-N 2.93Å |
| 704 | K | 93.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -48 | -53 | -178.7 | 176.8 | 178.1 | 176.7 | -165.6 | 0 | 112.6 | D645 F677 P681 S683 M684 C706 L707 L708 | D645-K704 VanDerWaalsContact O-CB 3.28Å; D645-K704 WeakPolarHBondContact O-CB 3.15Å; D645-K704 PolarHBondContact O-N 3.01Å; F677-K704 HydrophobicContact CB-CG 4.07Å; F677-K704 HydrophobicContact CD1-CB 4.26Å; F677-K704 HydrophobicContact CD1-CD 3.72Å; F677-K704 HydrophobicContact CD1-CG 3.85Å; F677-K704 HydrophobicContact CD2-CB 3.87Å; F677-K704 HydrophobicContact CD2-CG 3.95Å; F677-K704 HydrophobicContact CE1-CB 4.18Å; F677-K704 HydrophobicContact CE1-CD 4.03Å; F677-K704 HydrophobicContact CE1-CG 4.22Å; F677-K704 HydrophobicContact CE2-CB 3.78Å; F677-K704 HydrophobicContact CE2-CG 4.31Å; F677-K704 HydrophobicContact CG-CB 4.12Å; F677-K704 HydrophobicContact CG-CD 4.1Å; F677-K704 HydrophobicContact CG-CG 3.71Å; F677-K704 HydrophobicContact CZ-CB 3.95Å; F677-K704 HydrophobicContact CZ-CG 4.45Å; P681-K704 VanDerWaalsContact O-CE 3.26Å; P681-K704 WeakPolarHBondContact O-CE 3.29Å; P681-K704 PolarHBondContact O-NZ 3.48Å; S683-K704 PolarHBondContact O-NZ 2.92Å; M684-K704 HydrophobicContact CE-CD 4.43Å; M684-K704 HydrophobicContact SD-CD 4.16Å; K704-C706 PolarHBondContact O-N 3.45Å; K704-L707 PolarHBondContact O-N 3.26Å; K704-L708 HydrophobicContact CD-CD1 4.46Å; K704-L708 HydrophobicContact CG-CD1 3.81Å; K704-L708 HydrophobicContact CG-CG 4.4Å; K704-L708 WeakPolarHBondContact O-CB 3.44Å; K704-L708 WeakPolarHBondContact O-CG 3.44Å; K704-L708 PolarHBondContact O-N 3.27Å |
| 705 | D | 92.6 | Very high | 93.3 | Very high | 120 Ų | 120 | 51.9 Ų | 51.9 | 64% | 0.642 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | -175.5 | -61.5 | -48.6 | 0 | 0 | 0 | 112.3 | K703 L708 Q709 | K703-D705 PolarHBondContact O-N 3.18Å; D705-L708 PolarHBondContact O-N 3.04Å; D705-Q709 VanDerWaalsContact O-CB 3.32Å; D705-Q709 WeakPolarHBondContact O-CB 3.33Å; D705-Q709 PolarHBondContact O-N 3.41Å |
| 706 | C | 94 | Very high | 93.3 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | N625 K703 K704 Q709 V710 | N625-C706 HydrophobicContact CB-CB 3.89Å; K703-C706 PolarHBondContact O-N 3.25Å; K704-C706 PolarHBondContact O-N 3.45Å; C706-Q709 PolarHBondContact O-N 3.09Å; C706-V710 WeakPolarHBondContact O-CG2 3.21Å; C706-V710 PolarHBondContact O-N 3.33Å; C706-V710 VanDerWaalsContact O-N 3.12Å |
| 707 | L | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 174.9 | 179.7 | 60.5 | 0 | 0 | 0 | 110.7 | L622 L647 F677 I702 K703 K704 Q709 V710 L711 F721 | L622-L707 HydrophobicContact CD2-CD1 4Å; L647-L707 HydrophobicContact CD2-CD2 3.83Å; F677-L707 HydrophobicContact CD2-CD2 4.3Å; I702-L707 HydrophobicContact CD1-CB 4.16Å; I702-L707 HydrophobicContact CD1-CD1 4.24Å; I702-L707 HydrophobicContact CG1-CB 4.19Å; I702-L707 HydrophobicContact CG2-CD2 4.38Å; K703-L707 PolarHBondContact O-N 2.93Å; K704-L707 PolarHBondContact O-N 3.26Å; L707-Q709 VanDerWaalsContact C-N 3.3Å; L707-Q709 PolarHBondContact O-N 2.74Å; L707-V710 PolarHBondContact O-N 3.48Å; L707-L711 HydrophobicContact CD1-CD1 3.94Å; L707-L711 HydrophobicContact CD1-CD2 4.47Å; L707-L711 HydrophobicContact CD1-CG 4Å; L707-L711 HydrophobicContact CD2-CD1 4.46Å; L707-L711 HydrophobicContact CG-CD1 3.78Å; L707-L711 HydrophobicContact CG-CG 4.27Å; L707-L711 WeakPolarHBondContact O-CB 3.43Å; L707-L711 VanDerWaalsContact O-CG 3.27Å; L707-L711 WeakPolarHBondContact O-CG 3.27Å; L707-L711 PolarHBondContact O-N 3Å; L707-F721 HydrophobicContact CD1-CE1 4.11Å; L707-F721 HydrophobicContact CD1-CZ 3.94Å; L707-F721 HydrophobicContact CD2-CE1 4.13Å; L707-F721 HydrophobicContact CD2-CZ 4.19Å |
| 708 | L | 93.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -35 | 178.3 | -72 | 177 | 0 | 0 | 0 | 112.6 | F677 P681 K704 D705 K712 | F677-L708 HydrophobicContact CB-CD2 4.46Å; P681-L708 HydrophobicContact CB-CD1 4.09Å; P681-L708 HydrophobicContact CB-CD2 4.37Å; K704-L708 HydrophobicContact CD-CD1 4.46Å; K704-L708 HydrophobicContact CG-CD1 3.81Å; K704-L708 HydrophobicContact CG-CG 4.4Å; K704-L708 WeakPolarHBondContact O-CB 3.44Å; K704-L708 WeakPolarHBondContact O-CG 3.44Å; K704-L708 PolarHBondContact O-N 3.27Å; D705-L708 PolarHBondContact O-N 3.04Å; L708-K712 VanDerWaalsContact O-CB 3.29Å; L708-K712 WeakPolarHBondContact O-CB 3.38Å; L708-K712 WeakPolarHBondContact O-CD 3.31Å; L708-K712 WeakPolarHBondContact O-CG 3.43Å; L708-K712 PolarHBondContact O-N 3.46Å |
| 709 | Q | 93.9 | Very high | 93.5 | Very high | 134 Ų | 134 | 54.6 Ų | 54.6 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 174.3 | -171.9 | -178.4 | 29.6 | 0 | 0 | 111.6 | D705 C706 L707 K712 F713 | D705-Q709 VanDerWaalsContact O-CB 3.32Å; D705-Q709 WeakPolarHBondContact O-CB 3.33Å; D705-Q709 PolarHBondContact O-N 3.41Å; C706-Q709 PolarHBondContact O-N 3.09Å; L707-Q709 VanDerWaalsContact C-N 3.3Å; L707-Q709 PolarHBondContact O-N 2.74Å; Q709-K712 PolarHBondContact O-N 3.09Å; Q709-F713 PolarHBondContact O-N 3.44Å; Q709-F713 VanDerWaalsContact O-N 3.11Å |
| 710 | V | 94.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | A621 L622 C706 L707 F713 Y714 | A621-V710 HydrophobicContact CB-CG1 4.02Å; A621-V710 HydrophobicContact CB-CG2 4.2Å; L622-V710 HydrophobicContact CD2-CB 4.17Å; L622-V710 HydrophobicContact CD2-CG1 3.78Å; L622-V710 HydrophobicContact CG-CG1 3.94Å; C706-V710 WeakPolarHBondContact O-CG2 3.21Å; C706-V710 PolarHBondContact O-N 3.33Å; C706-V710 VanDerWaalsContact O-N 3.12Å; L707-V710 PolarHBondContact O-N 3.48Å; V710-F713 PolarHBondContact O-N 3.04Å; V710-Y714 HydrophobicContact CG1-CD2 3.83Å; V710-Y714 HydrophobicContact CG1-CE2 4.28Å; V710-Y714 PolarHBondContact O-N 3.29Å |
| 711 | L | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 175.1 | -67 | 174.8 | 0 | 0 | 0 | 112.3 | W678 L707 F713 Y714 S715 F717 A718 F721 | W678-L711 HydrophobicContact CB-CD1 4.3Å; L707-L711 HydrophobicContact CD1-CD1 3.94Å; L707-L711 HydrophobicContact CD1-CD2 4.47Å; L707-L711 HydrophobicContact CD1-CG 4Å; L707-L711 HydrophobicContact CD2-CD1 4.46Å; L707-L711 HydrophobicContact CG-CD1 3.78Å; L707-L711 HydrophobicContact CG-CG 4.27Å; L707-L711 WeakPolarHBondContact O-CB 3.43Å; L707-L711 VanDerWaalsContact O-CG 3.27Å; L707-L711 WeakPolarHBondContact O-CG 3.27Å; L707-L711 PolarHBondContact O-N 3Å; L711-F713 VanDerWaalsContact C-N 3.35Å; L711-Y714 CarbonylContact O-C 3.46Å; L711-Y714 VanDerWaalsContact O-C 3.3Å; L711-S715 PolarHBondContact O-N 3.16Å; L711-F717 HydrophobicContact CD2-CD1 4.16Å; L711-F717 HydrophobicContact CD2-CE1 4.26Å; L711-A718 HydrophobicContact CB-CB 4.02Å; L711-A718 HydrophobicContact CD2-CB 3.99Å; L711-F721 HydrophobicContact CD1-CD1 3.94Å; L711-F721 HydrophobicContact CD1-CE1 3.99Å; L711-F721 HydrophobicContact CD2-CB 4.09Å; L711-F721 HydrophobicContact CD2-CD1 3.68Å; L711-F721 HydrophobicContact CD2-CE1 4.26Å; L711-F721 HydrophobicContact CD2-CG 3.94Å; L711-F721 HydrophobicContact CG-CD1 4.47Å |
| 712 | K | 93.2 | Very high | 93.2 | Very high | 158 Ų | 158 | 56.4 Ų | 56.4 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | 173.3 | -77.2 | 169.3 | -178.1 | 177.6 | 0 | 112.3 | L708 Q709 | L708-K712 VanDerWaalsContact O-CB 3.29Å; L708-K712 WeakPolarHBondContact O-CB 3.38Å; L708-K712 WeakPolarHBondContact O-CD 3.31Å; L708-K712 WeakPolarHBondContact O-CG 3.43Å; L708-K712 PolarHBondContact O-N 3.46Å; Q709-K712 PolarHBondContact O-N 3.09Å |
| 713 | F | 93.6 | Very high | 93 | Very high | 159 Ų | 159 | 65.3 Ų | 65.3 | 70% | 0.697 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.2 | -40.6 | 177.4 | -170.5 | -88.4 | 0 | 0 | 0 | 112.5 | Q709 V710 L711 | Q709-F713 PolarHBondContact O-N 3.44Å; Q709-F713 VanDerWaalsContact O-N 3.11Å; V710-F713 PolarHBondContact O-N 3.04Å; L711-F713 VanDerWaalsContact C-N 3.35Å |
| 714 | Y | 94.4 | Very high | 92.9 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 59.3 | 177.4 | -64 | -74.6 | 0 | 0 | 0 | 111.7 | G617 C618 A621 V710 L711 A716 F717 A718 | G617-Y714 PolarHBondContact O-OH 3.35Å; C618-Y714 HydrophobicContact CB-CD1 4.13Å; C618-Y714 HydrophobicContact CB-CD2 3.83Å; C618-Y714 HydrophobicContact CB-CE1 4.2Å; C618-Y714 HydrophobicContact CB-CE2 3.9Å; C618-Y714 HydrophobicContact CB-CG 3.95Å; C618-Y714 VanDerWaalsContact SG-CD2 3.6Å; A621-Y714 HydrophobicContact CB-CE2 3.94Å; V710-Y714 HydrophobicContact CG1-CD2 3.83Å; V710-Y714 HydrophobicContact CG1-CE2 4.28Å; V710-Y714 PolarHBondContact O-N 3.29Å; L711-Y714 CarbonylContact O-C 3.46Å; L711-Y714 VanDerWaalsContact O-C 3.3Å; Y714-A716 VanDerWaalsContact C-N 3.26Å; Y714-A716 PolarHBondContact O-N 3.4Å; Y714-A716 VanDerWaalsContact O-N 3.15Å; Y714-F717 WeakPolarHBondContact O-CA 3.4Å; Y714-F717 WeakPolarHBondContact O-CB 3.42Å; Y714-F717 PolarHBondContact O-N 3.16Å; Y714-A718 PolarHBondContact O-N 2.61Å |
| 715 | S | 91.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 56% | 0.559 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.6 | -38.1 | -176.8 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | L711 F717 A718 N719 | L711-S715 PolarHBondContact O-N 3.16Å; S715-F717 VanDerWaalsContact C-N 3.31Å; S715-F717 PolarHBondContact O-N 2.93Å; S715-A718 WeakPolarHBondContact O-CB 3.24Å; S715-A718 PolarHBondContact O-N 3.02Å; S715-N719 PolarHBondContact O-N 2.94Å |
| 716 | A | 90.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 74% | 0.736 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y714 | Y714-A716 VanDerWaalsContact C-N 3.26Å; Y714-A716 PolarHBondContact O-N 3.4Å; Y714-A716 VanDerWaalsContact O-N 3.15Å |
| 717 | F | 93.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.9 | -36.1 | 172.9 | 174.7 | -110.1 | 0 | 0 | 0 | 111.6 | A610 F611 A614 C618 L622 L711 Y714 S715 N719 S720 F721 | A610-F717 VanDerWaalsContact O-CE2 3.3Å; A610-F717 WeakPolarHBondContact O-CE2 3.25Å; A610-F717 WeakPolarHBondContact O-CZ 3.23Å; F611-F717 HydrophobicContact CD1-CZ 4.19Å; A614-F717 HydrophobicContact CB-CD2 3.98Å; A614-F717 HydrophobicContact CB-CE2 3.59Å; A614-F717 HydrophobicContact CB-CZ 3.92Å; C618-F717 VanDerWaalsContact SG-CD1 3.54Å; L622-F717 HydrophobicContact CD1-CE1 4.21Å; L711-F717 HydrophobicContact CD2-CD1 4.16Å; L711-F717 HydrophobicContact CD2-CE1 4.26Å; Y714-F717 WeakPolarHBondContact O-CA 3.4Å; Y714-F717 WeakPolarHBondContact O-CB 3.42Å; Y714-F717 PolarHBondContact O-N 3.16Å; S715-F717 VanDerWaalsContact C-N 3.31Å; S715-F717 PolarHBondContact O-N 2.93Å; F717-N719 VanDerWaalsContact C-N 3.29Å; F717-N719 PolarHBondContact O-N 3.47Å; F717-S720 CarbonylContact O-C 3.59Å; F717-S720 WeakPolarHBondContact O-CA 3.17Å; F717-S720 WeakPolarHBondContact O-CB 3.31Å; F717-S720 PolarHBondContact O-N 2.87Å; F717-F721 HydrophobicContact CD1-CB 4.31Å; F717-F721 HydrophobicContact CE1-CB 3.87Å; F717-F721 AromaticContact CE1-CD2 3.85Å; F717-F721 HydrophobicContact CE1-CD2 3.85Å; F717-F721 HydrophobicContact CE1-CG 4.09Å; F717-F721 HydrophobicContact CE2-CB 4.46Å; F717-F721 HydrophobicContact CZ-CB 3.95Å; F717-F721 AromaticContact CZ-CD2 3.75Å; F717-F721 HydrophobicContact CZ-CD2 3.75Å; F717-F721 HydrophobicContact CZ-CG 4.25Å; F717-F721 PolarHBondContact O-N 3.35Å |
| 718 | A | 92.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L711 Y714 S715 S720 F721 A722 | L711-A718 HydrophobicContact CB-CB 4.02Å; L711-A718 HydrophobicContact CD2-CB 3.99Å; Y714-A718 PolarHBondContact O-N 2.61Å; S715-A718 WeakPolarHBondContact O-CB 3.24Å; S715-A718 PolarHBondContact O-N 3.02Å; A718-S720 PolarHBondContact O-N 3.35Å; A718-F721 PolarHBondContact O-N 3.35Å; A718-A722 VanDerWaalsContact O-CB 3.24Å; A718-A722 WeakPolarHBondContact O-CB 3.32Å; A718-A722 PolarHBondContact O-N 3.41Å |
| 719 | N | 90.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 66 Ų | 66 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.6 | -18.4 | 174.4 | -69.2 | -19.5 | 0 | 0 | 0 | 114 | S715 F717 R723 | S715-N719 PolarHBondContact O-N 2.94Å; F717-N719 VanDerWaalsContact C-N 3.29Å; F717-N719 PolarHBondContact O-N 3.47Å; N719-R723 PolarHBondContact O-NE 3.48Å |
| 720 | S | 91.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -88 | -44.2 | 171.3 | -162.8 | 0 | 0 | 0 | 0 | 111.4 | L613 F717 A718 A722 R723 N724 | L613-S720 VanDerWaalsContact CD1-OG 3.25Å; L613-S720 WeakPolarHBondContact CD1-OG 3.28Å; F717-S720 CarbonylContact O-C 3.59Å; F717-S720 WeakPolarHBondContact O-CA 3.17Å; F717-S720 WeakPolarHBondContact O-CB 3.31Å; F717-S720 PolarHBondContact O-N 2.87Å; A718-S720 PolarHBondContact O-N 3.35Å; S720-A722 PolarHBondContact O-N 3Å; S720-R723 PolarHBondContact O-N 3.46Å; S720-N724 WeakPolarHBondContact O-CB 3.23Å; S720-N724 VanDerWaalsContact O-CG 3.31Å; S720-N724 PolarHBondContact O-N 3.47Å; S720-N724 PolarHBondContact O-OD1 2.81Å |
| 721 | F | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 176.5 | -175.7 | -103.7 | 0 | 0 | 0 | 111 | A610 F611 L647 W678 L707 L711 F717 A718 R723 N724 L725 | A610-F721 HydrophobicContact CB-CD2 4.04Å; A610-F721 HydrophobicContact CB-CE2 4.24Å; F611-F721 HydrophobicContact CD1-CE2 4.48Å; F611-F721 HydrophobicContact CE1-CD2 4.23Å; F611-F721 AromaticContact CE1-CE2 3.65Å; F611-F721 HydrophobicContact CE1-CE2 3.65Å; F611-F721 AromaticContact CZ-CE2 3.86Å; F611-F721 HydrophobicContact CZ-CE2 3.86Å; L647-F721 HydrophobicContact CD2-CZ 4.39Å; W678-F721 HydrophobicContact CD2-CD1 4.48Å; W678-F721 HydrophobicContact CD2-CE1 4.4Å; W678-F721 HydrophobicContact CE3-CD1 4.27Å; W678-F721 AromaticContact CE3-CE1 3.76Å; W678-F721 HydrophobicContact CE3-CE1 3.76Å; W678-F721 HydrophobicContact CH2-CE1 4.18Å; W678-F721 HydrophobicContact CZ3-CD1 4.42Å; W678-F721 AromaticContact CZ3-CE1 3.65Å; W678-F721 HydrophobicContact CZ3-CE1 3.65Å; W678-F721 HydrophobicContact CZ3-CZ 4.42Å; L707-F721 HydrophobicContact CD1-CE1 4.11Å; L707-F721 HydrophobicContact CD1-CZ 3.94Å; L707-F721 HydrophobicContact CD2-CE1 4.13Å; L707-F721 HydrophobicContact CD2-CZ 4.19Å; L711-F721 HydrophobicContact CD1-CD1 3.94Å; L711-F721 HydrophobicContact CD1-CE1 3.99Å; L711-F721 HydrophobicContact CD2-CB 4.09Å; L711-F721 HydrophobicContact CD2-CD1 3.68Å; L711-F721 HydrophobicContact CD2-CE1 4.26Å; L711-F721 HydrophobicContact CD2-CG 3.94Å; L711-F721 HydrophobicContact CG-CD1 4.47Å; F717-F721 HydrophobicContact CD1-CB 4.31Å; F717-F721 HydrophobicContact CE1-CB 3.87Å; F717-F721 AromaticContact CE1-CD2 3.85Å; F717-F721 HydrophobicContact CE1-CD2 3.85Å; F717-F721 HydrophobicContact CE1-CG 4.09Å; F717-F721 HydrophobicContact CE2-CB 4.46Å; F717-F721 HydrophobicContact CZ-CB 3.95Å; F717-F721 AromaticContact CZ-CD2 3.75Å; F717-F721 HydrophobicContact CZ-CD2 3.75Å; F717-F721 HydrophobicContact CZ-CG 4.25Å; F717-F721 PolarHBondContact O-N 3.35Å; A718-F721 PolarHBondContact O-N 3.35Å; F721-R723 PolarHBondContact O-N 2.99Å; F721-R723 VanDerWaalsContact O-N 3.15Å; F721-N724 PolarHBondContact O-N 3.27Å; F721-L725 HydrophobicContact CE1-CD2 3.79Å; F721-L725 HydrophobicContact CE2-CD2 3.73Å; F721-L725 HydrophobicContact CZ-CD2 3.3Å; F721-L725 VanDerWaalsContact O-CB 3.27Å; F721-L725 WeakPolarHBondContact O-CB 3.24Å; F721-L725 PolarHBondContact O-N 2.77Å |
| 722 | A | 92.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -18.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W678 A718 S720 | W678-A722 VanDerWaalsContact CD1-CB 3.41Å; W678-A722 HydrophobicContact CG-CB 4.29Å; W678-A722 VanDerWaalsContact NE1-CB 3.34Å; A718-A722 VanDerWaalsContact O-CB 3.24Å; A718-A722 WeakPolarHBondContact O-CB 3.32Å; A718-A722 PolarHBondContact O-N 3.41Å; S720-A722 PolarHBondContact O-N 3Å |
| 723 | R | 91.5 | Very high | 92.4 | Very high | 188 Ų | 188 | 59 Ų | 59 | 71% | 0.709 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -99.6 | -32.9 | 176.2 | -70.6 | -175.7 | -65.4 | 152.9 | 5.7 | 112.9 | N719 S720 F721 | N719-R723 PolarHBondContact O-NE 3.48Å; S720-R723 PolarHBondContact O-N 3.46Å; F721-R723 PolarHBondContact O-N 2.99Å; F721-R723 VanDerWaalsContact O-N 3.15Å |
| 724 | N | 92.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -93.1 | -20.7 | -174.8 | -67.8 | 11.4 | 0 | 0 | 0 | 113.2 | P609 A610 S720 F721 V726 | P609-N724 PolarHBondContact O-ND2 3.41Å; A610-N724 HydrophobicContact CB-CB 4.49Å; S720-N724 WeakPolarHBondContact O-CB 3.23Å; S720-N724 VanDerWaalsContact O-CG 3.31Å; S720-N724 PolarHBondContact O-N 3.47Å; S720-N724 PolarHBondContact O-OD1 2.81Å; F721-N724 PolarHBondContact O-N 3.27Å; N724-V726 PolarHBondContact O-N 2.87Å |
| 725 | L | 92.6 | Very high | 92 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | trans | -91.5 | 95.5 | 176.2 | -173.7 | 58.8 | 0 | 0 | 0 | 110.6 | A610 L647 F649 V672 W678 F721 | A610-L725 HydrophobicContact CB-CB 3.83Å; A610-L725 HydrophobicContact CB-CD1 4.12Å; A610-L725 HydrophobicContact CB-CG 4.47Å; L647-L725 HydrophobicContact CD2-CD2 3.94Å; F649-L725 HydrophobicContact CE1-CD1 4.05Å; F649-L725 HydrophobicContact CZ-CD2 4.29Å; V672-L725 HydrophobicContact CB-CD1 4.43Å; V672-L725 HydrophobicContact CG1-CD1 4.26Å; V672-L725 HydrophobicContact CG2-CD1 4.08Å; W678-L725 HydrophobicContact CH2-CB 4.4Å; W678-L725 HydrophobicContact CH2-CD2 3.62Å; W678-L725 HydrophobicContact CH2-CG 4.12Å; W678-L725 HydrophobicContact CZ3-CD2 4.06Å; F721-L725 HydrophobicContact CE1-CD2 3.79Å; F721-L725 HydrophobicContact CE2-CD2 3.73Å; F721-L725 HydrophobicContact CZ-CD2 3.3Å; F721-L725 VanDerWaalsContact O-CB 3.27Å; F721-L725 WeakPolarHBondContact O-CB 3.24Å; F721-L725 PolarHBondContact O-N 2.77Å | ||
| 726 | V | 90.9 | Very high | 91.9 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 70% | 0.703 | 32% | 0.318 | S | S | * | . | trans | -86 | 133.7 | 163.1 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | N724 | N724-V726 PolarHBondContact O-N 2.87Š| ||
| 727 | L | 92.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 58 Ų | 58 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | trans | -84.3 | 136.3 | 170.1 | -58.3 | 179 | 0 | 0 | 0 | 109 | L647 V672 P676 Y729 D730 | L647-L727 HydrophobicContact CD1-CD2 3.62Å; V672-L727 HydrophobicContact CB-CD2 4.2Å; V672-L727 HydrophobicContact CG1-CD2 3.74Å; P676-L727 HydrophobicContact CB-CD1 4.28Å; P676-L727 HydrophobicContact CG-CD1 4.43Å; L727-Y729 VanDerWaalsContact C-N 3.31Å; L727-D730 HydrophobicContact CD1-CB 4.36Å | ||
| 728 | T | 93.6 | Very high | 91.6 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -67.5 | -36.9 | 171.5 | -47.5 | 0 | 0 | 0 | 0 | 110.5 | L667 D671 V672 | L667-T728 HydrophobicContact CD2-CG2 3.67Å; D671-T728 WeakPolarHBondContact CA-OG1 3.24Å; D671-T728 HydrophobicContact CB-CG2 4.14Å; D671-T728 WeakPolarHBondContact CB-OG1 3.45Å; D671-T728 WeakPolarHBondContact OD1-CB 3.49Å; D671-T728 WeakPolarHBondContact OD1-CG2 3.46Å; D671-T728 PolarHBondContact OD1-OG1 3.24Å; V672-T728 PolarHBondContact N-OG1 3.14Å; V672-T728 PolarHBondContact O-N 3.21Å |
| 729 | Y | 93.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 66.9 Ų | 66.9 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 125.5 | 173.4 | -163.3 | -79.1 | 0 | 0 | 0 | 111.1 | V657 V664 A665 V672 F673 G674 A689 L727 L731 L735 | V657-Y729 HydrophobicContact CG1-CD1 4.24Å; V657-Y729 HydrophobicContact CG1-CD2 4.28Å; V657-Y729 HydrophobicContact CG1-CE1 4.03Å; V657-Y729 HydrophobicContact CG1-CE2 4.04Å; V657-Y729 HydrophobicContact CG1-CG 4.37Å; V664-Y729 HydrophobicContact CB-CE2 4.42Å; V664-Y729 HydrophobicContact CG2-CE2 3.79Å; A665-Y729 HydrophobicContact CB-CD2 3.66Å; A665-Y729 HydrophobicContact CB-CE2 4.11Å; V672-Y729 PolarHBondContact O-N 3.19Å; F673-Y729 WeakPolarHBondContact CA-O 3.19Å; G674-Y729 PolarHBondContact N-O 3.48Å; A689-Y729 HydrophobicContact CB-CE1 4.44Å; L727-Y729 VanDerWaalsContact C-N 3.31Å; Y729-L731 HydrophobicContact CD1-CD2 3.78Å; Y729-L731 HydrophobicContact CD1-CG 4.39Å; Y729-L731 HydrophobicContact CE1-CD2 3.97Å; Y729-L735 HydrophobicContact CE2-CD1 3.75Å; Y729-L735 WeakPolarHBondContact OH-CD1 3.27Å |
| 730 | D | 93.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 105.6 | 173.9 | -173 | -16 | 0 | 0 | 0 | 109.8 | G674 P676 L727 K732 T733 | G674-D730 WeakPolarHBondContact O-CA 3.25Å; P676-D730 VanDerWaalsContact CD-OD2 3.26Å; P676-D730 WeakPolarHBondContact CD-OD2 3.33Å; L727-D730 HydrophobicContact CD1-CB 4.36Å; D730-K732 PolarHBondContact O-N 2.86Å; D730-K732 WeakPolarHBondContact OD1-CB 3.5Å; D730-K732 PolarHBondContact OD1-N 2.9Å; D730-T733 HydrophobicContact CB-CG2 4.16Å; D730-T733 PolarHBondContact O-N 3.36Å; D730-T733 PolarHBondContact O-OG1 2.72Å |
| 731 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20 | -176.6 | -68.6 | 178.5 | 0 | 0 | 0 | 112.9 | F638 I644 F673 G674 A688 V691 Y729 T733 | F638-L731 HydrophobicContact CB-CD1 4.42Å; F638-L731 HydrophobicContact CD2-CD1 3.45Å; F638-L731 VanDerWaalsContact CD2-CD1 3.45Å; F638-L731 HydrophobicContact CE2-CD1 3.68Å; F638-L731 HydrophobicContact CG-CD1 3.95Å; F638-L731 HydrophobicContact CZ-CD1 4.35Å; I644-L731 HydrophobicContact CD1-CB 3.6Å; I644-L731 HydrophobicContact CG1-CB 4.11Å; F673-L731 HydrophobicContact CD2-CD1 4.26Å; G674-L731 PolarHBondContact O-N 3.41Å; A688-L731 WeakPolarHBondContact CB-O 3.34Å; A688-L731 PolarHBondContact N-O 2.95Å; V691-L731 HydrophobicContact CG2-CD1 4.45Å; V691-L731 HydrophobicContact CG2-CD2 3.73Å; Y729-L731 HydrophobicContact CD1-CD2 3.78Å; Y729-L731 HydrophobicContact CD1-CG 4.39Å; Y729-L731 HydrophobicContact CE1-CD2 3.97Å; L731-T733 VanDerWaalsContact C-N 3.27Å; L731-T733 PolarHBondContact O-N 3.12Å |
| 732 | K | 91 | Very high | 90.9 | Very high | 59 Ų | 59 | 73.9 Ų | 73.9 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.3 | 173.2 | -174.8 | 179.1 | -168.1 | 153.5 | 0 | 112 | E675 D680 N685 D730 | E675-K732 HydrophobicContact CG-CB 4.28Å; E675-K732 HydrophobicContact CG-CD 4.04Å; E675-K732 WeakPolarHBondContact OE1-CD 3.4Å; E675-K732 IonicContact OE1-NZ 2.74Å; E675-K732 PolarHBondContact OE1-NZ 3.03Å; D680-K732 IonicContact OD2-NZ 2.73Å; D680-K732 PolarHBondContact OD2-NZ 3.28Å; N685-K732 HydrophobicContact CB-CD 4.29Å; N685-K732 HydrophobicContact CB-CG 3.96Å; N685-K732 VanDerWaalsContact CG-CE 3.42Å; N685-K732 WeakPolarHBondContact ND2-CE 3.37Å; N685-K732 PolarHBondContact ND2-NZ 3.22Å; N685-K732 VanDerWaalsContact ND2-NZ 3.1Å; N685-K732 WeakPolarHBondContact OD1-CE 3.34Å; D730-K732 PolarHBondContact O-N 2.86Å; D730-K732 WeakPolarHBondContact OD1-CB 3.5Å; D730-K732 PolarHBondContact OD1-N 2.9Å |
| 733 | T | 90 | Very high | 90.8 | Very high | 67 Ų | 67 | 74.9 Ų | 74.9 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -89.9 | 114.3 | -170.7 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | D730 L731 L735 | D730-T733 HydrophobicContact CB-CG2 4.16Å; D730-T733 PolarHBondContact O-N 3.36Å; D730-T733 PolarHBondContact O-OG1 2.72Å; L731-T733 VanDerWaalsContact C-N 3.27Å; L731-T733 PolarHBondContact O-N 3.12Å; T733-L735 PolarHBondContact O-N 3.28Å |
| 734 | R | 90.9 | Very high | 90.7 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | trans | -82.7 | 115.4 | 176.6 | -173.5 | 166.4 | 170.1 | 71.9 | -1.6 | 110.9 | D660 A688 | D660-R734 IonicContact OD1-CZ 2.75Å; D660-R734 VanDerWaalsContact OD1-CZ 3.24Å; D660-R734 IonicContact OD1-NH1 2.8Å; D660-R734 PolarHBondContact OD1-NH1 2.88Å; D660-R734 IonicContact OD1-NH2 2.69Å; D660-R734 PolarHBondContact OD1-NH2 2.71Å; D660-R734 IonicContact OD2-CZ 4Å; D660-R734 VanDerWaalsContact OD2-CZ 3.28Å; D660-R734 IonicContact OD2-NH1 3.83Å; D660-R734 PolarHBondContact OD2-NH1 3.14Å; D660-R734 VanDerWaalsContact OD2-NH1 3.15Å; D660-R734 IonicContact OD2-NH2 2.82Å; D660-R734 PolarHBondContact OD2-NH2 3.45Å; A688-R734 HydrophobicContact CB-CB 3.7Å; A688-R734 HydrophobicContact CB-CG 4.23Å | ||
| 735 | L | 89.3 | Confident | 90.6 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | trans | -69.1 | 155.8 | -176.5 | -75.4 | 173.6 | 0 | 0 | 0 | 113.1 | Q659 V664 Y729 T733 F737 | Q659-L735 PolarHBondContact NE2-O 2.88Å; V664-L735 HydrophobicContact CB-CD1 3.79Å; V664-L735 HydrophobicContact CG1-CD1 4.11Å; V664-L735 HydrophobicContact CG2-CD1 4.31Å; Y729-L735 HydrophobicContact CE2-CD1 3.75Å; Y729-L735 WeakPolarHBondContact OH-CD1 3.27Å; T733-L735 PolarHBondContact O-N 3.28Å; L735-F737 HydrophobicContact CB-CD1 4.17Å; L735-F737 HydrophobicContact CB-CE1 4.29Å | ||
| 736 | I | 89.6 | Confident | 90.2 | Very high | 115 Ų | 115 | 81.6 Ų | 81.6 | 59% | 0.59 | 40% | 0.397 | S | S | * | . | trans | -117.1 | 79.6 | -160.4 | -61.4 | -165.1 | 0 | 0 | 0 | 109.9 | R811 | I736-R811 HydrophobicContact CD1-CG 4.41Å; I736-R811 HydrophobicContact CG2-CB 4.41Å; I736-R811 HydrophobicContact CG2-CG 4.01Å | ||
| 737 | F | 89.7 | Confident | 90.1 | Very high | 64 Ų | 64 | 83.2 Ų | 83.2 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | trans | -129.4 | 178.7 | 179 | 61.2 | -90.1 | 0 | 0 | 0 | 112.9 | Q659 D660 E662 V664 L735 | Q659-F737 HydrophobicContact CB-CE1 4.24Å; Q659-F737 HydrophobicContact CB-CZ 4.25Å; Q659-F737 HydrophobicContact CG-CE1 4.42Å; Q659-F737 WeakPolarHBondContact O-CZ 3.39Å; D660-F737 HydrophobicContact CB-CZ 4.2Å; E662-F737 HydrophobicContact CB-CE2 3.98Å; E662-F737 HydrophobicContact CB-CZ 4.14Å; E662-F737 HydrophobicContact CG-CD2 4.45Å; E662-F737 HydrophobicContact CG-CE2 3.68Å; E662-F737 HydrophobicContact CG-CZ 4.3Å; V664-F737 HydrophobicContact CG1-CD1 4.43Å; V664-F737 HydrophobicContact CG1-CE1 3.71Å; V664-F737 HydrophobicContact CG1-CZ 4.23Å; L735-F737 HydrophobicContact CB-CD1 4.17Å; L735-F737 HydrophobicContact CB-CE1 4.29Å | ||
| 738 | R | 88.3 | Confident | 89.7 | Confident | 169 Ų | 169 | 86.2 Ų | 86.2 | 64% | 0.638 | 41% | 0.405 | S | S | * | . | trans | -136.9 | 144.7 | 166.4 | -62.9 | -173.2 | -173.5 | -154.6 | -1.9 | 107.6 | V743 E746 | R738-V743 HydrophobicContact CB-CG2 3.85Å; R738-E746 IonicContact CZ-OE2 2.81Å; R738-E746 VanDerWaalsContact NH1-CD 3.3Å; R738-E746 IonicContact NH1-OE1 3.62Å; R738-E746 PolarHBondContact NH1-OE1 3.2Å; R738-E746 IonicContact NH1-OE2 3.6Å; R738-E746 PolarHBondContact NH1-OE2 3.05Å | ||
| 739 | K | 89.3 | Confident | 89.3 | Confident | 53 Ų | 53 | 87.1 Ų | 87.1 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | trans | -69.9 | 139.6 | 175.6 | -57.1 | -178 | 178 | -106.1 | 0 | 110.3 | D660 E662 A741 D742 V743 | D660-K739 WeakPolarHBondContact O-CE 3.34Å; D660-K739 PolarHBondContact O-NZ 3.35Å; E662-K739 HydrophobicContact CG-CG 4.11Å; E662-K739 VanDerWaalsContact OE1-CD 3.3Å; E662-K739 WeakPolarHBondContact OE1-CD 3.36Å; E662-K739 WeakPolarHBondContact OE1-CE 3.29Å; E662-K739 WeakPolarHBondContact OE1-CG 3.39Å; E662-K739 IonicContact OE1-NZ 3.03Å; E662-K739 PolarHBondContact OE1-NZ 3.37Å; K739-A741 PolarHBondContact O-N 2.89Å; K739-D742 WeakPolarHBondContact CB-OD2 3.44Å; K739-D742 PolarHBondContact O-N 3.44Å; K739-V743 PolarHBondContact O-N 3.35Å; K739-V743 VanDerWaalsContact O-N 3.1Å | ||
| 740 | L | 88 | Confident | 88.8 | Confident | 153 Ų | 153 | 88.2 Ų | 88.2 | 80% | 0.801 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.8 | -31.5 | 179.6 | -70.2 | 173.7 | 0 | 0 | 0 | 112.6 | V743 R744 | L740-V743 PolarHBondContact O-N 2.94Å; L740-R744 WeakPolarHBondContact O-CB 3.4Å; L740-R744 PolarHBondContact O-N 3.2Å |
| 741 | A | 87.8 | Confident | 88.1 | Confident | 62 Ų | 62 | 91 Ų | 91 | 51% | 0.512 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K739 R744 R745 | K739-A741 PolarHBondContact O-N 2.89Å; A741-R744 PolarHBondContact O-N 2.9Å; A741-R745 WeakPolarHBondContact O-CB 3.26Å; A741-R745 PolarHBondContact O-N 3.09Å |
| 742 | D | 88.7 | Confident | 87.4 | Confident | 58 Ų | 58 | 94.9 Ų | 94.9 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.9 | -39.9 | 178.2 | -61 | -34 | 0 | 0 | 0 | 111.3 | K739 R744 R745 E746 | K739-D742 WeakPolarHBondContact CB-OD2 3.44Å; K739-D742 PolarHBondContact O-N 3.44Å; D742-R744 VanDerWaalsContact C-N 3.33Å; D742-R744 PolarHBondContact O-N 3.09Å; D742-R745 PolarHBondContact O-N 3.06Å; D742-R745 IonicContact OD1-CZ 3.96Å; D742-R745 IonicContact OD1-NH1 3.21Å; D742-R745 PolarHBondContact OD1-NH1 3.24Å; D742-R745 IonicContact OD1-NH2 2.91Å; D742-R745 PolarHBondContact OD1-NH2 3.27Å; D742-E746 WeakPolarHBondContact O-CB 3.43Å; D742-E746 WeakPolarHBondContact O-CG 3.48Å; D742-E746 PolarHBondContact O-N 2.74Å |
| 743 | V | 89.4 | Confident | 86.5 | Confident | 63 Ų | 63 | 100.6 Ų | 100.6 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 174 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | R738 K739 L740 Y747 | R738-V743 HydrophobicContact CB-CG2 3.85Å; K739-V743 PolarHBondContact O-N 3.35Å; K739-V743 VanDerWaalsContact O-N 3.1Å; L740-V743 PolarHBondContact O-N 2.94Å; V743-Y747 PolarHBondContact O-N 2.96Å |
| 744 | R | 90.2 | Very high | 85.5 | Confident | 174 Ų | 174 | 103.5 Ų | 103.5 | 66% | 0.657 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 171 | 173.5 | 176.3 | -75.1 | -177.6 | -2.9 | 111.2 | L740 A741 D742 E746 Y747 E748 | L740-R744 WeakPolarHBondContact O-CB 3.4Å; L740-R744 PolarHBondContact O-N 3.2Å; A741-R744 PolarHBondContact O-N 2.9Å; D742-R744 VanDerWaalsContact C-N 3.33Å; D742-R744 PolarHBondContact O-N 3.09Å; R744-E746 VanDerWaalsContact C-N 3.34Å; R744-E746 PolarHBondContact O-N 3.23Å; R744-Y747 WeakPolarHBondContact O-CA 3.36Å; R744-Y747 WeakPolarHBondContact O-CB 3.49Å; R744-Y747 PolarHBondContact O-N 3.34Å; R744-E748 VanDerWaalsContact CD-OE1 3.25Å; R744-E748 WeakPolarHBondContact CD-OE1 3.39Å; R744-E748 HydrophobicContact CG-CG 4.25Å; R744-E748 WeakPolarHBondContact CG-OE1 3.42Å; R744-E748 WeakPolarHBondContact O-CG 3.47Å; R744-E748 PolarHBondContact O-N 3.41Å |
| 745 | R | 89 | Confident | 84.2 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 179.1 | -155.1 | -172.3 | -49.3 | 103.6 | 7.5 | 112.3 | A741 D742 Y747 L749 | A741-R745 WeakPolarHBondContact O-CB 3.26Å; A741-R745 PolarHBondContact O-N 3.09Å; D742-R745 PolarHBondContact O-N 3.06Å; D742-R745 IonicContact OD1-CZ 3.96Å; D742-R745 IonicContact OD1-NH1 3.21Å; D742-R745 PolarHBondContact OD1-NH1 3.24Å; D742-R745 IonicContact OD1-NH2 2.91Å; D742-R745 PolarHBondContact OD1-NH2 3.27Å; R745-Y747 VanDerWaalsContact C-N 3.32Å; R745-L749 HydrophobicContact CG-CD1 4.25Å; R745-L749 VanDerWaalsContact O-CB 3.26Å; R745-L749 WeakPolarHBondContact O-CB 3.45Å; R745-L749 WeakPolarHBondContact O-CD1 2.88Å; R745-L749 WeakPolarHBondContact O-CG 3.44Å; R745-L749 PolarHBondContact O-N 3.23Å |
| 746 | E | 85 | Confident | 82.5 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 170.5 | -77.9 | -177.4 | 144.7 | 0 | 0 | 111.2 | R738 D742 R744 A750 | R738-E746 IonicContact CZ-OE2 2.81Å; R738-E746 VanDerWaalsContact NH1-CD 3.3Å; R738-E746 IonicContact NH1-OE1 3.62Å; R738-E746 PolarHBondContact NH1-OE1 3.2Å; R738-E746 IonicContact NH1-OE2 3.6Å; R738-E746 PolarHBondContact NH1-OE2 3.05Å; D742-E746 WeakPolarHBondContact O-CB 3.43Å; D742-E746 WeakPolarHBondContact O-CG 3.48Å; D742-E746 PolarHBondContact O-N 2.74Å; R744-E746 VanDerWaalsContact C-N 3.34Å; R744-E746 PolarHBondContact O-N 3.23Å; E746-A750 VanDerWaalsContact O-CB 3.25Å; E746-A750 WeakPolarHBondContact O-CB 3.11Å; E746-A750 PolarHBondContact O-N 3.43Å |
| 747 | Y | 88 | Confident | 80.7 | Confident | 150 Ų | 150 | 103.4 Ų | 103.4 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -49.2 | 177.6 | -164 | -80.1 | 0 | 0 | 0 | 112.2 | V743 R744 R745 L749 A750 E751 | V743-Y747 PolarHBondContact O-N 2.96Å; R744-Y747 WeakPolarHBondContact O-CA 3.36Å; R744-Y747 WeakPolarHBondContact O-CB 3.49Å; R744-Y747 PolarHBondContact O-N 3.34Å; R745-Y747 VanDerWaalsContact C-N 3.32Å; Y747-L749 PolarHBondContact O-N 3.05Å; Y747-A750 CarbonylContact O-C 3.49Å; Y747-A750 WeakPolarHBondContact O-CA 3.19Å; Y747-A750 WeakPolarHBondContact O-CB 3.08Å; Y747-A750 PolarHBondContact O-N 3.37Å; Y747-E751 PolarHBondContact O-N 3.42Å |
| 748 | E | 85.5 | Confident | 78.9 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.6 | -70.8 | 164.2 | 177.6 | 0 | 0 | 111.2 | R744 A750 E751 N752 | R744-E748 VanDerWaalsContact CD-OE1 3.25Å; R744-E748 WeakPolarHBondContact CD-OE1 3.39Å; R744-E748 HydrophobicContact CG-CG 4.25Å; R744-E748 WeakPolarHBondContact CG-OE1 3.42Å; R744-E748 WeakPolarHBondContact O-CG 3.47Å; R744-E748 PolarHBondContact O-N 3.41Å; E748-A750 VanDerWaalsContact C-N 3.26Å; E748-A750 PolarHBondContact O-N 3.35Å; E748-E751 PolarHBondContact O-N 2.99Å; E748-E751 VanDerWaalsContact O-N 3.15Å; E748-N752 PolarHBondContact O-N 2.93Å |
| 749 | L | 84.4 | Confident | 77 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -23.3 | 173.7 | -69.8 | 170.3 | 0 | 0 | 0 | 113 | R745 Y747 R753 | R745-L749 HydrophobicContact CG-CD1 4.25Å; R745-L749 VanDerWaalsContact O-CB 3.26Å; R745-L749 WeakPolarHBondContact O-CB 3.45Å; R745-L749 WeakPolarHBondContact O-CD1 2.88Å; R745-L749 WeakPolarHBondContact O-CG 3.44Å; R745-L749 PolarHBondContact O-N 3.23Å; Y747-L749 PolarHBondContact O-N 3.05Å; L749-R753 WeakPolarHBondContact O-CB 3.3Å; L749-R753 WeakPolarHBondContact O-CG 3.12Å; L749-R753 PolarHBondContact O-N 2.83Å; L749-R753 PolarHBondContact O-NE 2.94Å |
| 750 | A | 84.8 | Confident | 75.4 | Confident | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.8 | -20.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E746 Y747 E748 K754 | E746-A750 VanDerWaalsContact O-CB 3.25Å; E746-A750 WeakPolarHBondContact O-CB 3.11Å; E746-A750 PolarHBondContact O-N 3.43Å; Y747-A750 CarbonylContact O-C 3.49Å; Y747-A750 WeakPolarHBondContact O-CA 3.19Å; Y747-A750 WeakPolarHBondContact O-CB 3.08Å; Y747-A750 PolarHBondContact O-N 3.37Å; E748-A750 VanDerWaalsContact C-N 3.26Å; E748-A750 PolarHBondContact O-N 3.35Å; A750-K754 WeakPolarHBondContact O-CE 3.47Å; A750-K754 WeakPolarHBondContact O-CG 3.41Å |
| 751 | E | 78.8 | Confident | 73.9 | Confident | 93 Ų | 93 | 98 Ų | 98 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84.4 | -43.9 | 174.1 | -172.4 | 150.3 | -146.4 | 0 | 0 | 111.4 | Y747 E748 R753 K754 T755 | Y747-E751 PolarHBondContact O-N 3.42Å; E748-E751 PolarHBondContact O-N 2.99Å; E748-E751 VanDerWaalsContact O-N 3.15Å; E751-R753 VanDerWaalsContact C-N 3.26Å; E751-R753 PolarHBondContact O-N 3.39Å; E751-K754 WeakPolarHBondContact O-CA 3.46Å; E751-K754 VanDerWaalsContact O-CB 3.31Å; E751-K754 WeakPolarHBondContact O-CB 3.4Å; E751-K754 PolarHBondContact O-N 3.36Å; E751-T755 PolarHBondContact O-N 2.75Å; E751-T755 PolarHBondContact O-OG1 2.8Å |
| 752 | N | 77 | Confident | 72.3 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 169.9 | -68.3 | -4.1 | 0 | 0 | 0 | 111.3 | E748 K754 T755 D756 | E748-N752 PolarHBondContact O-N 2.93Å; N752-K754 PolarHBondContact O-N 3.49Å; N752-K754 VanDerWaalsContact O-N 3.15Å; N752-T755 WeakPolarHBondContact CA-OG1 3.35Å; N752-T755 PolarHBondContact O-N 3.02Å; N752-T755 PolarHBondContact O-OG1 3.38Å; N752-D756 WeakPolarHBondContact O-CB 3.37Å; N752-D756 PolarHBondContact O-N 3.12Å |
| 753 | R | 73 | Confident | 70.7 | Confident | 178 Ų | 178 | 104.4 Ų | 104.4 | 67% | 0.672 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.1 | -6.4 | 171.4 | -79.3 | -179.5 | -76.3 | -170.9 | -3.8 | 114.9 | L749 E751 N757 | L749-R753 WeakPolarHBondContact O-CB 3.3Å; L749-R753 WeakPolarHBondContact O-CG 3.12Å; L749-R753 PolarHBondContact O-N 2.83Å; L749-R753 PolarHBondContact O-NE 2.94Å; E751-R753 VanDerWaalsContact C-N 3.26Å; E751-R753 PolarHBondContact O-N 3.39Å; R753-N757 PolarHBondContact O-ND2 3.02Å |
| 754 | K | 69.6 | Low | 69.3 | Low | 129 Ų | 129 | 105 Ų | 105 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -95.8 | -43.8 | 167.4 | -65 | 162.8 | -164.8 | 163.4 | 0 | 111.3 | A750 E751 N752 N757 | A750-K754 WeakPolarHBondContact O-CE 3.47Å; A750-K754 WeakPolarHBondContact O-CG 3.41Å; E751-K754 WeakPolarHBondContact O-CA 3.46Å; E751-K754 VanDerWaalsContact O-CB 3.31Å; E751-K754 WeakPolarHBondContact O-CB 3.4Å; E751-K754 PolarHBondContact O-N 3.36Å; N752-K754 PolarHBondContact O-N 3.49Å; N752-K754 VanDerWaalsContact O-N 3.15Å; K754-N757 WeakPolarHBondContact CA-ND2 3.38Å; K754-N757 PolarHBondContact O-ND2 2.8Å |
| 755 | T | 62.2 | Low | 67.9 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.8 | -43.2 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | E751 N752 N757 | E751-T755 PolarHBondContact O-N 2.75Å; E751-T755 PolarHBondContact O-OG1 2.8Å; N752-T755 WeakPolarHBondContact CA-OG1 3.35Å; N752-T755 PolarHBondContact O-N 3.02Å; N752-T755 PolarHBondContact O-OG1 3.38Å; T755-N757 PolarHBondContact O-N 3.09Å |
| 756 | D | 54.2 | Low | 66.8 | Low | 131 Ų | 131 | 99.1 Ų | 99.1 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 24.7 | 178.1 | -66.4 | -37.3 | 0 | 0 | 0 | 113.7 | N752 A758 | N752-D756 WeakPolarHBondContact O-CB 3.37Å; N752-D756 PolarHBondContact O-N 3.12Å; D756-A758 PolarHBondContact O-N 3.02Å |
| 757 | N | 52.3 | Low | 66.1 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | trans | -73 | 72.6 | 164.7 | -81.7 | -78.6 | 0 | 0 | 0 | 110.3 | R753 K754 T755 L759 S760 | R753-N757 PolarHBondContact O-ND2 3.02Å; K754-N757 WeakPolarHBondContact CA-ND2 3.38Å; K754-N757 PolarHBondContact O-ND2 2.8Å; T755-N757 PolarHBondContact O-N 3.09Å; N757-L759 PolarHBondContact O-N 3.07Å; N757-S760 VanDerWaalsContact O-CB 3.26Å; N757-S760 WeakPolarHBondContact O-CB 3.44Å; N757-S760 PolarHBondContact O-N 3.41Å; N757-S760 PolarHBondContact O-OG 3.4Å | ||
| 758 | A | 50.3 | Low | 65.1 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -11.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D756 S760 S761 | D756-A758 PolarHBondContact O-N 3.02Å; A758-S760 VanDerWaalsContact C-N 3.25Å; A758-S760 PolarHBondContact O-N 3.16Å; A758-S761 PolarHBondContact O-OG 3.38Å |
| 759 | L | 50.3 | Low | 64.1 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 31% | 0.314 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.4 | 168.2 | -78.2 | 161.4 | 0 | 0 | 0 | 114.7 | N757 L762 R769 I772 | N757-L759 PolarHBondContact O-N 3.07Å; L759-L762 HydrophobicContact CD2-CD1 4.42Å; L759-R769 VanDerWaalsContact O-CZ 3.29Å; L759-R769 PolarHBondContact O-NH1 3.23Å; L759-I772 HydrophobicContact CD1-CD1 4.23Å; L759-I772 HydrophobicContact CD1-CG2 4.33Å; L759-I772 HydrophobicContact CD2-CD1 3.78Å |
| 760 | S | 55.8 | Low | 63.1 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -79 | -44.6 | -179.8 | 60 | 0 | 0 | 0 | 0 | 113 | N757 A758 L762 | N757-S760 VanDerWaalsContact O-CB 3.26Å; N757-S760 WeakPolarHBondContact O-CB 3.44Å; N757-S760 PolarHBondContact O-N 3.41Å; N757-S760 PolarHBondContact O-OG 3.4Å; A758-S760 VanDerWaalsContact C-N 3.25Å; A758-S760 PolarHBondContact O-N 3.16Å; S760-L762 VanDerWaalsContact C-N 3.31Å; S760-L762 PolarHBondContact O-N 2.87Å |
| 761 | S | 55.4 | Low | 62.4 | Low | 103 Ų | 103 | 103.3 Ų | 103.3 | 72% | 0.72 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -70.6 | -22.7 | -179.1 | 59 | 0 | 0 | 0 | 0 | 114 | A758 R763 | A758-S761 PolarHBondContact O-OG 3.38Å; S761-R763 PolarHBondContact O-N 2.97Å |
| 762 | L | 54.5 | Low | 61.8 | Low | 55 Ų | 55 | 102.4 Ų | 102.4 | 29% | 0.288 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -72.1 | 107.7 | 178.6 | -74.6 | 167.1 | 0 | 0 | 0 | 111.2 | L759 S760 R769 | L759-L762 HydrophobicContact CD2-CD1 4.42Å; S760-L762 VanDerWaalsContact C-N 3.31Å; S760-L762 PolarHBondContact O-N 2.87Å; L762-R769 WeakPolarHBondContact O-CD 3.38Å; L762-R769 PolarHBondContact O-NH1 3.14Å |
| 763 | R | 55.8 | Low | 61.2 | Low | 199 Ų | 199 | 103.8 Ų | 103.8 | 75% | 0.751 | 54% | 0.536 | S | S | * | . | trans | -40.1 | 140.8 | 173.8 | -168.7 | 178.6 | 175.8 | 136.2 | 3.1 | 112.1 | S761 D765 H766 | S761-R763 PolarHBondContact O-N 2.97Å; R763-D765 WeakPolarHBondContact CD-OD2 3.43Å; R763-D765 WeakPolarHBondContact CG-OD2 3.1Å; R763-D765 IonicContact CZ-OD2 2.62Å; R763-D765 IonicContact NE-OD2 3.5Å; R763-D765 PolarHBondContact NE-OD2 3.03Å; R763-D765 PolarHBondContact O-N 2.67Å; R763-H766 WeakPolarHBondContact O-CB 3.29Å; R763-H766 PolarHBondContact O-N 2.75Å | ||
| 764 | A | 60.2 | Low | 60.9 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 63% | 0.628 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H766 | A764-H766 VanDerWaalsContact C-N 3.31Å; A764-H766 PolarHBondContact O-N 2.68Å |
| 765 | D | 59.5 | Low | 60.7 | Low | 102 Ų | 102 | 103 Ų | 103 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.7 | -176.6 | -42.5 | -49.9 | 0 | 0 | 0 | 113.5 | R763 | R763-D765 WeakPolarHBondContact CD-OD2 3.43Å; R763-D765 WeakPolarHBondContact CG-OD2 3.1Å; R763-D765 IonicContact CZ-OD2 2.62Å; R763-D765 IonicContact NE-OD2 3.5Å; R763-D765 PolarHBondContact NE-OD2 3.03Å; R763-D765 PolarHBondContact O-N 2.67Å |
| 766 | H | 66 | Low | 60.6 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | trans | -66.9 | 131.1 | -166.6 | -163.6 | -106.3 | 0 | 0 | 0 | 113.6 | R763 A764 V768 R769 R770 | R763-H766 WeakPolarHBondContact O-CB 3.29Å; R763-H766 PolarHBondContact O-N 2.75Å; A764-H766 VanDerWaalsContact C-N 3.31Å; A764-H766 PolarHBondContact O-N 2.68Å; H766-V768 VanDerWaalsContact C-N 3.32Å; H766-V768 PolarHBondContact O-N 3.32Å; H766-R769 HydrophobicContact CB-CB 4.42Å; H766-R769 WeakPolarHBondContact O-CB 3.28Å; H766-R769 PolarHBondContact O-N 2.79Å; H766-R770 PolarHBondContact O-N 3.14Å | ||
| 767 | P | 70.5 | Confident | 60.6 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.1 | -35.4 | -173 | 21.9 | -33.6 | 0 | 0 | 0 | 113.6 | R769 R770 M771 | P767-R769 VanDerWaalsContact C-N 3.31Å; P767-R769 PolarHBondContact O-N 3.47Å; P767-R770 PolarHBondContact O-N 3.25Å; P767-M771 PolarHBondContact O-N 3.24Å |
| 768 | V | 67.5 | Low | 60.7 | Low | 68 Ų | 68 | 111.8 Ų | 111.8 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -35.3 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | H766 M771 I772 | H766-V768 VanDerWaalsContact C-N 3.32Å; H766-V768 PolarHBondContact O-N 3.32Å; V768-M771 PolarHBondContact O-N 3.29Å; V768-I772 HydrophobicContact CG1-CD1 3.83Å; V768-I772 WeakPolarHBondContact O-CG1 3.3Å; V768-I772 PolarHBondContact O-N 3.25Å |
| 769 | R | 63 | Low | 60.8 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 38% | 0.377 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.1 | -37.5 | 177.4 | -164.6 | 170.2 | -178.8 | 158.4 | 4.9 | 111 | L759 L762 H766 P767 H773 | L759-R769 VanDerWaalsContact O-CZ 3.29Å; L759-R769 PolarHBondContact O-NH1 3.23Å; L762-R769 WeakPolarHBondContact O-CD 3.38Å; L762-R769 PolarHBondContact O-NH1 3.14Å; H766-R769 HydrophobicContact CB-CB 4.42Å; H766-R769 WeakPolarHBondContact O-CB 3.28Å; H766-R769 PolarHBondContact O-N 2.79Å; P767-R769 VanDerWaalsContact C-N 3.31Å; P767-R769 PolarHBondContact O-N 3.47Å; R769-H773 VanDerWaalsContact O-CB 3.29Å; R769-H773 WeakPolarHBondContact O-CB 3.28Å; R769-H773 PolarHBondContact O-N 2.94Å |
| 770 | R | 64.6 | Low | 60.7 | Low | 181 Ų | 181 | 113.5 Ų | 113.5 | 68% | 0.683 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 168.7 | -72.5 | -173 | 176.6 | -170.7 | -0.1 | 112.4 | H766 P767 H773 K774 | H766-R770 PolarHBondContact O-N 3.14Å; P767-R770 PolarHBondContact O-N 3.25Å; R770-H773 PolarHBondContact O-N 3.18Å; R770-K774 WeakPolarHBondContact O-CB 3.31Å; R770-K774 PolarHBondContact O-N 3.21Å |
| 771 | M | 69.9 | Low | 60.1 | Low | 116 Ų | 116 | 117.1 Ų | 117.1 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -49.3 | 178.6 | -174.2 | 176.6 | -69.2 | 0 | 0 | 111.5 | P767 V768 H773 K774 F775 | P767-M771 PolarHBondContact O-N 3.24Å; V768-M771 PolarHBondContact O-N 3.29Å; M771-H773 PolarHBondContact O-N 3.37Å; M771-K774 WeakPolarHBondContact O-CB 3.49Å; M771-K774 PolarHBondContact O-N 2.75Å; M771-K774 VanDerWaalsContact O-N 3.12Å; M771-F775 HydrophobicContact CG-CD2 3.88Å; M771-F775 HydrophobicContact CG-CE2 3.72Å; M771-F775 WeakPolarHBondContact O-CD2 3.34Å; M771-F775 PolarHBondContact O-N 3.05Å; M771-F775 HydrophobicContact SD-CE2 4.25Å |
| 772 | I | 65.5 | Low | 59.3 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 38% | 0.379 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -37 | 178.7 | -69.6 | 166 | 0 | 0 | 0 | 111.5 | L759 V768 K774 F775 R776 | L759-I772 HydrophobicContact CD1-CD1 4.23Å; L759-I772 HydrophobicContact CD1-CG2 4.33Å; L759-I772 HydrophobicContact CD2-CD1 3.78Å; V768-I772 HydrophobicContact CG1-CD1 3.83Å; V768-I772 WeakPolarHBondContact O-CG1 3.3Å; V768-I772 PolarHBondContact O-N 3.25Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 2.91Å; I772-F775 PolarHBondContact O-N 2.9Å; I772-R776 WeakPolarHBondContact O-CB 3.18Å; I772-R776 PolarHBondContact O-N 3.06Å |
| 773 | H | 64.8 | Low | 58.4 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.3 | -33.3 | 172.8 | -170.7 | -92.1 | 0 | 0 | 0 | 112.6 | R769 R770 M771 R777 | R769-H773 VanDerWaalsContact O-CB 3.29Å; R769-H773 WeakPolarHBondContact O-CB 3.28Å; R769-H773 PolarHBondContact O-N 2.94Å; R770-H773 PolarHBondContact O-N 3.18Å; M771-H773 PolarHBondContact O-N 3.37Å; H773-R777 PolarHBondContact O-N 3.47Å |
| 774 | K | 66.4 | Low | 57.3 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -45.9 | 173.7 | -166.4 | 176.4 | -178.2 | -177.1 | 0 | 111.4 | R770 M771 I772 R777 I778 | R770-K774 WeakPolarHBondContact O-CB 3.31Å; R770-K774 PolarHBondContact O-N 3.21Å; M771-K774 WeakPolarHBondContact O-CB 3.49Å; M771-K774 PolarHBondContact O-N 2.75Å; M771-K774 VanDerWaalsContact O-N 3.12Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 2.91Å; K774-R777 PolarHBondContact O-N 3.19Å; K774-I778 WeakPolarHBondContact O-CG1 3.33Å; K774-I778 PolarHBondContact O-N 2.84Å |
| 775 | F | 66 | Low | 56.3 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.3 | -41.2 | 173.8 | -80.7 | -68.7 | 0 | 0 | 0 | 112.7 | M771 I772 R777 I778 G779 | M771-F775 HydrophobicContact CG-CD2 3.88Å; M771-F775 HydrophobicContact CG-CE2 3.72Å; M771-F775 WeakPolarHBondContact O-CD2 3.34Å; M771-F775 PolarHBondContact O-N 3.05Å; M771-F775 HydrophobicContact SD-CE2 4.25Å; I772-F775 PolarHBondContact O-N 2.9Å; F775-R777 VanDerWaalsContact C-N 3.29Å; F775-R777 PolarHBondContact O-N 3.18Å; F775-I778 HydrophobicContact CD1-CD1 4.47Å; F775-I778 WeakPolarHBondContact O-CB 3.19Å; F775-I778 PolarHBondContact O-N 3.04Å; F775-G779 PolarHBondContact O-N 2.72Å |
| 776 | R | 61.1 | Low | 55 | Low | 194 Ų | 194 | 127.4 Ų | 127.4 | 73% | 0.732 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.9 | -31.6 | 178.5 | -167.2 | 168.6 | -176.9 | 156.3 | 0.6 | 112.9 | I772 T780 | I772-R776 WeakPolarHBondContact O-CB 3.18Å; I772-R776 PolarHBondContact O-N 3.06Å; R776-T780 WeakPolarHBondContact O-CG2 3.41Å; R776-T780 PolarHBondContact O-OG1 3.06Å |
| 777 | R | 53.6 | Low | 53.7 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.4 | -25.1 | 171.6 | -81 | -168.6 | 172.9 | -164.8 | -2.2 | 114.2 | H773 K774 F775 | H773-R777 PolarHBondContact O-N 3.47Å; K774-R777 PolarHBondContact O-N 3.19Å; F775-R777 VanDerWaalsContact C-N 3.29Å; F775-R777 PolarHBondContact O-N 3.18Å |
| 778 | I | 54.8 | Low | 52.2 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.6 | -34.9 | 176.9 | -65.9 | 165.2 | 0 | 0 | 0 | 110.4 | K774 F775 T780 | K774-I778 WeakPolarHBondContact O-CG1 3.33Å; K774-I778 PolarHBondContact O-N 2.84Å; F775-I778 HydrophobicContact CD1-CD1 4.47Å; F775-I778 WeakPolarHBondContact O-CB 3.19Å; F775-I778 PolarHBondContact O-N 3.04Å; I778-T780 PolarHBondContact O-N 2.72Å |
| 779 | G | 52.9 | Low | 50.7 | Low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | F775 | F775-G779 PolarHBondContact O-N 2.72Š|
| 780 | T | 47.9 | Very low | 49.2 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | 33.8 | -171.5 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | R776 I778 | R776-T780 WeakPolarHBondContact O-CG2 3.41Å; R776-T780 PolarHBondContact O-OG1 3.06Å; I778-T780 PolarHBondContact O-N 2.72Å |
| 781 | H | 42.6 | Very low | 47.7 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | -118.3 | 5.9 | -172.7 | -141.4 | -56.8 | 0 | 0 | 0 | 115.8 | ||||
| 782 | N | 37.7 | Very low | 45.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -111.5 | 146.4 | 169.5 | -77.9 | -10.2 | 0 | 0 | 0 | 110.2 | ||
| 783 | Q | 35.8 | Very low | 44.3 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 94% | 0.944 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 70 | 59.1 | 179.8 | -58.3 | -174.7 | -7.4 | 0 | 0 | 117.2 | ||
| 784 | S | 34.2 | Very low | 42.9 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -156.8 | 91.6 | 147.1 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 785 | T | 37.3 | Very low | 41.4 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | 179.9 | 155.3 | 155.4 | 29.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 786 | N | 34.1 | Very low | 40 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | 93.4 | 62.9 | 161.5 | -58 | -9.7 | 0 | 0 | 0 | 119.4 | ||||
| 787 | D | 38.1 | Very low | 38.9 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | -108.1 | 135.2 | 108.9 | -104.7 | -48.9 | 0 | 0 | 0 | 106.7 | |||||
| 788 | S | 37.8 | Very low | 38.1 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -154.7 | -173.7 | -5.7 | -36.8 | 0 | 0 | 0 | 0 | 107.2 | ||
| 789 | P | 37 | Very low | 37.1 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -120.3 | -166.1 | -49.4 | 33.1 | -14.3 | 0 | 0 | 0 | 111.6 | ||||
| 790 | I | 32.1 | Very low | 36.2 | Very low | 174 Ų | 174 | 129 Ų | 129 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | 75.6 | 129.4 | 169.7 | -49.8 | 160.2 | 0 | 0 | 0 | 114.8 | ||||
| 791 | G | 31.4 | Very low | 35.5 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 163.4 | 13.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 792 | S | 32.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 45.7 | 124.2 | 160.1 | 63.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 793 | N | 32.4 | Very low | 34.8 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 75 | 110.1 | 132.4 | -74 | 5.4 | 0 | 0 | 0 | 122.7 | ||||
| 794 | S | 34.7 | Very low | 34.7 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | 105.2 | 116 | 101.2 | -165.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 795 | N | 36.2 | Very low | 34.6 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 57.3 | 105.6 | 135 | -57.7 | 3.2 | 0 | 0 | 0 | 120.7 | ||||
| 796 | N | 36.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | 175.8 | 148.8 | 86.7 | -86.4 | -47.7 | 0 | 0 | 0 | 112.2 | |||||
| 797 | G | 36.1 | Very low | 34.1 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -99.4 | -146.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 798 | P | 38.6 | Very low | 33.6 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | cis | -131 | -179.6 | -5.5 | 41.8 | -26.5 | 0 | 0 | 0 | 113.9 | ||||
| 799 | G | 32.6 | Very low | 33.2 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 161.1 | 105.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 800 | L | 33.7 | Very low | 33 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | 63.9 | 124.4 | 161 | -79.7 | 76.8 | 0 | 0 | 0 | 120.7 | ||||
| 801 | Q | 33.1 | Very low | 32.6 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 173.2 | 158.3 | -73.8 | 153.3 | -92.8 | 0 | 0 | 110.4 | ||||
| 802 | D | 34.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | cis | -146.6 | 142.1 | 27.6 | -118.4 | -41.1 | 0 | 0 | 0 | 115.3 | ||||
| 803 | N | 31.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 20.1 | 118.5 | 148.6 | -72.2 | -56.5 | 0 | 0 | 0 | 121.5 | ||||
| 804 | N | 34.1 | Very low | 32 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -162.7 | 80.7 | 147.4 | -103.9 | -62.8 | 0 | 0 | 0 | 110.5 | ||||
| 805 | D | 32.3 | Very low | 31.7 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -100.7 | 127.7 | 176.6 | -96.9 | -45.8 | 0 | 0 | 0 | 112.3 | ||||
| 806 | M | 28.6 | Very low | 31.2 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -139.3 | 92.6 | 169.5 | -170.9 | -172 | -59.8 | 0 | 0 | 109.4 | ||||
| 807 | I | 31.6 | Very low | 30.8 | Very low | 146 Ų | 146 | 141 Ų | 141 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -89.2 | 126.4 | -172.4 | -69.9 | 178 | 0 | 0 | 0 | 112 | ||||
| 808 | H | 27.1 | Very low | 30.3 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -71.9 | 132.7 | 169.4 | -126.4 | -104.4 | 0 | 0 | 0 | 110.9 | ||||
| 809 | I | 30.9 | Very low | 30 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -176.9 | 146 | 148 | -97.8 | 145.6 | 0 | 0 | 0 | 107.6 | ||||
| 810 | S | 31.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | 162.3 | 129.1 | -26.1 | 177.1 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 811 | R | 24.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 149 Ų | 149 | 54% | 0.543 | 77% | 0.768 | S | S | . | * | trans | -73.7 | 139.2 | -174.4 | -67.3 | 156.2 | 161.4 | -166 | -1.7 | 111.5 | I736 | I736-R811 HydrophobicContact CD1-CG 4.41Å; I736-R811 HydrophobicContact CG2-CB 4.41Å; I736-R811 HydrophobicContact CG2-CG 4.01Å | ||
| 812 | K | 29.4 | Very low | 29.5 | Very low | 211 Ų | 211 | 151.5 Ų | 151.5 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -140.5 | 154.9 | 156.1 | -146.5 | 173.4 | -175.9 | -177.8 | 0 | 110 | ||||
| 813 | S | 26 | Very low | 29.1 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -132.1 | 177.9 | -163.5 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 814 | I | 27.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 102 | 145.2 | 160.4 | -59.4 | 157.7 | 0 | 0 | 0 | 116.8 | ||||
| 815 | T | 29 | Very low | 28.6 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | 72.7 | 107.5 | 165.3 | 34.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 816 | F | 25.7 | Very low | 28.4 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | 37.7 | 134.3 | 109 | -89.2 | -92.3 | 0 | 0 | 0 | 120.6 | |||||
| 817 | G | 28.7 | Very low | 28.2 | Very low | 65 Ų | 65 | 150.1 Ų | 150.1 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 133.5 | 97.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 818 | D | 25.8 | Very low | 27.9 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 34.5 | 163.5 | 144.3 | -53 | -16.6 | 0 | 0 | 0 | 123.7 | ||||
| 819 | Y | 31.6 | Very low | 28 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 77.9 | 88.3 | 167.2 | -71.2 | -76.1 | 0 | 0 | 0 | 119.6 | ||||
| 820 | D | 28.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | 27.3 | 132.1 | 110.9 | -63.3 | -24.6 | 0 | 0 | 0 | 120.6 | |||||
| 821 | D | 28.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | 63.7 | 111.9 | 145.4 | -145.2 | 16.3 | 0 | 0 | 0 | 118.9 | ||||
| 822 | Y | 31.2 | Very low | 28 | Very low | 220 Ų | 220 | 149.7 Ų | 149.7 | 86% | 0.863 | 75% | 0.745 | S | S | * | * | -160.2 | 154.9 | 97.1 | -116.5 | -88.7 | 0 | 0 | 0 | 112 | |||||
| 823 | S | 27.4 | Very low | 27.8 | Very low | 81 Ų | 81 | 147 Ų | 147 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | trans | -109.1 | 138.2 | -173 | 122.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 824 | K | 25.7 | Very low | 28.1 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 69.3 | 143.3 | 167.4 | -59 | 169.2 | -178.1 | 179.2 | 0 | 114.4 | ||||
| 825 | D | 29.2 | Very low | 28.1 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | -164.4 | 171.5 | 79.4 | -103.9 | -15.7 | 0 | 0 | 0 | 114.6 | |||||
| 826 | F | 27.9 | Very low | 28.2 | Very low | 172 Ų | 172 | 154 Ų | 154 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 65.6 | 87.1 | 161.1 | -93.5 | -97 | 0 | 0 | 0 | 121.6 | ||||
| 827 | E | 25 | Very low | 28.3 | Very low | 145 Ų | 145 | 153.7 Ų | 153.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | 30.1 | 132.9 | 108.5 | -67 | -170.2 | 121.2 | 0 | 0 | 123.2 | |||||
| 828 | F | 24.3 | Very low | 28.4 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | 95.5 | 141.8 | 129.8 | -95.1 | -123.4 | 0 | 0 | 0 | 122.8 | |||||
| 829 | N | 28.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 156 Ų | 156 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | trans | 64.5 | 149.8 | 161.1 | -78.4 | 34.2 | 0 | 0 | 0 | 120.2 | ||||
| 830 | E | 26.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | cis | 178.4 | 168.1 | -28.9 | -116.1 | 178.3 | 157.1 | 0 | 0 | 105.7 | ||||
| 831 | D | 29 | Very low | 28.6 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 103.4 | 139.1 | 153.9 | -61.1 | -36.3 | 0 | 0 | 0 | 123 | ||||
| 832 | H | 32.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 155 Ų | 155 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | 57.1 | 114.6 | 170.9 | -55.1 | -55.9 | 0 | 0 | 0 | 118.5 | ||||
| 833 | E | 26.6 | Very low | 28.5 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | 68.3 | 118.1 | 59.9 | -68 | -164.5 | 115 | 0 | 0 | 114.9 | |||||
| 834 | D | 31.9 | Very low | 28.4 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | -161.5 | 177.1 | 103.3 | -138.4 | -33.7 | 0 | 0 | 0 | 112.6 | |||||
| 835 | Q | 27.3 | Very low | 28.5 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | -110.8 | 149.8 | -155.8 | -52.8 | 171.5 | 14.7 | 0 | 0 | 116.5 | ||||
| 836 | Y | 31.2 | Very low | 28.4 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | trans | -159.6 | 111.7 | 132.5 | -89.9 | -75.6 | 0 | 0 | 0 | 107.9 | ||||
| 837 | R | 26.9 | Very low | 28.3 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | 63.3 | 120.4 | 82.9 | -160.3 | -179.9 | -167.8 | -177.9 | 5.4 | 111.4 | |||||
| 838 | N | 31.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | cis | -162.1 | 168.6 | 19.3 | -127.3 | 11.4 | 0 | 0 | 0 | 108.2 | ||||
| 839 | Q | 31.5 | Very low | 28.4 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | cis | -165.1 | -172.4 | -7.3 | -147.3 | 172.9 | -5.1 | 0 | 0 | 108.8 | ||||
| 840 | N | 30.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 59.6 | 95.1 | 158.7 | -61.4 | -10.4 | 0 | 0 | 0 | 117.7 | ||||
| 841 | K | 27.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 73% | 0.726 | 72% | 0.721 | S | S | * | * | cis | 108.1 | 148.7 | 22.2 | -164 | -167.4 | 173.1 | -174.4 | 0 | 112.2 | ||||
| 842 | F | 29.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | trans | 76.4 | 129.9 | -179.1 | -87.3 | -101.2 | 0 | 0 | 0 | 115.7 | ||||
| 843 | E | 28.8 | Very low | 28 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | cis | -158.7 | 163.5 | -27.8 | -139.6 | 162.1 | -132.3 | 0 | 0 | 109.7 | ||||
| 844 | S | 24.3 | Very low | 28.1 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -105.3 | 146 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 845 | L | 27.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | -172.5 | 134.5 | 129.6 | -122.3 | 72 | 0 | 0 | 0 | 113.8 | |||||
| 846 | N | 26.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | trans | 46 | 124.5 | 134.3 | -65.6 | -1.2 | 0 | 0 | 0 | 123.6 | ||||
| 847 | T | 26.8 | Very low | 27.7 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | trans | 74 | 125.1 | 130.7 | 57.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 848 | S | 24.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 86.5 | 137.2 | 138.5 | -61.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 849 | T | 26.9 | Very low | 27.7 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | 66.6 | 96.7 | 147.1 | 42.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 850 | T | 26.2 | Very low | 27.6 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | 85.9 | 141.8 | 120.9 | -33.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 851 | T | 27.6 | Very low | 27.4 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | 74.2 | 101.5 | 152.9 | 23.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 852 | T | 26.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | 69.9 | 122.2 | 124.5 | 52.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 853 | N | 27 | Very low | 27.5 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | 89.7 | 105.1 | 127.2 | -66.2 | 2.2 | 0 | 0 | 0 | 122.1 | |||||
| 854 | T | 27.2 | Very low | 27.5 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | 86 | 145.5 | 124.6 | 51.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 855 | T | 28.5 | Very low | 27.7 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | trans | 85.4 | 92.5 | 147.1 | 32 | 0 | 0 | 0 | 0 | 122 | ||||
| 856 | T | 26.8 | Very low | 27.7 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | 80.5 | 139.6 | 120.5 | 51 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 857 | N | 27.4 | Very low | 28 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 76.6 | 144 | 150.1 | -63.5 | -7.4 | 0 | 0 | 0 | 117.6 | ||||
| 858 | T | 30.2 | Very low | 28 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | cis | -161.5 | 155.9 | -2.8 | 8.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 859 | T | 27.7 | Very low | 28.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | 49.1 | 126.4 | 148.3 | 56.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 860 | N | 30.2 | Very low | 29 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | 138.8 | 146.8 | 130.8 | -79.3 | -36.3 | 0 | 0 | 0 | 110.7 | ||||
| 861 | N | 27.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | cis | 173.2 | 169.5 | -22.8 | -117.8 | -29.2 | 0 | 0 | 0 | 104.2 | ||||
| 862 | N | 30.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | 81.1 | 144.7 | 179 | -47 | -21.9 | 0 | 0 | 0 | 115.9 | ||||
| 863 | S | 28.1 | Very low | 29.7 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | cis | 162.8 | 119.2 | -46.2 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 864 | R | 28.3 | Very low | 30.1 | Very low | 245 Ų | 245 | 119.9 Ų | 119.9 | 93% | 0.925 | 70% | 0.696 | S | S | * | * | trans | 169.1 | 162 | 132 | -94.9 | 178 | 169 | 178.3 | -3.7 | 112.3 | ||||
| 865 | P | 28 | Very low | 30.2 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -116.3 | 170.8 | -156.9 | 42.6 | -34.2 | 0 | 0 | 0 | 115.6 | ||||
| 866 | V | 28.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | trans | -141.3 | 152.4 | 166.8 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 867 | S | 33.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | trans | 47.9 | 116.2 | 168 | 43.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 868 | A | 28.1 | Very low | 30.4 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -109.8 | 54.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 869 | L | 32.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 71% | 0.707 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -119.3 | -31.3 | 173.8 | -85 | 164.7 | 0 | 0 | 0 | 114.2 | E871 I872 | L869-E871 PolarHBondContact O-N 3.26Å; L869-I872 HydrophobicContact CD2-CD1 4.34Å |
| 870 | D | 37.7 | Very low | 30 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.1 | -15.5 | 176.3 | -75.1 | -31.6 | 0 | 0 | 0 | 114.3 | I872 S874 | D870-I872 PolarHBondContact O-N 3.25Å; D870-S874 PolarHBondContact O-OG 2.67Å |
| 871 | E | 32.4 | Very low | 29.8 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 48% | 0.481 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -73.5 | -9.1 | -176.5 | -140.7 | -160.5 | 145.8 | 0 | 0 | 113.9 | L869 S874 R875 | L869-E871 PolarHBondContact O-N 3.26Å; E871-S874 WeakPolarHBondContact CA-OG 3.42Å; E871-R875 WeakPolarHBondContact O-CB 3.33Å; E871-R875 WeakPolarHBondContact O-CD 3.13Å; E871-R875 VanDerWaalsContact O-CG 3.24Å; E871-R875 WeakPolarHBondContact O-CG 3.44Å; E871-R875 IonicContact OE1-CZ 3.56Å; E871-R875 IonicContact OE1-NE 2.67Å; E871-R875 PolarHBondContact OE1-NE 2.97Å; E871-R875 IonicContact OE1-NH2 2.76Å; E871-R875 PolarHBondContact OE1-NH2 3.21Å; E871-R875 IonicContact OE2-NH2 2.71Å |
| 872 | I | 30.1 | Very low | 29.8 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 32% | 0.323 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -90.2 | -45.9 | -175.2 | -61.9 | 147 | 0 | 0 | 0 | 110.7 | F551 L869 D870 S874 | F551-I872 HydrophobicContact CD1-CD1 4.41Å; F551-I872 HydrophobicContact CD2-CD1 4.23Å; F551-I872 HydrophobicContact CD2-CG1 4.27Å; F551-I872 HydrophobicContact CD2-CG2 4.39Å; F551-I872 HydrophobicContact CE1-CD1 3.75Å; F551-I872 HydrophobicContact CE2-CD1 3.52Å; F551-I872 HydrophobicContact CE2-CG1 3.81Å; F551-I872 HydrophobicContact CZ-CD1 3.26Å; F551-I872 HydrophobicContact CZ-CG1 4.1Å; L869-I872 HydrophobicContact CD2-CD1 4.34Å; D870-I872 PolarHBondContact O-N 3.25Å; I872-S874 VanDerWaalsContact C-N 3.32Å; I872-S874 PolarHBondContact O-N 3.45Å |
| 873 | A | 32.6 | Very low | 29.5 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.2 | -31.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 874 | S | 35.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 129 Ų | 129 | 51% | 0.51 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -82.4 | -14.8 | -177.1 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | D870 E871 I872 W876 | D870-S874 PolarHBondContact O-OG 2.67Å; E871-S874 WeakPolarHBondContact CA-OG 3.42Å; I872-S874 VanDerWaalsContact C-N 3.32Å; I872-S874 PolarHBondContact O-N 3.45Å; S874-W876 PolarHBondContact O-N 3.45Å |
| 875 | R | 29.7 | Very low | 29.3 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -77.4 | -9.6 | -173.6 | -99.1 | 178.8 | -178.3 | -166.4 | 3 | 116.1 | E871 | E871-R875 WeakPolarHBondContact O-CB 3.33Å; E871-R875 WeakPolarHBondContact O-CD 3.13Å; E871-R875 VanDerWaalsContact O-CG 3.24Å; E871-R875 WeakPolarHBondContact O-CG 3.44Å; E871-R875 IonicContact OE1-CZ 3.56Å; E871-R875 IonicContact OE1-NE 2.67Å; E871-R875 PolarHBondContact OE1-NE 2.97Å; E871-R875 IonicContact OE1-NH2 2.76Å; E871-R875 PolarHBondContact OE1-NH2 3.21Å; E871-R875 IonicContact OE2-NH2 2.71Å |
| 876 | W | 30.3 | Very low | 29.2 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -89.4 | -14.9 | -175.1 | -90.2 | 37.2 | 0 | 0 | 0 | 115.9 | D543 S547 S874 | D543-W876 HydrophobicContact CB-CH2 4.3Å; D543-W876 HydrophobicContact CB-CZ3 4.34Å; S547-W876 WeakPolarHBondContact OG-CH2 3.41Å; S547-W876 WeakPolarHBondContact OG-CZ2 3.2Å; S874-W876 PolarHBondContact O-N 3.45Å |
| 877 | D | 31.9 | Very low | 29.2 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -93.7 | 8 | -178.1 | -138.7 | 11.1 | 0 | 0 | 0 | 113.4 | K583 S879 | K583-D877 IonicContact NZ-OD1 3.21Å; K583-D877 PolarHBondContact NZ-OD1 2.99Å; K583-D877 IonicContact NZ-OD2 3.92Å; K583-D877 PolarHBondContact NZ-OD2 3.35Å; D877-S879 PolarHBondContact O-N 3.49Å |
| 878 | S | 26 | Very low | 28.8 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 53.8 | -174.6 | -74.1 | 0 | 0 | 0 | 0 | 114.7 | Q1238 | S878-Q1238 PolarHBondContact O-NE2 3.06Š|
| 879 | S | 23.1 | Very low | 28.7 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 52% | 0.517 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.8 | 11.4 | 174 | -159.6 | 0 | 0 | 0 | 0 | 116.9 | D877 Q1238 | D877-S879 PolarHBondContact O-N 3.49Å; S879-Q1238 PolarHBondContact OG-NE2 2.88Å |
| 880 | S | 25.5 | Very low | 28.3 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -155.3 | 65.9 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 881 | N | 26 | Very low | 27.7 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 90% | 0.898 | 69% | 0.693 | S | S | * | * | trans | -172.7 | 116.4 | 147.4 | -101.5 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 882 | K | 26.9 | Very low | 27.4 | Very low | 204 Ų | 204 | 123.6 Ų | 123.6 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | trans | -148.1 | 86.8 | 166.2 | -91.3 | -169 | 176.5 | 177.7 | 0 | 110.6 | ||||
| 883 | Q | 24.8 | Very low | 27.2 | Very low | 189 Ų | 189 | 123.7 Ų | 123.7 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | 168.3 | 94.5 | 142.4 | -96.6 | 171.9 | -15.5 | 0 | 0 | 110.5 | ||||
| 884 | S | 24.7 | Very low | 27 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | trans | -145.1 | 81.7 | 164.3 | -78.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 885 | T | 28 | Very low | 26.5 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -96.5 | 131 | 169.7 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 886 | S | 25.5 | Very low | 26.4 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -70.3 | 154 | -177.5 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 887 | N | 28 | Very low | 26.3 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | 175.6 | 112.6 | 127.1 | -83.2 | -9.5 | 0 | 0 | 0 | 108.3 | |||||
| 888 | I | 25.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | 93.8 | 87.2 | 79.1 | -77.7 | 173.6 | 0 | 0 | 0 | 112.9 | |||||
| 889 | T | 25.4 | Very low | 26.2 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | trans | 89.9 | 139.3 | 130.3 | -36.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 890 | T | 24.9 | Very low | 26.6 | Very low | 112 Ų | 112 | 120 Ų | 120 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | 84.9 | 114.1 | 148.9 | 18.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 891 | T | 25.4 | Very low | 26.8 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | trans | 51.3 | 135.3 | 131.1 | 52.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 892 | T | 24.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 56% | 0.558 | 69% | 0.687 | S | S | * | * | cis | -167.7 | 148.1 | -1.8 | 6.8 | 0 | 0 | 0 | 0 | 111.3 | G191 C192 | G191-T892 CarbonylContact O-C 2.73Å; G191-T892 WeakPolarHBondContact O-CB 3.39Å; G191-T892 VanDerWaalsContact O-O 3.11Å; C192-T892 VanDerWaalsContact CA-O 3.29Å; C192-T892 WeakPolarHBondContact CA-O 3.5Å; C192-T892 PolarHBondContact SG-O 3.33Å | ||
| 893 | T | 26.8 | Very low | 27.2 | Very low | 65 Ų | 65 | 115.5 Ų | 115.5 | 40% | 0.399 | 67% | 0.673 | S | S | . | * | trans | 29.7 | 121 | 146.6 | 30.4 | 0 | 0 | 0 | 0 | 127.4 | L189 G191 C192 | L189-T893 HydrophobicContact CD2-CG2 4.33Å; G191-T893 CarbonylContact C-O 3.51Å; G191-T893 WeakPolarHBondContact CA-O 3.34Å; G191-T893 PolarHBondContact N-O 3.07Å; G191-T893 PolarHBondContact O-OG1 3.15Å; C192-T893 WeakPolarHBondContact CA-O 3.5Å; C192-T893 VanDerWaalsContact CB-C 3.41Å; C192-T893 WeakPolarHBondContact CB-O 3.33Å; C192-T893 PolarHBondContact N-O 3.49Å; C192-T893 PolarHBondContact SG-O 3.17Å; C192-T893 VanDerWaalsContact SG-O 3.41Å | ||
| 894 | T | 26.9 | Very low | 27.5 | Very low | 51 Ų | 51 | 112.3 Ų | 112.3 | 31% | 0.313 | 66% | 0.662 | S | S | . | * | 87.4 | -180 | 129.1 | 74.3 | 0 | 0 | 0 | 0 | 126.3 | L189 I190 G191 C192 | L189-T894 HydrophobicContact CB-CG2 3.38Å; L189-T894 HydrophobicContact CD2-CG2 3.41Å; L189-T894 VanDerWaalsContact CD2-CG2 3.41Å; L189-T894 HydrophobicContact CG-CG2 3.94Å; I190-T894 WeakPolarHBondContact CA-OG1 3.28Å; G191-T894 PolarHBondContact N-OG1 3.25Å; C192-T894 WeakPolarHBondContact CB-O 3.49Å | |||
| 895 | T | 26.8 | Very low | 27.9 | Very low | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.411 | 65% | 0.649 | S | S | . | * | cis | -160.6 | 161.5 | 2.2 | -2.9 | 0 | 0 | 0 | 0 | 117.6 | L189 I190 | L189-T895 HydrophobicContact CB-CG2 3.95Å; L189-T895 WeakPolarHBondContact O-CG2 3.47Å; I190-T895 HydrophobicContact CG1-CG2 3.89Å | ||
| 896 | I | 27.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | trans | 68.3 | 135.3 | 143 | -81.6 | 162.4 | 0 | 0 | 0 | 121.9 | I190 | I190-I896 HydrophobicContact CD1-CD1 4.07Å; I190-I896 HydrophobicContact CG1-CD1 4.36Å | ||
| 897 | T | 28.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 112 Ų | 112 | 69% | 0.693 | 65% | 0.645 | S | S | * | * | cis | -140.5 | -101.6 | -32 | 24.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 898 | T | 27.5 | Very low | 27.8 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | cis | -162 | 113.1 | -8.5 | -37.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 899 | T | 28.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | trans | 64.6 | 162 | 156.1 | 47.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 900 | T | 29.4 | Very low | 27.9 | Very low | 135 Ų | 135 | 110.5 Ų | 110.5 | 83% | 0.828 | 64% | 0.638 | S | S | * | * | cis | -123.2 | -133.6 | 27.9 | 62.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 901 | N | 30.6 | Very low | 28 | Very low | 137 Ų | 137 | 111.4 Ų | 111.4 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | trans | -167.2 | 178 | -142.2 | -169.4 | 33.7 | 0 | 0 | 0 | 113.4 | ||||
| 902 | N | 31.4 | Very low | 28 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | trans | 132.8 | 117.2 | 142.6 | -78.6 | 10 | 0 | 0 | 0 | 119.7 | ||||
| 903 | N | 31 | Very low | 28 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | 86.2 | 134.9 | 128.1 | -62.9 | 7.9 | 0 | 0 | 0 | 120.9 | |||||
| 904 | N | 31 | Very low | 27.9 | Very low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 66% | 0.658 | S | S | * | * | cis | -176.9 | 164.5 | 11.5 | -109.9 | -1.9 | 0 | 0 | 0 | 113.7 | ||||
| 905 | N | 31.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | trans | 71.7 | 114.6 | 151.6 | -61.3 | -7.3 | 0 | 0 | 0 | 120 | ||||
| 906 | N | 28.2 | Very low | 27.9 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | 91.7 | 142.2 | 79.4 | -68.6 | -12.9 | 0 | 0 | 0 | 112.4 | |||||
| 907 | S | 27.1 | Very low | 27.9 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | cis | -168.5 | -162 | -8.5 | 48 | 0 | 0 | 0 | 0 | 107 | ||||
| 908 | I | 25.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | cis | -165.3 | 154.6 | 7.9 | -155.3 | 167.9 | 0 | 0 | 0 | 110.4 | ||||
| 909 | I | 26 | Very low | 27.9 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | trans | 47.6 | 161.6 | 150.7 | -76.7 | 165.4 | 0 | 0 | 0 | 122 | ||||
| 910 | S | 26.2 | Very low | 28 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | -173.1 | 174.7 | -75 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 911 | D | 26.3 | Very low | 27.9 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | trans | 67.5 | 149.3 | 155.3 | -67.9 | -62.8 | 0 | 0 | 0 | 120.8 | ||||
| 912 | N | 26 | Very low | 27.9 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | cis | -157.3 | 173.2 | -31.4 | -145.3 | -42.9 | 0 | 0 | 0 | 110.4 | ||||
| 913 | Q | 24.6 | Very low | 27.9 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 71% | 0.71 | 63% | 0.627 | S | S | * | * | trans | 16 | 112.8 | 156 | -78.8 | 157.6 | 59.2 | 0 | 0 | 119.3 | ||||
| 914 | N | 24.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 82% | 0.824 | 63% | 0.625 | S | S | * | * | -165.7 | -178.7 | 106.7 | -118.4 | -60.3 | 0 | 0 | 0 | 114.2 | |||||
| 915 | S | 27.5 | Very low | 28.1 | Very low | 49 Ų | 49 | 117.5 Ų | 117.5 | 34% | 0.343 | 62% | 0.616 | S | S | . | * | trans | 72.6 | 72.8 | 159.4 | 71.2 | 0 | 0 | 0 | 0 | 117.9 | S917 S918 | S915-S917 PolarHBondContact O-N 3.39Å; S915-S918 WeakPolarHBondContact O-CB 3.19Å; S915-S918 PolarHBondContact O-N 3.18Å; S915-S918 PolarHBondContact O-OG 2.96Å; S915-S918 WeakPolarHBondContact OG-CB 3.32Å; S915-S918 PolarHBondContact OG-OG 3.3Å | ||
| 916 | R | 26.4 | Very low | 28.1 | Very low | 252 Ų | 252 | 118 Ų | 118 | 95% | 0.951 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -14.3 | 153.9 | -153.8 | 170.2 | -172.3 | 164.3 | 1 | 112.2 | ||
| 917 | S | 27.8 | Very low | 28.2 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -12.5 | 165.4 | 48 | 0 | 0 | 0 | 0 | 114.9 | S915 L919 | S915-S917 PolarHBondContact O-N 3.39Å; S917-L919 VanDerWaalsContact C-N 3.31Å; S917-L919 PolarHBondContact O-N 3.21Å |
| 918 | S | 27.5 | Very low | 28.5 | Very low | 11 Ų | 11 | 119.5 Ų | 119.5 | 8% | 0.077 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -77.3 | -7.4 | -175.8 | 64.8 | 0 | 0 | 0 | 0 | 115.3 | S915 S921 K922 | S915-S918 WeakPolarHBondContact O-CB 3.19Å; S915-S918 PolarHBondContact O-N 3.18Å; S915-S918 PolarHBondContact O-OG 2.96Å; S915-S918 WeakPolarHBondContact OG-CB 3.32Å; S915-S918 PolarHBondContact OG-OG 3.3Å; S918-S921 WeakPolarHBondContact CA-OG 3.4Å; S918-S921 PolarHBondContact O-N 2.86Å; S918-S921 PolarHBondContact O-OG 3.28Å; S918-K922 WeakPolarHBondContact O-CB 3.48Å; S918-K922 WeakPolarHBondContact O-CD 3.46Å; S918-K922 WeakPolarHBondContact O-CG 3.42Å; S918-K922 PolarHBondContact O-N 3.39Å; S918-K922 PolarHBondContact OG-NZ 2.89Å |
| 919 | L | 28.4 | Very low | 28.9 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75 | -29.1 | 178.7 | -73.6 | 171.4 | 0 | 0 | 0 | 112.8 | S917 L923 | S917-L919 VanDerWaalsContact C-N 3.31Å; S917-L919 PolarHBondContact O-N 3.21Å; L919-L923 PolarHBondContact O-N 3.36Å |
| 920 | Q | 30 | Very low | 29.1 | Very low | 168 Ų | 168 | 115.7 Ų | 115.7 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.4 | -41.2 | 168.7 | -75.4 | 175.7 | -47.9 | 0 | 0 | 111.6 | L923 H924 | Q920-L923 PolarHBondContact O-N 2.82Å; Q920-H924 WeakPolarHBondContact O-CB 3.11Å; Q920-H924 PolarHBondContact O-N 2.84Å; Q920-H924 VanDerWaalsContact O-N 3.07Å |
| 921 | S | 28.9 | Very low | 29.3 | Very low | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.2 | -26.5 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | S918 H924 N925 | S918-S921 WeakPolarHBondContact CA-OG 3.4Å; S918-S921 PolarHBondContact O-N 2.86Å; S918-S921 PolarHBondContact O-OG 3.28Å; S921-H924 CarbonylContact O-C 3.56Å; S921-H924 PolarHBondContact O-N 2.76Å; S921-N925 VanDerWaalsContact O-CB 3.24Å; S921-N925 WeakPolarHBondContact O-CB 3.44Å; S921-N925 PolarHBondContact O-N 3.37Å |
| 922 | K | 30.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 119 Ų | 119 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.4 | -37 | 171.4 | -77.5 | 164.2 | 179.5 | 154.2 | 0 | 112 | S918 H924 N925 L926 | S918-K922 WeakPolarHBondContact O-CB 3.48Å; S918-K922 WeakPolarHBondContact O-CD 3.46Å; S918-K922 WeakPolarHBondContact O-CG 3.42Å; S918-K922 PolarHBondContact O-N 3.39Å; S918-K922 PolarHBondContact OG-NZ 2.89Å; K922-H924 VanDerWaalsContact C-N 3.32Å; K922-N925 PolarHBondContact O-N 2.87Å; K922-L926 WeakPolarHBondContact O-CB 3.49Å; K922-L926 VanDerWaalsContact O-CG 3.26Å; K922-L926 WeakPolarHBondContact O-CG 3.44Å; K922-L926 PolarHBondContact O-N 3.48Å |
| 923 | L | 30.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -41.1 | 171.9 | -145.4 | 163.9 | 0 | 0 | 0 | 110.3 | L919 Q920 N925 L927 | L919-L923 PolarHBondContact O-N 3.36Å; Q920-L923 PolarHBondContact O-N 2.82Å; L923-N925 PolarHBondContact O-N 2.78Å; L923-L927 HydrophobicContact CD2-CD1 4.32Å; L923-L927 PolarHBondContact O-N 3.01Å |
| 924 | H | 31.1 | Very low | 30 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 56% | 0.56 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.3 | -25 | 174.4 | -162 | -62.4 | 0 | 0 | 0 | 114.2 | Q920 S921 K922 | Q920-H924 WeakPolarHBondContact O-CB 3.11Å; Q920-H924 PolarHBondContact O-N 2.84Å; Q920-H924 VanDerWaalsContact O-N 3.07Å; S921-H924 CarbonylContact O-C 3.56Å; S921-H924 PolarHBondContact O-N 2.76Å; K922-H924 VanDerWaalsContact C-N 3.32Å |
| 925 | N | 35.1 | Very low | 30.3 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -89.3 | -31.1 | 176.9 | -76.1 | -7.1 | 0 | 0 | 0 | 112.8 | S921 K922 L923 L927 K928 T929 | S921-N925 VanDerWaalsContact O-CB 3.24Å; S921-N925 WeakPolarHBondContact O-CB 3.44Å; S921-N925 PolarHBondContact O-N 3.37Å; K922-N925 PolarHBondContact O-N 2.87Å; L923-N925 PolarHBondContact O-N 2.78Å; N925-L927 PolarHBondContact O-N 3.42Å; N925-K928 WeakPolarHBondContact O-CA 3.27Å; N925-K928 WeakPolarHBondContact O-CB 3.32Å; N925-K928 PolarHBondContact O-N 3.34Å; N925-T929 PolarHBondContact O-N 3.45Å; N925-T929 VanDerWaalsContact O-N 3.11Å; N925-T929 PolarHBondContact O-OG1 2.65Å |
| 926 | L | 31.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63 | -29.4 | 169.6 | -75.1 | 166.8 | 0 | 0 | 0 | 111.6 | K922 K928 T929 | K922-L926 WeakPolarHBondContact O-CB 3.49Å; K922-L926 VanDerWaalsContact O-CG 3.26Å; K922-L926 WeakPolarHBondContact O-CG 3.44Å; K922-L926 PolarHBondContact O-N 3.48Å; L926-K928 VanDerWaalsContact C-N 3.27Å; L926-K928 PolarHBondContact O-N 3.04Å; L926-T929 PolarHBondContact O-OG1 3.07Å |
| 927 | L | 31.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -6.2 | 168.3 | -84.7 | 162.8 | 0 | 0 | 0 | 114.6 | L923 N925 | L923-L927 HydrophobicContact CD2-CD1 4.32Å; L923-L927 PolarHBondContact O-N 3.01Å; N925-L927 PolarHBondContact O-N 3.42Å |
| 928 | K | 32.5 | Very low | 30 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 64% | 0.639 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -17.9 | 175.3 | -81.8 | -169.1 | 167.4 | -168.8 | 0 | 114.3 | N925 L926 S930 | N925-K928 WeakPolarHBondContact O-CA 3.27Å; N925-K928 WeakPolarHBondContact O-CB 3.32Å; N925-K928 PolarHBondContact O-N 3.34Å; L926-K928 VanDerWaalsContact C-N 3.27Å; L926-K928 PolarHBondContact O-N 3.04Å; K928-S930 VanDerWaalsContact C-N 3.3Å; K928-S930 PolarHBondContact O-N 3.39Å |
| 929 | T | 33.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 14.4 | -174.3 | 45.6 | 0 | 0 | 0 | 0 | 115 | N925 L926 | N925-T929 PolarHBondContact O-N 3.45Å; N925-T929 VanDerWaalsContact O-N 3.11Å; N925-T929 PolarHBondContact O-OG1 2.65Å; L926-T929 PolarHBondContact O-OG1 3.07Å |
| 930 | S | 30.7 | Very low | 29.8 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 2.8 | -178.1 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | K928 | K928-S930 VanDerWaalsContact C-N 3.3Å; K928-S930 PolarHBondContact O-N 3.39Å |
| 931 | I | 31.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 57% | 0.574 | 68% | 0.681 | S | S | * | * | trans | -129.3 | 101.5 | -179.7 | -57.8 | 178.5 | 0 | 0 | 0 | 109.2 | I933 | I931-I933 HydrophobicContact CG2-CD1 3.88Å; I931-I933 HydrophobicContact CG2-CG1 3.94Å | ||
| 932 | N | 31.4 | Very low | 29.7 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | trans | -89 | 115.2 | 166 | -84.2 | -15.6 | 0 | 0 | 0 | 109.1 | ||||
| 933 | I | 31.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -127.5 | 131.1 | 164.9 | -65.1 | 173.3 | 0 | 0 | 0 | 106.3 | I931 | I931-I933 HydrophobicContact CG2-CD1 3.88Å; I931-I933 HydrophobicContact CG2-CG1 3.94Å | ||
| 934 | P | 29.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | trans | -89.4 | 128.4 | -174.2 | 33.5 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 935 | E | 29.2 | Very low | 30.2 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -136.2 | 121.6 | 168.6 | -71.4 | -171.8 | 142.3 | 0 | 0 | 111.2 | ||||
| 936 | E | 26.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -86.7 | 174.5 | 152.7 | -67 | -170.9 | 113.8 | 0 | 0 | 109.5 | ||||
| 937 | Q | 26.1 | Very low | 31.1 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | trans | 70.7 | 76.6 | 167.8 | -52.4 | -167.9 | 14.1 | 0 | 0 | 117.8 | ||||
| 938 | S | 23.8 | Very low | 31.5 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | 45.7 | 121.1 | 123.6 | 63.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 939 | N | 25.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 76.6 | 124.4 | 141.5 | -62.4 | -25.1 | 0 | 0 | 0 | 120.8 | ||||
| 940 | S | 25.9 | Very low | 33.1 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | 82.2 | 172.3 | 151.4 | -156.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 941 | Y | 27.7 | Very low | 33.7 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | 74.3 | 102.3 | 176 | -58.3 | -76.4 | 0 | 0 | 0 | 117.9 | ||||
| 942 | K | 29.3 | Very low | 34.5 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | trans | -59.4 | 129.9 | 161.7 | -58.7 | 168 | 176.7 | 175.5 | 0 | 109.6 | ||||
| 943 | I | 31.7 | Very low | 35.8 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | trans | -133.9 | 103.3 | 166.8 | -57.1 | -176.5 | 0 | 0 | 0 | 111.1 | ||||
| 944 | N | 30.7 | Very low | 37.4 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 68% | 0.676 | S | S | * | * | trans | 29.5 | 134.4 | 148.7 | -56.4 | -2.8 | 0 | 0 | 0 | 121.8 | E946 | N944-E946 PolarHBondContact O-N 3.22Š| ||
| 945 | H | 39.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 132 Ų | 132 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -30.9 | -175.3 | -115 | -95.6 | 0 | 0 | 0 | 115.8 | N947 I948 | H945-N947 VanDerWaalsContact C-N 3.33Å; H945-N947 PolarHBondContact O-N 3.01Å; H945-I948 WeakPolarHBondContact O-CB 3.25Å; H945-I948 PolarHBondContact O-N 3.12Å; H945-I948 VanDerWaalsContact O-N 3.14Å |
| 946 | E | 41.1 | Very low | 39.1 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.8 | -30.7 | -165.7 | -65.4 | 174 | 113.6 | 0 | 0 | 114.4 | N944 I948 D949 L950 | N944-E946 PolarHBondContact O-N 3.22Å; E946-I948 PolarHBondContact O-N 2.71Å; E946-D949 PolarHBondContact O-N 3.23Å; E946-L950 PolarHBondContact O-N 2.9Å |
| 947 | N | 43.6 | Very low | 41 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.8 | -21.4 | 179.2 | -75.7 | -23.7 | 0 | 0 | 0 | 113 | H945 L951 | H945-N947 VanDerWaalsContact C-N 3.33Å; H945-N947 PolarHBondContact O-N 3.01Å; N947-L951 PolarHBondContact O-N 3.01Å |
| 948 | I | 41 | Very low | 42.6 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.2 | -42.4 | 178.9 | -62 | 176.4 | 0 | 0 | 0 | 110.1 | H945 E946 L950 L951 I952 | H945-I948 WeakPolarHBondContact O-CB 3.25Å; H945-I948 PolarHBondContact O-N 3.12Å; H945-I948 VanDerWaalsContact O-N 3.14Å; E946-I948 PolarHBondContact O-N 2.71Å; I948-L950 VanDerWaalsContact C-N 3.34Å; I948-L950 PolarHBondContact O-N 2.96Å; I948-L951 PolarHBondContact O-N 3.31Å; I948-I952 HydrophobicContact CG2-CD1 3.74Å; I948-I952 HydrophobicContact CG2-CG1 4.37Å; I948-I952 WeakPolarHBondContact O-CG1 3.26Å; I948-I952 PolarHBondContact O-N 2.97Å |
| 949 | D | 45.4 | Very low | 44.2 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 48% | 0.481 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.1 | -32.3 | 179.9 | -69.2 | -41.6 | 0 | 0 | 0 | 112.5 | E946 N953 | E946-D949 PolarHBondContact O-N 3.23Å; D949-N953 WeakPolarHBondContact O-CB 3.4Å; D949-N953 PolarHBondContact O-N 3.3Å; D949-N953 PolarHBondContact O-ND2 3.31Å |
| 950 | L | 53.2 | Low | 46.1 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 170.7 | -92.1 | 165 | 0 | 0 | 0 | 112.4 | E946 I948 N953 N954 | E946-L950 PolarHBondContact O-N 2.9Å; I948-L950 VanDerWaalsContact C-N 3.34Å; I948-L950 PolarHBondContact O-N 2.96Å; L950-N953 PolarHBondContact O-N 3.08Å; L950-N954 PolarHBondContact O-N 3.4Å; L950-N954 VanDerWaalsContact O-N 3.13Å |
| 951 | L | 44.8 | Very low | 48.2 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -41.9 | 178.6 | -159.8 | 74 | 0 | 0 | 0 | 111.7 | N947 I948 N954 Q955 | N947-L951 PolarHBondContact O-N 3.01Å; I948-L951 PolarHBondContact O-N 3.31Å; L951-N954 PolarHBondContact O-N 3.14Å; L951-Q955 WeakPolarHBondContact O-CG 3.44Å; L951-Q955 PolarHBondContact O-N 3.01Å |
| 952 | I | 47.5 | Very low | 49.7 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 175.6 | -69.1 | 171.4 | 0 | 0 | 0 | 111 | I948 N954 Q955 S956 | I948-I952 HydrophobicContact CG2-CD1 3.74Å; I948-I952 HydrophobicContact CG2-CG1 4.37Å; I948-I952 WeakPolarHBondContact O-CG1 3.26Å; I948-I952 PolarHBondContact O-N 2.97Å; I952-N954 VanDerWaalsContact C-N 3.34Å; I952-N954 PolarHBondContact O-N 3.4Å; I952-Q955 PolarHBondContact O-N 2.98Å; I952-S956 VanDerWaalsContact O-CB 3.28Å; I952-S956 WeakPolarHBondContact O-CB 3.48Å; I952-S956 PolarHBondContact O-N 2.94Å |
| 953 | N | 59.3 | Low | 51.3 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 176.3 | -88.5 | -70.3 | 0 | 0 | 0 | 112.8 | D949 L950 K957 | D949-N953 WeakPolarHBondContact O-CB 3.4Å; D949-N953 PolarHBondContact O-N 3.3Å; D949-N953 PolarHBondContact O-ND2 3.31Å; L950-N953 PolarHBondContact O-N 3.08Å; N953-K957 WeakPolarHBondContact O-CG 3.4Å; N953-K957 PolarHBondContact O-N 3.12Å |
| 954 | N | 63.6 | Low | 53.1 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.2 | -39.1 | 177.7 | -74.3 | -22.4 | 0 | 0 | 0 | 112.6 | L950 L951 I952 K957 L958 | L950-N954 PolarHBondContact O-N 3.4Å; L950-N954 VanDerWaalsContact O-N 3.13Å; L951-N954 PolarHBondContact O-N 3.14Å; I952-N954 VanDerWaalsContact C-N 3.34Å; I952-N954 PolarHBondContact O-N 3.4Å; N954-K957 PolarHBondContact O-N 3.09Å; N954-L958 PolarHBondContact O-N 3.03Å |
| 955 | Q | 44.4 | Very low | 54.8 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 169.4 | -77.6 | -82.2 | -32.6 | 0 | 0 | 111.4 | L951 I952 K957 L958 I959 | L951-Q955 WeakPolarHBondContact O-CG 3.44Å; L951-Q955 PolarHBondContact O-N 3.01Å; I952-Q955 PolarHBondContact O-N 2.98Å; Q955-K957 PolarHBondContact O-N 3.25Å; Q955-L958 PolarHBondContact O-N 3.01Å; Q955-I959 WeakPolarHBondContact O-CG1 3.23Å; Q955-I959 PolarHBondContact O-N 2.8Å |
| 956 | S | 50.7 | Low | 55.6 | Low | 53 Ų | 53 | 103.2 Ų | 103.2 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | I952 L958 I959 N960 | I952-S956 VanDerWaalsContact O-CB 3.28Å; I952-S956 WeakPolarHBondContact O-CB 3.48Å; I952-S956 PolarHBondContact O-N 2.94Å; S956-L958 PolarHBondContact O-N 3.02Å; S956-I959 PolarHBondContact O-N 3.05Å; S956-N960 WeakPolarHBondContact O-CB 3.44Å; S956-N960 PolarHBondContact O-N 3.46Å; S956-N960 PolarHBondContact O-ND2 3.45Å; S956-N960 PolarHBondContact OG-ND2 3.33Å |
| 957 | K | 66.4 | Low | 56.8 | Low | 143 Ų | 143 | 101.2 Ų | 101.2 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 176.1 | -76.8 | 174.3 | -179.9 | 176.1 | 0 | 112.6 | N953 N954 Q955 N960 H961 | N953-K957 WeakPolarHBondContact O-CG 3.4Å; N953-K957 PolarHBondContact O-N 3.12Å; N954-K957 PolarHBondContact O-N 3.09Å; Q955-K957 PolarHBondContact O-N 3.25Å; K957-N960 PolarHBondContact O-N 3.32Å; K957-H961 WeakPolarHBondContact O-CB 3.13Å; K957-H961 PolarHBondContact O-N 2.97Å |
| 958 | L | 60.5 | Low | 58 | Low | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | -179.7 | -167.2 | 69.8 | 0 | 0 | 0 | 112.1 | N954 Q955 S956 H961 N962 | N954-L958 PolarHBondContact O-N 3.03Å; Q955-L958 PolarHBondContact O-N 3.01Å; S956-L958 PolarHBondContact O-N 3.02Å; L958-H961 PolarHBondContact O-N 3.21Å; L958-N962 PolarHBondContact O-N 3.13Å |
| 959 | I | 56.1 | Low | 59.4 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.4 | -67.8 | 166.6 | 0 | 0 | 0 | 110.7 | Q955 S956 H961 N962 F963 | Q955-I959 WeakPolarHBondContact O-CG1 3.23Å; Q955-I959 PolarHBondContact O-N 2.8Å; S956-I959 PolarHBondContact O-N 3.05Å; I959-H961 VanDerWaalsContact C-N 3.35Å; I959-H961 PolarHBondContact O-N 2.86Å; I959-N962 PolarHBondContact O-N 3.24Å; I959-F963 WeakPolarHBondContact O-CB 3.48Å; I959-F963 PolarHBondContact O-N 2.98Å |
| 960 | N | 65.3 | Low | 60.1 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 176.9 | -76.2 | -62.9 | 0 | 0 | 0 | 112.6 | S956 K957 F963 N964 | S956-N960 WeakPolarHBondContact O-CB 3.44Å; S956-N960 PolarHBondContact O-N 3.46Å; S956-N960 PolarHBondContact O-ND2 3.45Å; S956-N960 PolarHBondContact OG-ND2 3.33Å; K957-N960 PolarHBondContact O-N 3.32Å; N960-F963 PolarHBondContact O-N 2.71Å; N960-N964 WeakPolarHBondContact O-CB 3.33Å; N960-N964 VanDerWaalsContact O-CG 3.28Å; N960-N964 PolarHBondContact O-N 3.07Å |
| 961 | H | 69.4 | Low | 60.9 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.5 | -171.6 | 72.3 | 0 | 0 | 0 | 111.6 | K957 L958 I959 F963 N964 Q965 | K957-H961 WeakPolarHBondContact O-CB 3.13Å; K957-H961 PolarHBondContact O-N 2.97Å; L958-H961 PolarHBondContact O-N 3.21Å; I959-H961 VanDerWaalsContact C-N 3.35Å; I959-H961 PolarHBondContact O-N 2.86Å; H961-F963 VanDerWaalsContact C-N 3.33Å; H961-F963 PolarHBondContact O-N 3.29Å; H961-N964 PolarHBondContact O-N 3.23Å; H961-Q965 PolarHBondContact NE2-NE2 3.45Å; H961-Q965 VanDerWaalsContact O-CG 3.31Å; H961-Q965 WeakPolarHBondContact O-CG 3.33Å; H961-Q965 PolarHBondContact O-N 2.87Å |
| 962 | N | 60.3 | Low | 62.2 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 177.3 | -70.7 | -13.3 | 0 | 0 | 0 | 112.5 | L958 I959 Q965 L966 | L958-N962 PolarHBondContact O-N 3.13Å; I959-N962 PolarHBondContact O-N 3.24Å; N962-Q965 PolarHBondContact O-N 3.4Å; N962-L966 PolarHBondContact O-N 2.99Å |
| 963 | F | 63.6 | Low | 63.3 | Low | 128 Ų | 128 | 96.5 Ų | 96.5 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 174.7 | -170.1 | -90.4 | 0 | 0 | 0 | 111.7 | I959 N960 H961 Q965 L966 Q967 | I959-F963 WeakPolarHBondContact O-CB 3.48Å; I959-F963 PolarHBondContact O-N 2.98Å; N960-F963 PolarHBondContact O-N 2.71Å; H961-F963 VanDerWaalsContact C-N 3.33Å; H961-F963 PolarHBondContact O-N 3.29Å; F963-Q965 PolarHBondContact O-N 2.76Å; F963-L966 PolarHBondContact O-N 3.43Å; F963-Q967 WeakPolarHBondContact O-CB 3.49Å; F963-Q967 PolarHBondContact O-N 3.39Å |
| 964 | N | 67.8 | Low | 63.8 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 176.5 | -72.3 | -12.4 | 0 | 0 | 0 | 112.3 | N960 H961 Q967 L968 | N960-N964 WeakPolarHBondContact O-CB 3.33Å; N960-N964 VanDerWaalsContact O-CG 3.28Å; N960-N964 PolarHBondContact O-N 3.07Å; H961-N964 PolarHBondContact O-N 3.23Å; N964-Q967 PolarHBondContact O-N 2.98Å; N964-L968 WeakPolarHBondContact O-CG 3.33Å; N964-L968 PolarHBondContact O-N 2.99Å |
| 965 | Q | 66.5 | Low | 64.3 | Low | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.3 | -69.1 | -76.3 | 20 | 0 | 0 | 111.8 | H961 N962 F963 Q967 L968 S969 | H961-Q965 PolarHBondContact NE2-NE2 3.45Å; H961-Q965 VanDerWaalsContact O-CG 3.31Å; H961-Q965 WeakPolarHBondContact O-CG 3.33Å; H961-Q965 PolarHBondContact O-N 2.87Å; N962-Q965 PolarHBondContact O-N 3.4Å; F963-Q965 PolarHBondContact O-N 2.76Å; Q965-Q967 VanDerWaalsContact C-N 3.34Å; Q965-Q967 PolarHBondContact O-N 3.45Å; Q965-L968 PolarHBondContact O-N 3.48Å; Q965-S969 PolarHBondContact O-N 2.93Å; Q965-S969 PolarHBondContact O-OG 3.08Å |
| 966 | L | 56.7 | Low | 65.5 | Low | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 174.6 | -81.5 | 164.4 | 0 | 0 | 0 | 112.7 | N962 F963 S969 N970 | N962-L966 PolarHBondContact O-N 2.99Å; F963-L966 PolarHBondContact O-N 3.43Å; L966-S969 WeakPolarHBondContact CA-OG 3.45Å; L966-S969 PolarHBondContact O-N 3.11Å; L966-S969 PolarHBondContact O-OG 2.97Å; L966-N970 WeakPolarHBondContact O-CB 3.44Å; L966-N970 PolarHBondContact O-N 3.41Å; L966-N970 PolarHBondContact O-ND2 3.11Å; L966-N970 VanDerWaalsContact O-ND2 3.16Å |
| 967 | Q | 65.9 | Low | 66.5 | Low | 105 Ų | 105 | 103.2 Ų | 103.2 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.7 | -172 | 169.7 | -15.3 | 0 | 0 | 111.3 | F963 N964 Q965 N970 Q971 | F963-Q967 WeakPolarHBondContact O-CB 3.49Å; F963-Q967 PolarHBondContact O-N 3.39Å; N964-Q967 PolarHBondContact O-N 2.98Å; Q965-Q967 VanDerWaalsContact C-N 3.34Å; Q965-Q967 PolarHBondContact O-N 3.45Å; Q967-N970 PolarHBondContact O-N 3.39Å; Q967-Q971 WeakPolarHBondContact O-CB 3.18Å; Q967-Q971 PolarHBondContact O-N 3.07Å |
| 968 | L | 70.6 | Confident | 66.9 | Low | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 174 | -72.4 | 167.5 | 0 | 0 | 0 | 112.2 | N964 Q965 Q971 S972 | N964-L968 WeakPolarHBondContact O-CG 3.33Å; N964-L968 PolarHBondContact O-N 2.99Å; Q965-L968 PolarHBondContact O-N 3.48Å; L968-Q971 PolarHBondContact O-N 3.18Å; L968-S972 PolarHBondContact O-N 2.88Å |
| 969 | S | 70.2 | Confident | 67.8 | Low | 49 Ų | 49 | 100.1 Ų | 100.1 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 177.2 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | Q965 L966 Q971 S972 I973 | Q965-S969 PolarHBondContact O-N 2.93Å; Q965-S969 PolarHBondContact O-OG 3.08Å; L966-S969 WeakPolarHBondContact CA-OG 3.45Å; L966-S969 PolarHBondContact O-N 3.11Å; L966-S969 PolarHBondContact O-OG 2.97Å; S969-Q971 VanDerWaalsContact C-N 3.31Å; S969-Q971 PolarHBondContact O-N 3.32Å; S969-S972 PolarHBondContact O-OG 3.35Å; S969-S972 VanDerWaalsContact O-OG 3.09Å; S969-I973 WeakPolarHBondContact O-CD1 3.34Å; S969-I973 VanDerWaalsContact O-CG1 3.23Å; S969-I973 WeakPolarHBondContact O-CG1 3.29Å; S969-I973 PolarHBondContact O-N 2.99Å; S969-I973 VanDerWaalsContact O-N 3.1Å |
| 970 | N | 59 | Low | 68.7 | Low | 100 Ų | 100 | 98.8 Ų | 98.8 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -33.7 | 175.5 | -71.5 | -23.7 | 0 | 0 | 0 | 111.8 | L966 Q967 L974 | L966-N970 WeakPolarHBondContact O-CB 3.44Å; L966-N970 PolarHBondContact O-N 3.41Å; L966-N970 PolarHBondContact O-ND2 3.11Å; L966-N970 VanDerWaalsContact O-ND2 3.16Å; Q967-N970 PolarHBondContact O-N 3.39Å; N970-L974 WeakPolarHBondContact O-CB 3.48Å; N970-L974 PolarHBondContact O-N 2.99Å |
| 971 | Q | 71.3 | Confident | 69.1 | Low | 106 Ų | 106 | 100.9 Ų | 100.9 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 177.7 | -170.2 | 166.5 | -13.3 | 0 | 0 | 112.3 | Q967 L968 S969 L974 E975 | Q967-Q971 WeakPolarHBondContact O-CB 3.18Å; Q967-Q971 PolarHBondContact O-N 3.07Å; L968-Q971 PolarHBondContact O-N 3.18Å; S969-Q971 VanDerWaalsContact C-N 3.31Å; S969-Q971 PolarHBondContact O-N 3.32Å; Q971-L974 WeakPolarHBondContact O-CB 3.41Å; Q971-L974 PolarHBondContact O-N 3.13Å; Q971-E975 PolarHBondContact O-N 3.13Å |
| 972 | S | 71.6 | Confident | 69.4 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 113 | L968 S969 L974 E975 Y976 | L968-S972 PolarHBondContact O-N 2.88Å; S969-S972 PolarHBondContact O-OG 3.35Å; S969-S972 VanDerWaalsContact O-OG 3.09Å; S972-L974 VanDerWaalsContact C-N 3.3Å; S972-L974 PolarHBondContact O-N 3.34Å; S972-E975 PolarHBondContact O-N 3.14Å; S972-Y976 WeakPolarHBondContact O-CB 3.46Å; S972-Y976 PolarHBondContact O-N 3.42Å |
| 973 | I | 69.8 | Low | 70.2 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 170.2 | -69 | 164.9 | 0 | 0 | 0 | 110.7 | S969 Y976 L977 | S969-I973 WeakPolarHBondContact O-CD1 3.34Å; S969-I973 VanDerWaalsContact O-CG1 3.23Å; S969-I973 WeakPolarHBondContact O-CG1 3.29Å; S969-I973 PolarHBondContact O-N 2.99Å; S969-I973 VanDerWaalsContact O-N 3.1Å; I973-Y976 PolarHBondContact O-N 3.01Å; I973-L977 HydrophobicContact CG2-CD1 3.99Å; I973-L977 WeakPolarHBondContact O-CG 3.42Å; I973-L977 PolarHBondContact O-N 3.12Å |
| 974 | L | 70.3 | Confident | 70.6 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 177.8 | -164.5 | 75.2 | 0 | 0 | 0 | 112.1 | N970 Q971 S972 Y976 L977 I978 | N970-L974 WeakPolarHBondContact O-CB 3.48Å; N970-L974 PolarHBondContact O-N 2.99Å; Q971-L974 WeakPolarHBondContact O-CB 3.41Å; Q971-L974 PolarHBondContact O-N 3.13Å; S972-L974 VanDerWaalsContact C-N 3.3Å; S972-L974 PolarHBondContact O-N 3.34Å; L974-Y976 VanDerWaalsContact C-N 3.33Å; L974-Y976 PolarHBondContact O-N 3.48Å; L974-L977 PolarHBondContact O-N 3.44Å; L974-I978 HydrophobicContact CD2-CD1 4.46Å; L974-I978 HydrophobicContact CG-CD1 4.06Å; L974-I978 WeakPolarHBondContact O-CB 3.38Å; L974-I978 VanDerWaalsContact O-CG1 3.26Å; L974-I978 WeakPolarHBondContact O-CG1 3.46Å; L974-I978 PolarHBondContact O-N 3.24Å |
| 975 | E | 74.5 | Confident | 71.2 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -40 | 174.5 | -73.1 | -172.6 | 161.1 | 0 | 0 | 112.1 | Q971 S972 I978 N979 | Q971-E975 PolarHBondContact O-N 3.13Å; S972-E975 PolarHBondContact O-N 3.14Å; E975-I978 PolarHBondContact O-N 3.04Å; E975-N979 PolarHBondContact O-N 3.41Å |
| 976 | Y | 70.1 | Confident | 71.8 | Confident | 159 Ų | 159 | 105.5 Ų | 105.5 | 62% | 0.624 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 176.4 | -168.7 | -107.9 | 0 | 0 | 0 | 112.3 | S972 I973 L974 N979 I980 | S972-Y976 WeakPolarHBondContact O-CB 3.46Å; S972-Y976 PolarHBondContact O-N 3.42Å; I973-Y976 PolarHBondContact O-N 3.01Å; L974-Y976 VanDerWaalsContact C-N 3.33Å; L974-Y976 PolarHBondContact O-N 3.48Å; Y976-N979 PolarHBondContact O-N 3.02Å; Y976-I980 HydrophobicContact CD1-CD1 3.84Å; Y976-I980 HydrophobicContact CE1-CD1 3.45Å; Y976-I980 VanDerWaalsContact CE1-CD1 3.45Å; Y976-I980 HydrophobicContact CE1-CG1 4.42Å; Y976-I980 PolarHBondContact O-N 3.34Å |
| 977 | L | 70.1 | Confident | 72.8 | Confident | 98 Ų | 98 | 107 Ų | 107 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 174.4 | -72.8 | 170.1 | 0 | 0 | 0 | 112.6 | I973 L974 I980 Q981 | I973-L977 HydrophobicContact CG2-CD1 3.99Å; I973-L977 WeakPolarHBondContact O-CG 3.42Å; I973-L977 PolarHBondContact O-N 3.12Å; L974-L977 PolarHBondContact O-N 3.44Å; L977-I980 PolarHBondContact O-N 2.87Å; L977-Q981 WeakPolarHBondContact O-CB 3.4Å; L977-Q981 PolarHBondContact O-N 2.93Å |
| 978 | I | 76.2 | Confident | 73.3 | Confident | 76 Ų | 76 | 106.2 Ų | 106.2 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.8 | -72.2 | 165.6 | 0 | 0 | 0 | 110.8 | L974 E975 Q981 N982 | L974-I978 HydrophobicContact CD2-CD1 4.46Å; L974-I978 HydrophobicContact CG-CD1 4.06Å; L974-I978 WeakPolarHBondContact O-CB 3.38Å; L974-I978 VanDerWaalsContact O-CG1 3.26Å; L974-I978 WeakPolarHBondContact O-CG1 3.46Å; L974-I978 PolarHBondContact O-N 3.24Å; E975-I978 PolarHBondContact O-N 3.04Å; I978-Q981 PolarHBondContact O-N 3.14Å; I978-N982 WeakPolarHBondContact O-CB 3.46Å; I978-N982 VanDerWaalsContact O-CG 3.27Å; I978-N982 PolarHBondContact O-N 3.33Å; I978-N982 PolarHBondContact O-ND2 2.87Å; I978-N982 VanDerWaalsContact O-ND2 3.16Å |
| 979 | N | 79.3 | Confident | 73.8 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -47.7 | 174.2 | -85.4 | -11.3 | 0 | 0 | 0 | 112 | E975 Y976 Q981 N982 E983 | E975-N979 PolarHBondContact O-N 3.41Å; Y976-N979 PolarHBondContact O-N 3.02Å; N979-Q981 VanDerWaalsContact C-N 3.29Å; N979-Q981 PolarHBondContact O-N 2.93Å; N979-N982 PolarHBondContact O-N 3.44Å; N979-N982 VanDerWaalsContact O-N 3.12Å; N979-E983 WeakPolarHBondContact O-CB 3.44Å; N979-E983 PolarHBondContact O-N 3.27Å |
| 980 | I | 73.3 | Confident | 74.2 | Confident | 76 Ų | 76 | 108.7 Ų | 108.7 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.5 | -71.2 | 172.6 | 0 | 0 | 0 | 111.1 | Y976 L977 N982 E983 F984 | Y976-I980 HydrophobicContact CD1-CD1 3.84Å; Y976-I980 HydrophobicContact CE1-CD1 3.45Å; Y976-I980 VanDerWaalsContact CE1-CD1 3.45Å; Y976-I980 HydrophobicContact CE1-CG1 4.42Å; Y976-I980 PolarHBondContact O-N 3.34Å; L977-I980 PolarHBondContact O-N 2.87Å; I980-N982 VanDerWaalsContact C-N 3.35Å; I980-N982 PolarHBondContact O-N 2.85Å; I980-E983 PolarHBondContact O-N 3.42Å; I980-F984 VanDerWaalsContact O-CB 3.32Å; I980-F984 WeakPolarHBondContact O-CB 3.37Å; I980-F984 PolarHBondContact O-N 2.96Å |
| 981 | Q | 73.9 | Confident | 75.1 | Confident | 130 Ų | 130 | 108.5 Ų | 108.5 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 177.3 | -172.4 | 178.7 | 8.6 | 0 | 0 | 112.2 | L977 I978 N979 K985 | L977-Q981 WeakPolarHBondContact O-CB 3.4Å; L977-Q981 PolarHBondContact O-N 2.93Å; I978-Q981 PolarHBondContact O-N 3.14Å; N979-Q981 VanDerWaalsContact C-N 3.29Å; N979-Q981 PolarHBondContact O-N 2.93Å; Q981-K985 WeakPolarHBondContact O-CB 3.37Å; Q981-K985 PolarHBondContact O-N 3.29Å; Q981-K985 VanDerWaalsContact O-N 3.12Å |
| 982 | N | 76.7 | Confident | 75.5 | Confident | 87 Ų | 87 | 106.7 Ų | 106.7 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 176.4 | -74.3 | -33.9 | 0 | 0 | 0 | 112 | I978 N979 I980 K985 L986 | I978-N982 WeakPolarHBondContact O-CB 3.46Å; I978-N982 VanDerWaalsContact O-CG 3.27Å; I978-N982 PolarHBondContact O-N 3.33Å; I978-N982 PolarHBondContact O-ND2 2.87Å; I978-N982 VanDerWaalsContact O-ND2 3.16Å; N979-N982 PolarHBondContact O-N 3.44Å; N979-N982 VanDerWaalsContact O-N 3.12Å; I980-N982 VanDerWaalsContact C-N 3.35Å; I980-N982 PolarHBondContact O-N 2.85Å; N982-K985 PolarHBondContact O-N 3.22Å; N982-L986 WeakPolarHBondContact O-CB 3.34Å; N982-L986 PolarHBondContact O-N 3.18Å |
| 983 | E | 77.6 | Confident | 76 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -51.1 | 177.9 | -173.5 | 167.9 | -132.6 | 0 | 0 | 111.1 | N979 I980 K985 L986 E987 | N979-E983 WeakPolarHBondContact O-CB 3.44Å; N979-E983 PolarHBondContact O-N 3.27Å; I980-E983 PolarHBondContact O-N 3.42Å; E983-K985 VanDerWaalsContact C-N 3.26Å; E983-K985 PolarHBondContact O-N 3.46Å; E983-L986 WeakPolarHBondContact O-CA 3.28Å; E983-L986 WeakPolarHBondContact O-CB 3.14Å; E983-L986 PolarHBondContact O-N 3.4Å; E983-E987 PolarHBondContact O-N 3.29Å |
| 984 | F | 72.1 | Confident | 76.5 | Confident | 139 Ų | 139 | 111.6 Ų | 111.6 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.4 | -34 | 175.5 | -166.9 | -90.4 | 0 | 0 | 0 | 112.6 | I980 M988 | I980-F984 VanDerWaalsContact O-CB 3.32Å; I980-F984 WeakPolarHBondContact O-CB 3.37Å; I980-F984 PolarHBondContact O-N 2.96Å; F984-M988 HydrophobicContact CD1-CG 4.09Å; F984-M988 HydrophobicContact CE1-CG 3.83Å; F984-M988 VanDerWaalsContact O-CB 3.29Å; F984-M988 WeakPolarHBondContact O-CB 3.43Å; F984-M988 WeakPolarHBondContact O-CG 3.35Å; F984-M988 PolarHBondContact O-N 2.87Å |
| 985 | K | 79 | Confident | 76.9 | Confident | 132 Ų | 132 | 110.5 Ų | 110.5 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.6 | -31.5 | 174.4 | -172.1 | 177.8 | -176.2 | -177.1 | 0 | 112.3 | Q981 N982 E983 N989 | Q981-K985 WeakPolarHBondContact O-CB 3.37Å; Q981-K985 PolarHBondContact O-N 3.29Å; Q981-K985 VanDerWaalsContact O-N 3.12Å; N982-K985 PolarHBondContact O-N 3.22Å; E983-K985 VanDerWaalsContact C-N 3.26Å; E983-K985 PolarHBondContact O-N 3.46Å; K985-N989 VanDerWaalsContact O-CG 3.24Å; K985-N989 PolarHBondContact O-N 2.96Å; K985-N989 VanDerWaalsContact O-N 3.07Å; K985-N989 PolarHBondContact O-ND2 2.67Å |
| 986 | L | 80.5 | Confident | 77.2 | Confident | 116 Ų | 116 | 108.5 Ų | 108.5 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.7 | -43.2 | 175.8 | -155.6 | 155.5 | 0 | 0 | 0 | 110.3 | N982 E983 N989 H990 | N982-L986 WeakPolarHBondContact O-CB 3.34Å; N982-L986 PolarHBondContact O-N 3.18Å; E983-L986 WeakPolarHBondContact O-CA 3.28Å; E983-L986 WeakPolarHBondContact O-CB 3.14Å; E983-L986 PolarHBondContact O-N 3.4Å; L986-N989 PolarHBondContact O-N 3.42Å; L986-H990 WeakPolarHBondContact O-CB 3.22Å; L986-H990 PolarHBondContact O-N 2.78Å |
| 987 | E | 77 | Confident | 77.7 | Confident | 137 Ų | 137 | 106 Ų | 106 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 170.3 | -69.8 | -136 | 126.8 | 0 | 0 | 112.4 | E983 N989 H990 L991 | E983-E987 PolarHBondContact O-N 3.29Å; E987-N989 PolarHBondContact O-N 2.99Å; E987-H990 CarbonylContact O-C 3.49Å; E987-H990 WeakPolarHBondContact O-CA 3.37Å; E987-H990 WeakPolarHBondContact O-CB 3.21Å; E987-H990 PolarHBondContact O-N 2.95Å; E987-L991 WeakPolarHBondContact O-CB 3.4Å; E987-L991 PolarHBondContact O-N 3.06Å |
| 988 | M | 75.7 | Confident | 78.2 | Confident | 89 Ų | 89 | 105.6 Ų | 105.6 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.2 | -48.2 | 173.4 | -94.1 | -83 | -70.9 | 0 | 0 | 112.1 | F984 H990 L991 I992 | F984-M988 HydrophobicContact CD1-CG 4.09Å; F984-M988 HydrophobicContact CE1-CG 3.83Å; F984-M988 VanDerWaalsContact O-CB 3.29Å; F984-M988 WeakPolarHBondContact O-CB 3.43Å; F984-M988 WeakPolarHBondContact O-CG 3.35Å; F984-M988 PolarHBondContact O-N 2.87Å; M988-H990 VanDerWaalsContact C-N 3.29Å; M988-H990 PolarHBondContact O-N 2.9Å; M988-L991 PolarHBondContact O-N 3.47Å; M988-I992 HydrophobicContact CE-CD1 4.18Å; M988-I992 WeakPolarHBondContact O-CB 3.33Å; M988-I992 WeakPolarHBondContact O-CD1 3.25Å; M988-I992 VanDerWaalsContact O-CG1 3.26Å; M988-I992 WeakPolarHBondContact O-CG1 3.34Å; M988-I992 PolarHBondContact O-N 3.14Å |
| 989 | N | 80.7 | Confident | 78.3 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 175.4 | -72.7 | -26.5 | 0 | 0 | 0 | 111.6 | K985 L986 E987 N993 | K985-N989 VanDerWaalsContact O-CG 3.24Å; K985-N989 PolarHBondContact O-N 2.96Å; K985-N989 VanDerWaalsContact O-N 3.07Å; K985-N989 PolarHBondContact O-ND2 2.67Å; L986-N989 PolarHBondContact O-N 3.42Å; E987-N989 PolarHBondContact O-N 2.99Å; N989-N993 WeakPolarHBondContact O-CB 3.38Å; N989-N993 PolarHBondContact O-N 3.02Å; N989-N993 PolarHBondContact O-ND2 3.45Å |
| 990 | H | 78.5 | Confident | 78.3 | Confident | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.6 | -33.4 | 178.2 | -141.9 | -36.8 | 0 | 0 | 0 | 112.7 | L986 E987 M988 R994 | L986-H990 WeakPolarHBondContact O-CB 3.22Å; L986-H990 PolarHBondContact O-N 2.78Å; E987-H990 CarbonylContact O-C 3.49Å; E987-H990 WeakPolarHBondContact O-CA 3.37Å; E987-H990 WeakPolarHBondContact O-CB 3.21Å; E987-H990 PolarHBondContact O-N 2.95Å; M988-H990 VanDerWaalsContact C-N 3.29Å; M988-H990 PolarHBondContact O-N 2.9Å; H990-R994 WeakPolarHBondContact O-CG 3.39Å; H990-R994 PolarHBondContact O-N 2.83Å; H990-R994 VanDerWaalsContact O-N 3.16Å |
| 991 | L | 77.8 | Confident | 78.6 | Confident | 95 Ų | 95 | 106.3 Ų | 106.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.2 | -46.1 | 174.2 | -174.5 | 66.8 | 0 | 0 | 0 | 111.3 | E987 M988 N993 R994 I995 | E987-L991 WeakPolarHBondContact O-CB 3.4Å; E987-L991 PolarHBondContact O-N 3.06Å; M988-L991 PolarHBondContact O-N 3.47Å; L991-N993 VanDerWaalsContact C-N 3.32Å; L991-N993 PolarHBondContact O-N 2.71Å; L991-R994 CarbonylContact O-C 3.56Å; L991-R994 WeakPolarHBondContact O-CA 3.33Å; L991-R994 WeakPolarHBondContact O-CB 3.29Å; L991-R994 PolarHBondContact O-N 2.65Å; L991-I995 HydrophobicContact CG-CD1 4.11Å; L991-I995 WeakPolarHBondContact O-CG1 3.27Å; L991-I995 PolarHBondContact O-N 2.86Å |
| 992 | I | 81 | Confident | 78.8 | Confident | 69 Ų | 69 | 104 Ų | 104 | 35% | 0.354 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 174.4 | -70.4 | 163.7 | 0 | 0 | 0 | 110.4 | M988 R994 I995 N996 | M988-I992 HydrophobicContact CE-CD1 4.18Å; M988-I992 WeakPolarHBondContact O-CB 3.33Å; M988-I992 WeakPolarHBondContact O-CD1 3.25Å; M988-I992 VanDerWaalsContact O-CG1 3.26Å; M988-I992 WeakPolarHBondContact O-CG1 3.34Å; M988-I992 PolarHBondContact O-N 3.14Å; I992-R994 VanDerWaalsContact C-N 3.27Å; I992-R994 PolarHBondContact O-N 2.9Å; I992-I995 PolarHBondContact O-N 3.24Å; I992-N996 WeakPolarHBondContact O-CB 3.46Å; I992-N996 PolarHBondContact O-N 2.96Å; I992-N996 PolarHBondContact O-ND2 3.42Å; I992-N996 PolarHBondContact O-OD1 2.85Å |
| 993 | N | 81.5 | Confident | 78.8 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -31.3 | 175.3 | -73.3 | -20.3 | 0 | 0 | 0 | 112.9 | N989 L991 H997 | N989-N993 WeakPolarHBondContact O-CB 3.38Å; N989-N993 PolarHBondContact O-N 3.02Å; N989-N993 PolarHBondContact O-ND2 3.45Å; L991-N993 VanDerWaalsContact C-N 3.32Å; L991-N993 PolarHBondContact O-N 2.71Å; N993-H997 WeakPolarHBondContact O-CB 3.3Å; N993-H997 PolarHBondContact O-N 3.41Å |
| 994 | R | 79.9 | Confident | 78.7 | Confident | 164 Ų | 164 | 103.2 Ų | 103.2 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73 | -39.4 | 172.7 | -76.9 | 176.7 | 65.9 | -179.2 | -0.2 | 112.4 | H990 L991 I992 H997 I998 | H990-R994 WeakPolarHBondContact O-CG 3.39Å; H990-R994 PolarHBondContact O-N 2.83Å; H990-R994 VanDerWaalsContact O-N 3.16Å; L991-R994 CarbonylContact O-C 3.56Å; L991-R994 WeakPolarHBondContact O-CA 3.33Å; L991-R994 WeakPolarHBondContact O-CB 3.29Å; L991-R994 PolarHBondContact O-N 2.65Å; I992-R994 VanDerWaalsContact C-N 3.27Å; I992-R994 PolarHBondContact O-N 2.9Å; R994-H997 PolarHBondContact O-N 3.29Å; R994-I998 WeakPolarHBondContact O-CD1 3.32Å; R994-I998 VanDerWaalsContact O-CG1 3.28Å; R994-I998 WeakPolarHBondContact O-CG1 3.35Å; R994-I998 PolarHBondContact O-N 3.2Å |
| 995 | I | 79.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -51.8 | 176.2 | -68 | 165.2 | 0 | 0 | 0 | 109.7 | L991 I992 H997 I998 D999 | L991-I995 HydrophobicContact CG-CD1 4.11Å; L991-I995 WeakPolarHBondContact O-CG1 3.27Å; L991-I995 PolarHBondContact O-N 2.86Å; I992-I995 PolarHBondContact O-N 3.24Å; I995-H997 PolarHBondContact O-N 3.39Å; I995-I998 CarbonylContact O-C 3.6Å; I995-I998 WeakPolarHBondContact O-CA 3.47Å; I995-I998 WeakPolarHBondContact O-CB 3.47Å; I995-I998 PolarHBondContact O-N 2.82Å; I995-D999 PolarHBondContact O-N 2.82Å |
| 996 | N | 79.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.7 | -37.9 | 176.2 | -64.3 | -13.9 | 0 | 0 | 0 | 112.3 | I992 D999 D1000 | I992-N996 WeakPolarHBondContact O-CB 3.46Å; I992-N996 PolarHBondContact O-N 2.96Å; I992-N996 PolarHBondContact O-ND2 3.42Å; I992-N996 PolarHBondContact O-OD1 2.85Å; N996-D999 PolarHBondContact O-N 3.1Å; N996-D1000 PolarHBondContact O-N 3.48Å |
| 997 | H | 80.7 | Confident | 78.3 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.4 | -32.2 | 175.9 | -170.6 | 55.9 | 0 | 0 | 0 | 113.1 | N993 R994 I995 Q1001 | N993-H997 WeakPolarHBondContact O-CB 3.3Å; N993-H997 PolarHBondContact O-N 3.41Å; R994-H997 PolarHBondContact O-N 3.29Å; I995-H997 PolarHBondContact O-N 3.39Å; H997-Q1001 PolarHBondContact NE2-NE2 3.35Å; H997-Q1001 WeakPolarHBondContact O-CB 3.44Å; H997-Q1001 WeakPolarHBondContact O-CG 3.38Å; H997-Q1001 PolarHBondContact O-N 3.49Å |
| 998 | I | 81.4 | Confident | 78.2 | Confident | 90 Ų | 90 | 95.6 Ų | 95.6 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 172.3 | -71.3 | 162.9 | 0 | 0 | 0 | 110.2 | R994 I995 Q1001 I1002 | R994-I998 WeakPolarHBondContact O-CD1 3.32Å; R994-I998 VanDerWaalsContact O-CG1 3.28Å; R994-I998 WeakPolarHBondContact O-CG1 3.35Å; R994-I998 PolarHBondContact O-N 3.2Å; I995-I998 CarbonylContact O-C 3.6Å; I995-I998 WeakPolarHBondContact O-CA 3.47Å; I995-I998 WeakPolarHBondContact O-CB 3.47Å; I995-I998 PolarHBondContact O-N 2.82Å; I998-Q1001 WeakPolarHBondContact O-CB 3.29Å; I998-Q1001 PolarHBondContact O-N 2.99Å; I998-I1002 HydrophobicContact CG2-CD1 3.73Å; I998-I1002 HydrophobicContact CG2-CG1 4.38Å; I998-I1002 WeakPolarHBondContact O-CB 3.34Å; I998-I1002 VanDerWaalsContact O-CG1 3.28Å; I998-I1002 WeakPolarHBondContact O-CG1 3.21Å; I998-I1002 PolarHBondContact O-N 3.44Å |
| 999 | D | 78.2 | Confident | 77.9 | Confident | 75 Ų | 75 | 96 Ų | 96 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.7 | -68.2 | -26.8 | 0 | 0 | 0 | 111.5 | I995 N996 Q1001 I1002 N1003 | I995-D999 PolarHBondContact O-N 2.82Å; N996-D999 PolarHBondContact O-N 3.1Å; D999-Q1001 VanDerWaalsContact C-N 3.35Å; D999-Q1001 PolarHBondContact O-N 3.21Å; D999-I1002 PolarHBondContact O-N 3.33Å; D999-N1003 WeakPolarHBondContact O-CB 3.27Å; D999-N1003 PolarHBondContact O-N 3.13Å; D999-N1003 PolarHBondContact O-ND2 3.38Å |
| 1000 | D | 80 | Confident | 77.2 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 171.9 | -89.6 | -16.6 | 0 | 0 | 0 | 111.9 | N996 N1003 Q1004 | N996-D1000 PolarHBondContact O-N 3.48Å; D1000-N1003 PolarHBondContact O-N 3.49Å; D1000-Q1004 WeakPolarHBondContact O-CB 3.38Å; D1000-Q1004 WeakPolarHBondContact O-CG 3.23Å; D1000-Q1004 PolarHBondContact O-N 2.98Å |
| 1001 | Q | 78.7 | Confident | 76.3 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.8 | -70.8 | -88.3 | -15.5 | 0 | 0 | 111.4 | H997 I998 D999 Q1004 L1005 | H997-Q1001 PolarHBondContact NE2-NE2 3.35Å; H997-Q1001 WeakPolarHBondContact O-CB 3.44Å; H997-Q1001 WeakPolarHBondContact O-CG 3.38Å; H997-Q1001 PolarHBondContact O-N 3.49Å; I998-Q1001 WeakPolarHBondContact O-CB 3.29Å; I998-Q1001 PolarHBondContact O-N 2.99Å; D999-Q1001 VanDerWaalsContact C-N 3.35Å; D999-Q1001 PolarHBondContact O-N 3.21Å; Q1001-Q1004 PolarHBondContact O-N 2.94Å; Q1001-L1005 WeakPolarHBondContact O-CB 3.09Å; Q1001-L1005 PolarHBondContact O-N 3.18Å |
| 1002 | I | 78.4 | Confident | 75.3 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.9 | -72.1 | 167.9 | 0 | 0 | 0 | 110.7 | I998 D999 Q1004 L1005 I1006 | I998-I1002 HydrophobicContact CG2-CD1 3.73Å; I998-I1002 HydrophobicContact CG2-CG1 4.38Å; I998-I1002 WeakPolarHBondContact O-CB 3.34Å; I998-I1002 VanDerWaalsContact O-CG1 3.28Å; I998-I1002 WeakPolarHBondContact O-CG1 3.21Å; I998-I1002 PolarHBondContact O-N 3.44Å; D999-I1002 PolarHBondContact O-N 3.33Å; I1002-Q1004 VanDerWaalsContact C-N 3.35Å; I1002-Q1004 PolarHBondContact O-N 3.32Å; I1002-L1005 PolarHBondContact O-N 2.83Å; I1002-L1005 VanDerWaalsContact O-N 3.11Å; I1002-I1006 HydrophobicContact CG2-CD1 3.73Å; I1002-I1006 HydrophobicContact CG2-CG1 4.35Å; I1002-I1006 VanDerWaalsContact O-CG1 3.32Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.49Å; I1002-I1006 PolarHBondContact O-N 3.22Å |
| 1003 | N | 76.7 | Confident | 73.8 | Confident | 93 Ų | 93 | 102 Ų | 102 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 176.9 | -76 | -60.9 | 0 | 0 | 0 | 112.4 | D999 D1000 T1007 | D999-N1003 WeakPolarHBondContact O-CB 3.27Å; D999-N1003 PolarHBondContact O-N 3.13Å; D999-N1003 PolarHBondContact O-ND2 3.38Å; D1000-N1003 PolarHBondContact O-N 3.49Å; N1003-T1007 WeakPolarHBondContact O-CB 3.15Å; N1003-T1007 WeakPolarHBondContact O-CG2 3.3Å; N1003-T1007 PolarHBondContact O-N 3.3Å; N1003-T1007 PolarHBondContact O-OG1 2.99Å |
| 1004 | Q | 76.3 | Confident | 72 | Confident | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 170.5 | -73.1 | 177.3 | 30.1 | 0 | 0 | 112.1 | D1000 Q1001 I1002 T1007 N1008 | D1000-Q1004 WeakPolarHBondContact O-CB 3.38Å; D1000-Q1004 WeakPolarHBondContact O-CG 3.23Å; D1000-Q1004 PolarHBondContact O-N 2.98Å; Q1001-Q1004 PolarHBondContact O-N 2.94Å; I1002-Q1004 VanDerWaalsContact C-N 3.35Å; I1002-Q1004 PolarHBondContact O-N 3.32Å; Q1004-T1007 WeakPolarHBondContact CA-OG1 3.38Å; Q1004-T1007 PolarHBondContact O-OG1 3.38Å; Q1004-N1008 VanDerWaalsContact O-CB 3.3Å; Q1004-N1008 WeakPolarHBondContact O-CB 3.41Å; Q1004-N1008 VanDerWaalsContact O-CG 3.28Å; Q1004-N1008 PolarHBondContact O-N 3.33Å; Q1004-N1008 PolarHBondContact O-ND2 3.47Å |
| 1005 | L | 73.8 | Confident | 70.3 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.1 | -42.4 | 177 | -132.2 | 162.3 | 0 | 0 | 0 | 111.4 | Q1001 I1002 N1008 I1009 | Q1001-L1005 WeakPolarHBondContact O-CB 3.09Å; Q1001-L1005 PolarHBondContact O-N 3.18Å; I1002-L1005 PolarHBondContact O-N 2.83Å; I1002-L1005 VanDerWaalsContact O-N 3.11Å; L1005-N1008 PolarHBondContact O-N 3.45Å; L1005-I1009 HydrophobicContact CD2-CD1 3.63Å; L1005-I1009 HydrophobicContact CD2-CG1 4.18Å; L1005-I1009 WeakPolarHBondContact O-CB 2.83Å; L1005-I1009 VanDerWaalsContact O-CG1 3.25Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.15Å; L1005-I1009 PolarHBondContact O-N 3.38Å |
| 1006 | I | 75.4 | Confident | 68.5 | Low | 80 Ų | 80 | 102 Ų | 102 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 174.8 | -69.5 | 167.2 | 0 | 0 | 0 | 110.7 | I1002 N1008 I1009 E1010 | I1002-I1006 HydrophobicContact CG2-CD1 3.73Å; I1002-I1006 HydrophobicContact CG2-CG1 4.35Å; I1002-I1006 VanDerWaalsContact O-CG1 3.32Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.49Å; I1002-I1006 PolarHBondContact O-N 3.22Å; I1006-N1008 VanDerWaalsContact C-N 3.35Å; I1006-N1008 PolarHBondContact O-N 3.1Å; I1006-I1009 CarbonylContact O-C 3.55Å; I1006-I1009 WeakPolarHBondContact O-CA 3.46Å; I1006-I1009 WeakPolarHBondContact O-CB 3.15Å; I1006-I1009 PolarHBondContact O-N 2.8Å; I1006-I1009 VanDerWaalsContact O-N 3.08Å; I1006-E1010 PolarHBondContact O-N 2.93Å |
| 1007 | T | 73.9 | Confident | 66.5 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -35.1 | -179.6 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | N1003 Q1004 E1010 Y1011 | N1003-T1007 WeakPolarHBondContact O-CB 3.15Å; N1003-T1007 WeakPolarHBondContact O-CG2 3.3Å; N1003-T1007 PolarHBondContact O-N 3.3Å; N1003-T1007 PolarHBondContact O-OG1 2.99Å; Q1004-T1007 WeakPolarHBondContact CA-OG1 3.38Å; Q1004-T1007 PolarHBondContact O-OG1 3.38Å; T1007-E1010 PolarHBondContact O-N 2.64Å; T1007-Y1011 WeakPolarHBondContact O-CB 3.47Å; T1007-Y1011 PolarHBondContact O-N 3.44Å |
| 1008 | N | 74.3 | Confident | 64.4 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 169.7 | -77.4 | -49.7 | 0 | 0 | 0 | 112.3 | Q1004 L1005 I1006 N1012 | Q1004-N1008 VanDerWaalsContact O-CB 3.3Å; Q1004-N1008 WeakPolarHBondContact O-CB 3.41Å; Q1004-N1008 VanDerWaalsContact O-CG 3.28Å; Q1004-N1008 PolarHBondContact O-N 3.33Å; Q1004-N1008 PolarHBondContact O-ND2 3.47Å; L1005-N1008 PolarHBondContact O-N 3.45Å; I1006-N1008 VanDerWaalsContact C-N 3.35Å; I1006-N1008 PolarHBondContact O-N 3.1Å; N1008-N1012 WeakPolarHBondContact O-CB 3.35Å; N1008-N1012 PolarHBondContact O-N 3.22Å; N1008-N1012 PolarHBondContact O-ND2 2.96Å |
| 1009 | I | 69.1 | Low | 62.2 | Low | 96 Ų | 96 | 110.2 Ų | 110.2 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -44.8 | 173.7 | -74.1 | 165 | 0 | 0 | 0 | 110.6 | L1005 I1006 Y1011 N1012 K1013 | L1005-I1009 HydrophobicContact CD2-CD1 3.63Å; L1005-I1009 HydrophobicContact CD2-CG1 4.18Å; L1005-I1009 WeakPolarHBondContact O-CB 2.83Å; L1005-I1009 VanDerWaalsContact O-CG1 3.25Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.15Å; L1005-I1009 PolarHBondContact O-N 3.38Å; I1006-I1009 CarbonylContact O-C 3.55Å; I1006-I1009 WeakPolarHBondContact O-CA 3.46Å; I1006-I1009 WeakPolarHBondContact O-CB 3.15Å; I1006-I1009 PolarHBondContact O-N 2.8Å; I1006-I1009 VanDerWaalsContact O-N 3.08Å; I1009-Y1011 PolarHBondContact O-N 3.48Å; I1009-N1012 PolarHBondContact O-N 3.47Å; I1009-K1013 WeakPolarHBondContact O-CB 3.47Å; I1009-K1013 PolarHBondContact O-N 2.92Å |
| 1010 | E | 67.2 | Low | 59.9 | Low | 118 Ų | 118 | 109.7 Ų | 109.7 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.8 | -40.9 | 177.4 | -71.3 | -170.6 | 137.1 | 0 | 0 | 112.2 | I1006 T1007 K1013 Q1014 | I1006-E1010 PolarHBondContact O-N 2.93Å; T1007-E1010 PolarHBondContact O-N 2.64Å; E1010-K1013 PolarHBondContact O-N 3.22Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.43Å; E1010-Q1014 PolarHBondContact O-N 3.48Å; E1010-Q1014 VanDerWaalsContact O-N 3.09Å |
| 1011 | Y | 59.3 | Low | 57.6 | Low | 136 Ų | 136 | 114.4 Ų | 114.4 | 53% | 0.533 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -52.3 | 175.6 | -168.7 | -95.3 | 0 | 0 | 0 | 112 | T1007 I1009 K1013 Q1014 E1015 | T1007-Y1011 WeakPolarHBondContact O-CB 3.47Å; T1007-Y1011 PolarHBondContact O-N 3.44Å; I1009-Y1011 PolarHBondContact O-N 3.48Å; Y1011-K1013 PolarHBondContact O-N 3.37Å; Y1011-Q1014 PolarHBondContact O-N 3.02Å; Y1011-E1015 VanDerWaalsContact CE1-CD 3.46Å; Y1011-E1015 HydrophobicContact CE1-CG 4.14Å; Y1011-E1015 WeakPolarHBondContact CE1-OE2 3.28Å; Y1011-E1015 PolarHBondContact O-N 3.34Å |
| 1012 | N | 55.9 | Low | 55.2 | Low | 96 Ų | 96 | 117.9 Ų | 117.9 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.2 | -32.2 | 177.2 | -78.5 | -75.4 | 0 | 0 | 0 | 112.3 | N1008 I1009 Q1014 S1016 | N1008-N1012 WeakPolarHBondContact O-CB 3.35Å; N1008-N1012 PolarHBondContact O-N 3.22Å; N1008-N1012 PolarHBondContact O-ND2 2.96Å; I1009-N1012 PolarHBondContact O-N 3.47Å; N1012-Q1014 VanDerWaalsContact C-N 3.33Å; N1012-S1016 VanDerWaalsContact O-CB 3.23Å; N1012-S1016 WeakPolarHBondContact O-CB 3.46Å; N1012-S1016 PolarHBondContact O-N 3.34Å; N1012-S1016 PolarHBondContact O-OG 2.89Å; N1012-S1016 VanDerWaalsContact O-OG 3.09Å |
| 1013 | K | 49.8 | Very low | 52.9 | Low | 150 Ų | 150 | 121.9 Ų | 121.9 | 65% | 0.652 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.3 | -20.2 | 177.5 | -158.4 | 171.2 | -170.3 | 177.9 | 0 | 113.1 | I1009 E1010 Y1011 S1017 | I1009-K1013 WeakPolarHBondContact O-CB 3.47Å; I1009-K1013 PolarHBondContact O-N 2.92Å; E1010-K1013 PolarHBondContact O-N 3.22Å; Y1011-K1013 PolarHBondContact O-N 3.37Å; K1013-S1017 PolarHBondContact O-OG 3.13Å |
| 1014 | Q | 43.8 | Very low | 50.7 | Low | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -86 | -38.5 | 171.6 | -72.7 | -179.3 | 10.4 | 0 | 0 | 112.3 | E1010 Y1011 N1012 S1017 | E1010-Q1014 WeakPolarHBondContact O-CG 3.43Å; E1010-Q1014 PolarHBondContact O-N 3.48Å; E1010-Q1014 VanDerWaalsContact O-N 3.09Å; Y1011-Q1014 PolarHBondContact O-N 3.02Å; N1012-Q1014 VanDerWaalsContact C-N 3.33Å; Q1014-S1017 PolarHBondContact O-N 3.4Å; Q1014-S1017 PolarHBondContact O-OG 3.47Å |
| 1015 | E | 45.2 | Very low | 48.7 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.3 | -45.5 | 171.3 | -75.5 | -173.1 | 141.9 | 0 | 0 | 111.4 | Y1011 S1017 H1018 | Y1011-E1015 VanDerWaalsContact CE1-CD 3.46Å; Y1011-E1015 HydrophobicContact CE1-CG 4.14Å; Y1011-E1015 WeakPolarHBondContact CE1-OE2 3.28Å; Y1011-E1015 PolarHBondContact O-N 3.34Å; E1015-S1017 PolarHBondContact O-N 2.96Å; E1015-H1018 PolarHBondContact O-N 3.48Å; E1015-H1018 VanDerWaalsContact O-N 3.12Å |
| 1016 | S | 40.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 3.6 | 179 | 79.4 | 0 | 0 | 0 | 0 | 114.9 | N1012 | N1012-S1016 VanDerWaalsContact O-CB 3.23Å; N1012-S1016 WeakPolarHBondContact O-CB 3.46Å; N1012-S1016 PolarHBondContact O-N 3.34Å; N1012-S1016 PolarHBondContact O-OG 2.89Å; N1012-S1016 VanDerWaalsContact O-OG 3.09Å |
| 1017 | S | 37.3 | Very low | 44.5 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 5.8 | 173.7 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | K1013 Q1014 E1015 | K1013-S1017 PolarHBondContact O-OG 3.13Å; Q1014-S1017 PolarHBondContact O-N 3.4Å; Q1014-S1017 PolarHBondContact O-OG 3.47Å; E1015-S1017 PolarHBondContact O-N 2.96Å |
| 1018 | H | 38 | Very low | 42.6 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -15.6 | 179.3 | -116 | -65 | 0 | 0 | 0 | 116.2 | E1015 | E1015-H1018 PolarHBondContact O-N 3.48Å; E1015-H1018 VanDerWaalsContact O-N 3.12Å |
| 1019 | E | 34.6 | Very low | 40.6 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -100.5 | 81.7 | 171 | -66.4 | -163.3 | 143.6 | 0 | 0 | 111.2 | ||
| 1020 | G | 30.2 | Very low | 38.8 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -170 | 9.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 1021 | H | 30.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | trans | -155.6 | 70.2 | 178.9 | -108.3 | -60.2 | 0 | 0 | 0 | 114.8 | ||||
| 1022 | E | 28.1 | Very low | 36.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -154 | 151.1 | 148.2 | -132.7 | 167.8 | -149.5 | 0 | 0 | 111.8 | ||||
| 1023 | H | 31.2 | Very low | 35 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | 62 | 133.5 | -174.2 | -66 | -82.6 | 0 | 0 | 0 | 117 | ||||
| 1024 | L | 29.8 | Very low | 34 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | cis | -156.2 | 140.6 | -13.1 | -176.1 | 72.8 | 0 | 0 | 0 | 108.6 | ||||
| 1025 | H | 33.9 | Very low | 33.5 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | -124.9 | 92.9 | 165.4 | -139.6 | -49.5 | 0 | 0 | 0 | 110.7 | ||||
| 1026 | Q | 30.4 | Very low | 32.6 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -142.7 | 106.8 | 166.9 | -126.8 | 175.6 | 3.5 | 0 | 0 | 108.9 | ||||
| 1027 | G | 32 | Very low | 32 | Very low | 57 Ų | 57 | 146.4 Ų | 146.4 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | trans | -81.9 | 165.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1028 | H | 33.5 | Very low | 31.7 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | cis | -147.8 | 153.4 | 3.1 | -90.4 | -62.8 | 0 | 0 | 0 | 108.5 | ||||
| 1029 | Q | 31.9 | Very low | 31.4 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | -169.7 | 108.1 | 129.7 | -107.4 | 162.9 | 3.7 | 0 | 0 | 112.8 | |||||
| 1030 | D | 31.4 | Very low | 31.2 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | 45.9 | 143.8 | 131.7 | -49.8 | -37 | 0 | 0 | 0 | 124.9 | ||||
| 1031 | H | 35.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 87 | 106.5 | 151.6 | -72.6 | -61.1 | 0 | 0 | 0 | 122.9 | ||||
| 1032 | H | 35 | Very low | 31.5 | Very low | 142 Ų | 142 | 145 Ų | 145 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | 76.6 | 124.2 | 132.2 | -73.5 | -52.7 | 0 | 0 | 0 | 122.8 | ||||
| 1033 | Q | 31.7 | Very low | 31.6 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | 67.6 | 139 | 144.4 | -64.2 | 160.3 | -30.7 | 0 | 0 | 116.4 | ||||
| 1034 | G | 29.1 | Very low | 31.6 | Very low | 60 Ų | 60 | 142.2 Ų | 142.2 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | cis | 151.7 | 150.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1035 | H | 33.2 | Very low | 31.7 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | trans | 62 | 159.8 | -170.3 | -69 | -88.4 | 0 | 0 | 0 | 113.5 | ||||
| 1036 | E | 27.4 | Very low | 31.8 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | cis | 177.3 | 152.2 | -34.1 | -111.2 | 171.9 | -175.4 | 0 | 0 | 104 | ||||
| 1037 | D | 28.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | 57.2 | 127 | 149 | -64.1 | 5.7 | 0 | 0 | 0 | 124.1 | ||||
| 1038 | H | 29.7 | Very low | 31.9 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.676 | 71% | 0.708 | S | S | * | * | 39 | 135.7 | 129.4 | -57.9 | -59.3 | 0 | 0 | 0 | 120.9 | |||||
| 1039 | H | 33.1 | Very low | 31.9 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | -170.2 | 177.7 | 66.5 | -107.1 | -60.7 | 0 | 0 | 0 | 114.2 | |||||
| 1040 | Q | 28.4 | Very low | 32 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | trans | -76.8 | 149.1 | 176.7 | -54 | 99.5 | -52.1 | 0 | 0 | 114.6 | ||||
| 1041 | G | 34.1 | Very low | 31.9 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -102.3 | 148.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1042 | H | 33.6 | Very low | 31.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | 59.2 | 138.7 | 24.5 | -65.2 | -20.5 | 0 | 0 | 0 | 113 | ||||
| 1043 | R | 30.9 | Very low | 31.7 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 70% | 0.698 | 70% | 0.703 | S | S | * | * | cis | -167.3 | 167.4 | 1.3 | -118.6 | -166.9 | 167.2 | 87.2 | 12.8 | 109.2 | ||||
| 1044 | D | 31.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 51% | 0.508 | 69% | 0.692 | S | S | . | * | cis | -162.5 | 167.1 | -12.4 | -148.9 | -31.6 | 0 | 0 | 0 | 108.7 | ||||
| 1045 | Q | 31.9 | Very low | 31.8 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | 61.5 | 162.5 | 158.9 | -73.4 | 145.7 | 49.6 | 0 | 0 | 119 | ||||
| 1046 | H | 35.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | cis | -141.9 | 166.9 | 3.1 | -127 | -73.9 | 0 | 0 | 0 | 111.4 | ||||
| 1047 | Q | 32.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -27.9 | 159.9 | 166.6 | -79.4 | 150.3 | -23.6 | 0 | 0 | 119.4 | ||||
| 1048 | S | 32 | Very low | 31.9 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | cis | -166.5 | 164.1 | 6.8 | 41.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1049 | H | 34 | Very low | 32.1 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | 26.1 | 142.1 | 151.2 | -60.9 | -63.4 | 0 | 0 | 0 | 121.1 | ||||
| 1050 | Q | 32.6 | Very low | 32.2 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | cis | -153.8 | 161.9 | 24.4 | -147.7 | 162.7 | 2.7 | 0 | 0 | 114.1 | ||||
| 1051 | D | 30.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | trans | -50.3 | 158.7 | 173.2 | -59.3 | -91.1 | 0 | 0 | 0 | 115.8 | ||||
| 1052 | Q | 31.1 | Very low | 32.1 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | cis | -153.7 | 138.5 | -0 | -126.7 | 156.2 | 51 | 0 | 0 | 112.2 | ||||
| 1053 | H | 33.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | 36.1 | 113.5 | 145.3 | -74 | -103.3 | 0 | 0 | 0 | 120.5 | ||||
| 1054 | H | 32.4 | Very low | 31.7 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | 74.1 | 131.1 | 73 | -82.2 | 8.4 | 0 | 0 | 0 | 114.7 | |||||
| 1055 | R | 32.2 | Very low | 31.7 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | cis | -144.8 | 133 | -14.3 | -80.3 | 165.9 | -167.6 | -172 | 3.1 | 104.9 | ||||
| 1056 | Q | 28.9 | Very low | 31.5 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | 52.3 | 135.6 | 72.7 | -81.3 | -153.7 | -16.2 | 0 | 0 | 116.6 | |||||
| 1057 | P | 29 | Very low | 31.2 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -134.1 | -111.9 | -131.3 | 36.1 | -9.9 | 0 | 0 | 0 | 115.9 | ||||
| 1058 | P | 32.5 | Very low | 31.1 | Very low | 106 Ų | 106 | 148 Ų | 148 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | trans | -86.1 | 168.5 | -160.9 | 45.6 | -41.8 | 0 | 0 | 0 | 112.5 | ||||
| 1059 | P | 33.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | -157 | 172.2 | 80.5 | 43.9 | -24.4 | 0 | 0 | 0 | 117.9 | |||||
| 1060 | P | 35.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -77.9 | -174.8 | 153 | 37.8 | -38.2 | 0 | 0 | 0 | 110.9 | ||||
| 1061 | P | 32.2 | Very low | 30.6 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -117.9 | -118.3 | -0.6 | 29.1 | -2.3 | 0 | 0 | 0 | 108.6 | ||||
| 1062 | P | 29.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | cis | -135.2 | 160.2 | -17 | 41.8 | -23.1 | 0 | 0 | 0 | 118.6 | ||||
| 1063 | Q | 28.9 | Very low | 31 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 31.9 | 126.3 | 139.3 | -57.9 | 172 | 6.1 | 0 | 0 | 121.4 | H1065 | Q1063-H1065 PolarHBondContact O-N 2.9Å; Q1063-H1065 VanDerWaalsContact O-N 3.15Å; Q1063-H1065 PolarHBondContact OE1-CE1 2.98Å | ||
| 1064 | Q | 27.1 | Very low | 31 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | trans | -64.4 | 111.1 | 151.3 | -79.6 | -172.8 | -11.3 | 0 | 0 | 110.6 | ||||
| 1065 | H | 30.9 | Very low | 31 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 131 | 160 | -95.7 | 30.5 | 0 | 0 | 0 | 110.1 | Q1063 | Q1063-H1065 PolarHBondContact O-N 2.9Å; Q1063-H1065 VanDerWaalsContact O-N 3.15Å; Q1063-H1065 PolarHBondContact OE1-CE1 2.98Å | ||
| 1066 | Q | 27.7 | Very low | 31.1 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -124.4 | 116.5 | 155.4 | -96.5 | -162.9 | 2.8 | 0 | 0 | 109.7 | ||||
| 1067 | K | 28.4 | Very low | 31.2 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -159.2 | 141.5 | 163.5 | -130.2 | -179.1 | 176.7 | -174.1 | 0 | 111.4 | ||||
| 1068 | H | 31.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 94.3 | 171.4 | -57 | -67.3 | 0 | 0 | 0 | 116.7 | ||||
| 1069 | G | 27.9 | Very low | 31.2 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -90.8 | -177.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1070 | G | 29.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 175.2 | 110.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1071 | S | 29.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 48.7 | 123.7 | 151.4 | -157.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1072 | S | 33.6 | Very low | 30.9 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | 150.1 | 129.8 | 107.4 | -166.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1073 | N | 36.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 56.3 | 159.1 | 154.8 | -67.2 | -21 | 0 | 0 | 0 | 121.4 | ||||
| 1074 | N | 34.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -160.7 | 158.3 | -48.5 | -138 | -29.4 | 0 | 0 | 0 | 110 | ||||
| 1075 | I | 32.9 | Very low | 31.3 | Very low | 173 Ų | 173 | 141 Ų | 141 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 132.8 | 176.7 | -63.2 | 166.5 | 0 | 0 | 0 | 115 | ||||
| 1076 | G | 33.7 | Very low | 31.2 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -148.1 | 172.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1077 | K | 31.9 | Very low | 31.4 | Very low | 202 Ų | 202 | 134 Ų | 134 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | -133 | 145.7 | -165.3 | -65.3 | 172.8 | 176.3 | 171.8 | 0 | 114.1 | ||||
| 1078 | F | 30.7 | Very low | 31.4 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -160.5 | 108.1 | 141.4 | -115 | -86 | 0 | 0 | 0 | 108.3 | ||||
| 1079 | M | 29.7 | Very low | 31.3 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | 60.4 | 126.6 | 83.4 | -102.2 | -164.4 | -168.3 | 0 | 0 | 113.8 | |||||
| 1080 | K | 31.3 | Very low | 31.5 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | cis | -152.5 | 179 | 25.6 | -86.5 | 173.9 | -177.7 | 172.5 | 0 | 108.5 | ||||
| 1081 | T | 32 | Very low | 31.4 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | cis | -176.8 | 168.2 | -11.1 | 33.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1082 | V | 31.6 | Very low | 31.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | cis | -163.3 | 137.9 | -1.7 | 124.6 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1083 | F | 29.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | 63.3 | 154.9 | 73.5 | -73.6 | -64.2 | 0 | 0 | 0 | 115.7 | |||||
| 1084 | P | 34.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | cis | -117.8 | 176.4 | 11.1 | 40.8 | -27.8 | 0 | 0 | 0 | 116.5 | ||||
| 1085 | S | 29.2 | Very low | 30.2 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -104 | -169.4 | -178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1086 | S | 29.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 86.9 | 144 | 173.2 | 82.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1087 | S | 30.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -162 | 161.9 | -12.1 | 45.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1088 | T | 30 | Very low | 29.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 54.8 | 120.1 | 147.1 | 49 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1089 | S | 27.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -54.8 | 158.7 | 147.5 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1090 | P | 33.8 | Very low | 29.4 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -139.7 | -175.9 | 94.4 | 40.3 | -28.2 | 0 | 0 | 0 | 114.5 | |||||
| 1091 | S | 25.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -81.1 | 177.7 | -171.9 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1092 | S | 26.3 | Very low | 28.7 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 76.7 | 116.5 | 137.3 | 54.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1093 | S | 27.1 | Very low | 28.3 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | 96.3 | 125.9 | 125.6 | 77.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1094 | S | 28.2 | Very low | 28 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 77.7 | 153.9 | 142.2 | 98.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1095 | V | 28.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -161.3 | 146.6 | -18.2 | 111.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1096 | R | 25.6 | Very low | 27.1 | Very low | 226 Ų | 226 | 123.3 Ų | 123.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | 57.3 | 152.8 | 157.8 | -77.1 | 178.6 | 160.2 | 170.7 | -5.4 | 122.4 | ||||
| 1097 | S | 29.5 | Very low | 26.9 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 58.2 | 119 | 142.2 | 58.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1098 | S | 27.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | cis | 66.2 | 145.9 | 40.1 | 94.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1099 | P | 34.2 | Very low | 26.2 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | cis | -139.8 | -157.9 | -13.3 | 33.4 | -9.6 | 0 | 0 | 0 | 112.9 | ||||
| 1100 | L | 25.5 | Very low | 26.1 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 82.8 | 135.2 | 149.2 | -78.7 | 166 | 0 | 0 | 0 | 121.8 | ||||
| 1101 | R | 24.4 | Very low | 25.8 | Very low | 220 Ų | 220 | 129.8 Ų | 129.8 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | 55.9 | 103.6 | 147.2 | -89.9 | -170.2 | 168.2 | -176.2 | -4.5 | 118.8 | ||||
| 1102 | S | 23.9 | Very low | 25.8 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | 91.6 | 148.4 | 77.8 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1103 | S | 24.1 | Very low | 25.8 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 69 | 153.9 | 161.1 | 52.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1104 | E | 22.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 82 | 126.4 | 161.4 | -61.4 | -150.2 | 157.7 | 0 | 0 | 120.8 | ||||
| 1105 | L | 22.3 | Very low | 25.9 | Very low | 134 Ų | 134 | 143 Ų | 143 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 61.1 | 136.6 | 157.5 | -77.3 | 71 | 0 | 0 | 0 | 116.8 | ||||
| 1106 | S | 23.3 | Very low | 25.8 | Very low | 90 Ų | 90 | 145 Ų | 145 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 68 | 159.7 | 49.2 | 111.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1107 | T | 24.5 | Very low | 26 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 69.5 | 122.4 | -154.5 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1108 | S | 22.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | 68 | 133 | 20.6 | -158.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1109 | L | 22.7 | Very low | 26.2 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | 68.8 | 113.8 | 177.7 | -51.4 | 158.4 | 0 | 0 | 0 | 113.9 | ||||
| 1110 | K | 25.5 | Very low | 25.9 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | -161.8 | 151 | 68.9 | -89.2 | 166.1 | 180 | 167.9 | 0 | 114.1 | |||||
| 1111 | S | 28.7 | Very low | 26.2 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 141 | 158.6 | -159.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1112 | R | 24.4 | Very low | 26.4 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | cis | -179.9 | 154.3 | -42 | -122.7 | -175.2 | 168.3 | -170.7 | -3.9 | 106.9 | ||||
| 1113 | R | 25.8 | Very low | 26.7 | Very low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | 70.1 | 136.2 | -174.9 | -58.3 | 173.9 | 166.7 | 158.8 | -6.3 | 112 | ||||
| 1114 | T | 30.5 | Very low | 26.9 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | cis | -162.1 | 149.6 | 1.6 | 10.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 1115 | S | 28.7 | Very low | 27.3 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -167.9 | 166 | -10.2 | 26.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1116 | N | 25.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -158 | 152.2 | 166.2 | -108.2 | -23.1 | 0 | 0 | 0 | 112.2 | ||||
| 1117 | L | 28.6 | Very low | 28.3 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 168.2 | 166.5 | -82.2 | 73.5 | 0 | 0 | 0 | 110.5 | ||||
| 1118 | T | 28.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | cis | -173.1 | 130.7 | -25.5 | -87.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1119 | I | 32.5 | Very low | 29 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 65.8 | 121.6 | 161 | -69.4 | 168.3 | 0 | 0 | 0 | 119.7 | ||||
| 1120 | S | 28.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 40.8 | 141.7 | 125.4 | -132.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1121 | S | 31 | Very low | 29.8 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | cis | -176.2 | 165.2 | -1.2 | 29.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1122 | N | 30.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | 75.5 | 117.5 | 148.4 | -78.3 | -34.8 | 0 | 0 | 0 | 122 | ||||
| 1123 | K | 28.9 | Very low | 30 | Very low | 173 Ų | 173 | 139 Ų | 139 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | 85.2 | 116.7 | 126.9 | -76.3 | -176.9 | 172.3 | -177 | 0 | 122.3 | |||||
| 1124 | I | 28.2 | Very low | 30.1 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | 99.8 | 136.2 | 126.3 | -70.9 | 169.7 | 0 | 0 | 0 | 120 | |||||
| 1125 | H | 32 | Very low | 30.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 67.9 | 114.1 | 167.1 | -81.3 | -56.1 | 0 | 0 | 0 | 122.7 | ||||
| 1126 | P | 34.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -120.4 | 152.2 | 153 | 38.4 | -27.8 | 0 | 0 | 0 | 113.7 | ||||
| 1127 | L | 31.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -148.4 | 113.7 | 166.9 | -77.8 | 176.4 | 0 | 0 | 0 | 108.1 | ||||
| 1128 | T | 30.5 | Very low | 30.9 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | 56.5 | 115.6 | 90.9 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1129 | N | 32.4 | Very low | 31 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | 179.5 | 168.9 | 69.8 | -96.1 | -26.6 | 0 | 0 | 0 | 109.8 | |||||
| 1130 | S | 31.6 | Very low | 31 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | cis | 178.6 | 152.7 | -18.5 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1131 | I | 32.9 | Very low | 31 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 66.4 | 136.5 | 137.8 | -74.6 | 167.5 | 0 | 0 | 0 | 119 | ||||
| 1132 | D | 29.9 | Very low | 31 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 56% | 0.561 | 73% | 0.727 | S | S | * | * | cis | -170 | 169.5 | -14.1 | -133.9 | -15 | 0 | 0 | 0 | 113.2 | ||||
| 1133 | R | 27.5 | Very low | 30.9 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 79% | 0.789 | 73% | 0.729 | S | S | * | * | trans | 22.4 | 162.8 | 139.9 | -73.3 | 164.2 | -140.8 | -124.7 | 1.9 | 124.4 | ||||
| 1134 | S | 28.7 | Very low | 30.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | cis | 177.4 | 144.4 | -21.8 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1135 | S | 32.3 | Very low | 31 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -170.5 | 151.6 | 150.9 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1136 | I | 31.4 | Very low | 31 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | cis | 96.3 | 126.2 | -7.4 | -54.1 | 171.7 | 0 | 0 | 0 | 116.4 | ||||
| 1137 | P | 34.8 | Very low | 30.6 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | cis | -151.8 | 172.8 | -23.5 | 44.5 | -24.6 | 0 | 0 | 0 | 119.5 | ||||
| 1138 | S | 30.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | 37.9 | 135.2 | 138.5 | 69.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1139 | I | 31.6 | Very low | 30.3 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -176.4 | 145.8 | 134.3 | -101.9 | 153.9 | 0 | 0 | 0 | 109.7 | ||||
| 1140 | I | 32 | Very low | 29.9 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | cis | -155.2 | -150.1 | -28 | -146.7 | 172.1 | 0 | 0 | 0 | 111.9 | ||||
| 1141 | Q | 29 | Very low | 29.6 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -79.6 | 137.6 | -167.2 | -61.8 | 158.9 | -11.8 | 0 | 0 | 118.3 | ||||
| 1142 | H | 32.3 | Very low | 29.3 | Very low | 153 Ų | 153 | 156 Ų | 156 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | 172.2 | 153.2 | 117.3 | -114.3 | -127.9 | 0 | 0 | 0 | 111.8 | |||||
| 1143 | R | 27.5 | Very low | 29 | Very low | 199 Ų | 199 | 158.5 Ų | 158.5 | 75% | 0.751 | 79% | 0.787 | S | S | * | * | cis | -167.9 | 98 | -34.1 | -177.6 | 171.5 | -179 | 167.2 | -3.1 | 112.8 | ||||
| 1144 | N | 29.5 | Very low | 29 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 55.4 | 144.4 | 147.9 | -83.4 | -12.5 | 0 | 0 | 0 | 124.6 | ||||
| 1145 | K | 30 | Very low | 29 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 92.3 | 141.3 | 166.3 | -61.3 | 179.9 | 179.5 | 179 | 0 | 115.7 | ||||
| 1146 | Q | 30.5 | Very low | 28.9 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | -142.3 | 150.8 | 10.9 | -147.7 | 156 | -24.9 | 0 | 0 | 113.2 | ||||
| 1147 | N | 27.6 | Very low | 28.6 | Very low | 154 Ų | 154 | 159.3 Ų | 159.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -91.8 | 150.3 | -172.4 | -57.2 | -22.4 | 0 | 0 | 0 | 113.5 | ||||
| 1148 | K | 26.4 | Very low | 28.2 | Very low | 192 Ų | 192 | 164 Ų | 164 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | -162.5 | 128.7 | 124.6 | -120.3 | 178.4 | 179.9 | -176.5 | 0 | 116 | |||||
| 1149 | M | 27.4 | Very low | 28 | Very low | 175 Ų | 175 | 164.8 Ų | 164.8 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | 61 | 125.5 | 153.5 | -81.6 | 169.1 | 153.7 | 0 | 0 | 121.6 | ||||
| 1150 | N | 24.8 | Very low | 27.9 | Very low | 156 Ų | 156 | 162.4 Ų | 162.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 149.9 | 169.3 | -40.4 | -58.7 | 0 | 0 | 0 | 110.5 | ||||
| 1151 | F | 24.4 | Very low | 27.9 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -157.5 | 158 | 130.5 | -121 | -85 | 0 | 0 | 0 | 108.7 | ||||
| 1152 | F | 26.7 | Very low | 28.1 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 63.5 | 101.5 | -173.3 | -70.9 | -83.6 | 0 | 0 | 0 | 116.8 | ||||
| 1153 | N | 24.1 | Very low | 28.1 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -136.4 | 163.3 | 158.7 | -132.6 | -25.6 | 0 | 0 | 0 | 107 | ||||
| 1154 | L | 28.3 | Very low | 28.3 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 81.9 | 118.5 | -164.2 | -49.5 | 164.6 | 0 | 0 | 0 | 112.5 | ||||
| 1155 | L | 28.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 147 Ų | 147 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | cis | -147.1 | 155.1 | 9.9 | -140.7 | 74.2 | 0 | 0 | 0 | 110 | ||||
| 1156 | P | 29.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -115.1 | 171.5 | -167.7 | 42.9 | -33.9 | 0 | 0 | 0 | 116 | ||||
| 1157 | L | 24.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 80% | 0.801 | 69% | 0.69 | S | S | * | * | trans | 64.4 | 115.8 | 159.9 | -63.3 | 158.5 | 0 | 0 | 0 | 119.3 | ||||
| 1158 | Y | 26.3 | Very low | 28.7 | Very low | 204 Ų | 204 | 136.6 Ų | 136.6 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | -176.7 | 137.6 | 111.6 | -117.7 | -112.3 | 0 | 0 | 0 | 114.4 | |||||
| 1159 | N | 26.5 | Very low | 29.1 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | trans | 32.5 | 101 | 155.1 | -63.1 | -7.5 | 0 | 0 | 0 | 122.7 | ||||
| 1160 | N | 30.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | -174.9 | 123.6 | 112.7 | -111.4 | -62.4 | 0 | 0 | 0 | 113.3 | T1162 | N1160-T1162 VanDerWaalsContact C-N 3.33Å; N1160-T1162 PolarHBondContact O-N 3.25Å; N1160-T1162 PolarHBondContact OD1-OG1 3.34Å | |||
| 1161 | P | 31.5 | Very low | 29.8 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 46% | 0.461 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -24 | 178.4 | 29 | -34.3 | 0 | 0 | 0 | 113.7 | R1163 Q1164 | P1161-R1163 VanDerWaalsContact C-N 3.28Å; P1161-R1163 PolarHBondContact O-N 2.65Å; P1161-Q1164 PolarHBondContact O-N 3.1Å; P1161-Q1164 VanDerWaalsContact O-N 3.14Å |
| 1162 | T | 32.7 | Very low | 30.2 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 42% | 0.417 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.5 | -30.4 | -178.5 | 23.6 | 0 | 0 | 0 | 0 | 114.2 | N1160 | N1160-T1162 VanDerWaalsContact C-N 3.33Å; N1160-T1162 PolarHBondContact O-N 3.25Å; N1160-T1162 PolarHBondContact OD1-OG1 3.34Å |
| 1163 | R | 32.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 61% | 0.608 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.5 | -24.6 | 177.4 | -86.2 | -172 | 171.8 | -149.2 | 2.2 | 113.4 | D616 P1161 S1167 | D616-R1163 IonicContact OD1-CZ 3.92Å; D616-R1163 IonicContact OD1-NE 3.33Å; D616-R1163 IonicContact OD1-NH2 2.72Å; D616-R1163 PolarHBondContact OD1-NH2 2.83Å; P1161-R1163 VanDerWaalsContact C-N 3.28Å; P1161-R1163 PolarHBondContact O-N 2.65Å; R1163-S1167 WeakPolarHBondContact O-CB 3.47Å; R1163-S1167 PolarHBondContact O-N 3.39Å |
| 1164 | Q | 31.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.6 | -40.4 | -179.7 | -88.5 | 176.6 | -46.4 | 0 | 0 | 112.9 | P1161 I1166 S1167 Q1168 | P1161-Q1164 PolarHBondContact O-N 3.1Å; P1161-Q1164 VanDerWaalsContact O-N 3.14Å; Q1164-I1166 VanDerWaalsContact C-N 3.35Å; Q1164-I1166 PolarHBondContact O-N 3.47Å; Q1164-S1167 WeakPolarHBondContact O-CB 3.26Å; Q1164-S1167 PolarHBondContact O-N 2.9Å; Q1164-Q1168 PolarHBondContact O-N 3.26Å |
| 1165 | C | 30 | Very low | 31.2 | Very low | 46 Ų | 46 | 118.6 Ų | 118.6 | 31% | 0.311 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 177.5 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | Y1169 | C1165-Y1169 PolarHBondContact O-N 3.26Å; C1165-Y1169 VanDerWaalsContact O-N 3.14Å |
| 1166 | I | 33.9 | Very low | 31.5 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 172.1 | -62.8 | 172.9 | 0 | 0 | 0 | 110.7 | Q1164 Q1168 Y1169 Y1170 | Q1164-I1166 VanDerWaalsContact C-N 3.35Å; Q1164-I1166 PolarHBondContact O-N 3.47Å; I1166-Q1168 PolarHBondContact O-N 3.42Å; I1166-Y1169 WeakPolarHBondContact O-CB 3.33Å; I1166-Y1169 PolarHBondContact O-N 3.18Å; I1166-Y1170 HydrophobicContact CG2-CD2 3.71Å; I1166-Y1170 HydrophobicContact CG2-CE2 3.91Å; I1166-Y1170 WeakPolarHBondContact O-CD2 3.48Å; I1166-Y1170 PolarHBondContact O-N 3.32Å |
| 1167 | S | 31.5 | Very low | 31.8 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.6 | -40.3 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | R1163 Q1164 Y1170 K1171 | R1163-S1167 WeakPolarHBondContact O-CB 3.47Å; R1163-S1167 PolarHBondContact O-N 3.39Å; Q1164-S1167 WeakPolarHBondContact O-CB 3.26Å; Q1164-S1167 PolarHBondContact O-N 2.9Å; S1167-Y1170 PolarHBondContact O-N 3.33Å; S1167-K1171 WeakPolarHBondContact O-CB 3.36Å; S1167-K1171 PolarHBondContact O-N 2.83Å |
| 1168 | Q | 32.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 111.6 Ų | 111.6 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | 173.7 | -76.5 | 179.8 | -46.8 | 0 | 0 | 112.3 | Q1164 I1166 Y1170 K1171 Q1172 | Q1164-Q1168 PolarHBondContact O-N 3.26Å; I1166-Q1168 PolarHBondContact O-N 3.42Å; Q1168-Y1170 VanDerWaalsContact C-N 3.33Å; Q1168-Y1170 PolarHBondContact O-N 3.28Å; Q1168-K1171 PolarHBondContact O-N 3.34Å; Q1168-K1171 VanDerWaalsContact O-N 3.16Å; Q1168-Q1172 PolarHBondContact O-N 3.19Å |
| 1169 | Y | 33.8 | Very low | 32.7 | Very low | 154 Ų | 154 | 104 Ų | 104 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.1 | -46 | 175.4 | -157.8 | -91.6 | 0 | 0 | 0 | 111.3 | C1165 I1166 Y1173 | C1165-Y1169 PolarHBondContact O-N 3.26Å; C1165-Y1169 VanDerWaalsContact O-N 3.14Å; I1166-Y1169 WeakPolarHBondContact O-CB 3.33Å; I1166-Y1169 PolarHBondContact O-N 3.18Å; Y1169-Y1173 HydrophobicContact CD1-CD2 4.07Å; Y1169-Y1173 HydrophobicContact CD1-CE2 4.34Å; Y1169-Y1173 AromaticContact CE1-CD2 3.84Å; Y1169-Y1173 HydrophobicContact CE1-CD2 3.84Å; Y1169-Y1173 AromaticContact CE1-CE2 3.66Å; Y1169-Y1173 HydrophobicContact CE1-CE2 3.66Å; Y1169-Y1173 AromaticContact CZ-CE2 3.9Å; Y1169-Y1173 PolarHBondContact O-N 2.72Å; Y1169-Y1173 VanDerWaalsContact O-N 3.07Å |
| 1170 | Y | 34.6 | Very low | 33.1 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.3 | -29.7 | 174.2 | -87.9 | -83.5 | 0 | 0 | 0 | 113.8 | I1166 S1167 Q1168 S1174 | I1166-Y1170 HydrophobicContact CG2-CD2 3.71Å; I1166-Y1170 HydrophobicContact CG2-CE2 3.91Å; I1166-Y1170 WeakPolarHBondContact O-CD2 3.48Å; I1166-Y1170 PolarHBondContact O-N 3.32Å; S1167-Y1170 PolarHBondContact O-N 3.33Å; Q1168-Y1170 VanDerWaalsContact C-N 3.33Å; Q1168-Y1170 PolarHBondContact O-N 3.28Å; Y1170-S1174 WeakPolarHBondContact O-CA 3.35Å; Y1170-S1174 WeakPolarHBondContact O-CB 3.44Å; Y1170-S1174 PolarHBondContact O-N 2.77Å |
| 1171 | K | 33 | Very low | 33.3 | Very low | 141 Ų | 141 | 99.9 Ų | 99.9 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 177.7 | -140.3 | -179.3 | -173.7 | -168.5 | 0 | 111.4 | S1167 Q1168 M1175 | S1167-K1171 WeakPolarHBondContact O-CB 3.36Å; S1167-K1171 PolarHBondContact O-N 2.83Å; Q1168-K1171 PolarHBondContact O-N 3.34Å; Q1168-K1171 VanDerWaalsContact O-N 3.16Å; K1171-M1175 WeakPolarHBondContact O-CG 3.27Å; K1171-M1175 PolarHBondContact O-N 3.42Å; K1171-M1175 VanDerWaalsContact O-N 3.13Å |
| 1172 | Q | 32.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 103 Ų | 103 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71 | -45 | 176.6 | -163 | 160.1 | -5.5 | 0 | 0 | 110.8 | Q1168 E1176 | Q1168-Q1172 PolarHBondContact O-N 3.19Å; Q1172-E1176 WeakPolarHBondContact O-CB 3.5Å; Q1172-E1176 PolarHBondContact O-N 3.5Å |
| 1173 | Y | 33.1 | Very low | 33.8 | Very low | 110 Ų | 110 | 105.9 Ų | 105.9 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 171.6 | -97.5 | -91 | 0 | 0 | 0 | 113.5 | Y1169 E1176 T1177 | Y1169-Y1173 HydrophobicContact CD1-CD2 4.07Å; Y1169-Y1173 HydrophobicContact CD1-CE2 4.34Å; Y1169-Y1173 AromaticContact CE1-CD2 3.84Å; Y1169-Y1173 HydrophobicContact CE1-CD2 3.84Å; Y1169-Y1173 AromaticContact CE1-CE2 3.66Å; Y1169-Y1173 HydrophobicContact CE1-CE2 3.66Å; Y1169-Y1173 AromaticContact CZ-CE2 3.9Å; Y1169-Y1173 PolarHBondContact O-N 2.72Å; Y1169-Y1173 VanDerWaalsContact O-N 3.07Å; Y1173-E1176 PolarHBondContact O-N 2.91Å; Y1173-T1177 WeakPolarHBondContact O-CG2 3.18Å; Y1173-T1177 PolarHBondContact O-N 3.11Å; Y1173-T1177 PolarHBondContact O-OG1 3.36Å |
| 1174 | S | 32.9 | Very low | 33.8 | Very low | 53 Ų | 53 | 102.8 Ų | 102.8 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -52.8 | 179.3 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | Y1170 E1176 T1177 D1178 | Y1170-S1174 WeakPolarHBondContact O-CA 3.35Å; Y1170-S1174 WeakPolarHBondContact O-CB 3.44Å; Y1170-S1174 PolarHBondContact O-N 2.77Å; S1174-E1176 PolarHBondContact O-N 3.24Å; S1174-T1177 WeakPolarHBondContact CA-OG1 3.18Å; S1174-T1177 CarbonylContact O-C 3.34Å; S1174-T1177 PolarHBondContact O-N 2.88Å; S1174-T1177 PolarHBondContact O-OG1 2.8Å; S1174-D1178 VanDerWaalsContact C-OD2 3.29Å; S1174-D1178 WeakPolarHBondContact O-CB 2.89Å; S1174-D1178 PolarHBondContact O-N 3.44Å; S1174-D1178 PolarHBondContact OG-OD2 3.41Å |
| 1175 | M | 33.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 98.4 Ų | 98.4 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58 | -34.8 | 177.9 | -74.5 | 177.3 | 147.9 | 0 | 0 | 112.2 | K1171 S1179 | K1171-M1175 WeakPolarHBondContact O-CG 3.27Å; K1171-M1175 PolarHBondContact O-N 3.42Å; K1171-M1175 VanDerWaalsContact O-N 3.13Å; M1175-S1179 WeakPolarHBondContact O-CB 3.38Å; M1175-S1179 PolarHBondContact O-N 3.44Å; M1175-S1179 PolarHBondContact O-OG 3.14Å |
| 1176 | E | 35.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 174.8 | -154.4 | 149.3 | -139.5 | 0 | 0 | 111.2 | Q1172 Y1173 S1174 S1179 Q1180 | Q1172-E1176 WeakPolarHBondContact O-CB 3.5Å; Q1172-E1176 PolarHBondContact O-N 3.5Å; Y1173-E1176 PolarHBondContact O-N 2.91Å; S1174-E1176 PolarHBondContact O-N 3.24Å; E1176-S1179 PolarHBondContact O-N 3.3Å; E1176-S1179 PolarHBondContact O-OG 3.36Å; E1176-Q1180 WeakPolarHBondContact O-CG 3.4Å; E1176-Q1180 PolarHBondContact O-N 3.25Å |
| 1177 | T | 34.4 | Very low | 34.2 | Very low | 66 Ų | 66 | 101.4 Ų | 101.4 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -33.3 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | Y1173 S1174 Q1180 L1181 | Y1173-T1177 WeakPolarHBondContact O-CG2 3.18Å; Y1173-T1177 PolarHBondContact O-N 3.11Å; Y1173-T1177 PolarHBondContact O-OG1 3.36Å; S1174-T1177 WeakPolarHBondContact CA-OG1 3.18Å; S1174-T1177 CarbonylContact O-C 3.34Å; S1174-T1177 PolarHBondContact O-N 2.88Å; S1174-T1177 PolarHBondContact O-OG1 2.8Å; T1177-Q1180 CarbonylContact O-C 3.51Å; T1177-Q1180 PolarHBondContact O-N 3.35Å; T1177-L1181 VanDerWaalsContact O-CD1 3.25Å; T1177-L1181 WeakPolarHBondContact O-CD1 3.43Å; T1177-L1181 PolarHBondContact O-N 3.5Å |
| 1178 | D | 33.2 | Very low | 34.3 | Very low | 87 Ų | 87 | 100.4 Ų | 100.4 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 176.7 | -65.9 | -43.9 | 0 | 0 | 0 | 109 | S1174 Q1180 L1181 E1182 | S1174-D1178 VanDerWaalsContact C-OD2 3.29Å; S1174-D1178 WeakPolarHBondContact O-CB 2.89Å; S1174-D1178 PolarHBondContact O-N 3.44Å; S1174-D1178 PolarHBondContact OG-OD2 3.41Å; D1178-Q1180 VanDerWaalsContact C-N 3.31Å; D1178-Q1180 PolarHBondContact O-N 3.07Å; D1178-L1181 PolarHBondContact O-N 3.3Å; D1178-E1182 PolarHBondContact O-N 3.27Å |
| 1179 | S | 36.9 | Very low | 34.4 | Very low | 46 Ų | 46 | 97.8 Ų | 97.8 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -25.7 | 171.4 | 81.2 | 0 | 0 | 0 | 0 | 114 | M1175 E1176 K1183 | M1175-S1179 WeakPolarHBondContact O-CB 3.38Å; M1175-S1179 PolarHBondContact O-N 3.44Å; M1175-S1179 PolarHBondContact O-OG 3.14Å; E1176-S1179 PolarHBondContact O-N 3.3Å; E1176-S1179 PolarHBondContact O-OG 3.36Å; S1179-K1183 WeakPolarHBondContact O-CB 3.16Å; S1179-K1183 WeakPolarHBondContact O-CG 3.48Å; S1179-K1183 PolarHBondContact O-N 2.71Å |
| 1180 | Q | 35.6 | Very low | 34.5 | Very low | 32 Ų | 32 | 94 Ų | 94 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -77 | -35.5 | 171.9 | -62.2 | -99.5 | -40.7 | 0 | 0 | 110.6 | E1176 T1177 D1178 K1183 L1184 S1267 | E1176-Q1180 WeakPolarHBondContact O-CG 3.4Å; E1176-Q1180 PolarHBondContact O-N 3.25Å; T1177-Q1180 CarbonylContact O-C 3.51Å; T1177-Q1180 PolarHBondContact O-N 3.35Å; D1178-Q1180 VanDerWaalsContact C-N 3.31Å; D1178-Q1180 PolarHBondContact O-N 3.07Å; Q1180-K1183 PolarHBondContact O-N 3.45Å; Q1180-L1184 WeakPolarHBondContact O-CB 3.26Å; Q1180-L1184 WeakPolarHBondContact O-CD1 3.13Å; Q1180-L1184 WeakPolarHBondContact O-CG 3.15Å; Q1180-L1184 PolarHBondContact O-N 3.42Å; Q1180-S1267 PolarHBondContact NE2-OG 3.4Å |
| 1181 | L | 35 | Very low | 34.5 | Very low | 114 Ų | 114 | 91.3 Ų | 91.3 | 60% | 0.597 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 173.1 | -101.5 | 80.5 | 0 | 0 | 0 | 111 | T1177 D1178 K1183 L1184 S1185 | T1177-L1181 VanDerWaalsContact O-CD1 3.25Å; T1177-L1181 WeakPolarHBondContact O-CD1 3.43Å; T1177-L1181 PolarHBondContact O-N 3.5Å; D1178-L1181 PolarHBondContact O-N 3.3Å; L1181-K1183 VanDerWaalsContact C-N 3.27Å; L1181-K1183 PolarHBondContact O-N 3.13Å; L1181-L1184 PolarHBondContact O-N 2.97Å; L1181-S1185 WeakPolarHBondContact O-CB 3.38Å; L1181-S1185 PolarHBondContact O-N 3.49Å; L1181-S1185 PolarHBondContact O-OG 3.35Å; L1181-S1185 VanDerWaalsContact O-OG 3.14Å |
| 1182 | E | 36.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 88.8 Ų | 88.8 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65 | -30.6 | 177.9 | -167.1 | 173.5 | -142.9 | 0 | 0 | 112.5 | D1178 S1185 T1186 | D1178-E1182 PolarHBondContact O-N 3.27Å; E1182-S1185 PolarHBondContact O-OG 3.41Å; E1182-S1185 VanDerWaalsContact O-OG 3.1Å; E1182-T1186 PolarHBondContact O-N 3.36Å; E1182-T1186 PolarHBondContact O-OG1 3.44Å |
| 1183 | K | 37.5 | Very low | 35 | Very low | 128 Ų | 128 | 87.2 Ų | 87.2 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -79.8 | -35 | 170.6 | -75.2 | 179.6 | 178.7 | 179 | 0 | 113.7 | S1179 Q1180 L1181 T1186 E1187 | S1179-K1183 WeakPolarHBondContact O-CB 3.16Å; S1179-K1183 WeakPolarHBondContact O-CG 3.48Å; S1179-K1183 PolarHBondContact O-N 2.71Å; Q1180-K1183 PolarHBondContact O-N 3.45Å; L1181-K1183 VanDerWaalsContact C-N 3.27Å; L1181-K1183 PolarHBondContact O-N 3.13Å; K1183-T1186 WeakPolarHBondContact CA-OG1 3.18Å; K1183-T1186 PolarHBondContact O-N 3.35Å; K1183-T1186 PolarHBondContact O-OG1 3.47Å; K1183-E1187 WeakPolarHBondContact O-CB 3.21Å; K1183-E1187 WeakPolarHBondContact O-CG 3.36Å; K1183-E1187 PolarHBondContact O-N 3.29Å |
| 1184 | L | 32.8 | Very low | 35 | Very low | 96 Ų | 96 | 87.1 Ų | 87.1 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -77.9 | -26.1 | 178.7 | -75.4 | 166.5 | 0 | 0 | 0 | 112.5 | Q1180 L1181 S1188 | Q1180-L1184 WeakPolarHBondContact O-CB 3.26Å; Q1180-L1184 WeakPolarHBondContact O-CD1 3.13Å; Q1180-L1184 WeakPolarHBondContact O-CG 3.15Å; Q1180-L1184 PolarHBondContact O-N 3.42Å; L1181-L1184 PolarHBondContact O-N 2.97Å; L1184-S1188 VanDerWaalsContact O-CB 3.25Å; L1184-S1188 WeakPolarHBondContact O-CB 3.4Å; L1184-S1188 PolarHBondContact O-N 3.04Å; L1184-S1188 PolarHBondContact O-OG 3.41Å; L1184-S1188 VanDerWaalsContact O-OG 3.11Å |
| 1185 | S | 32.2 | Very low | 35.2 | Very low | 50 Ų | 50 | 89.4 Ų | 89.4 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.5 | -46.5 | 167 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | L1181 E1182 E1187 S1188 D1189 | L1181-S1185 WeakPolarHBondContact O-CB 3.38Å; L1181-S1185 PolarHBondContact O-N 3.49Å; L1181-S1185 PolarHBondContact O-OG 3.35Å; L1181-S1185 VanDerWaalsContact O-OG 3.14Å; E1182-S1185 PolarHBondContact O-OG 3.41Å; E1182-S1185 VanDerWaalsContact O-OG 3.1Å; S1185-E1187 PolarHBondContact O-N 3.02Å; S1185-S1188 WeakPolarHBondContact CA-OG 3.48Å; S1185-S1188 PolarHBondContact O-N 3.36Å; S1185-S1188 PolarHBondContact O-OG 3.45Å; S1185-D1189 WeakPolarHBondContact O-CB 3.43Å; S1185-D1189 PolarHBondContact O-N 2.71Å |
| 1186 | T | 35.5 | Very low | 35.3 | Very low | 79 Ų | 79 | 88.3 Ų | 88.3 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.1 | -32.5 | 177.3 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | E1182 K1183 T1190 | E1182-T1186 PolarHBondContact O-N 3.36Å; E1182-T1186 PolarHBondContact O-OG1 3.44Å; K1183-T1186 WeakPolarHBondContact CA-OG1 3.18Å; K1183-T1186 PolarHBondContact O-N 3.35Å; K1183-T1186 PolarHBondContact O-OG1 3.47Å; T1186-T1190 WeakPolarHBondContact O-CB 3.24Å; T1186-T1190 WeakPolarHBondContact O-CG2 3.49Å; T1186-T1190 PolarHBondContact O-N 3.26Å; T1186-T1190 PolarHBondContact O-OG1 3.49Å |
| 1187 | E | 35.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 89.8 Ų | 89.8 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.3 | -31.7 | 169.2 | -75.5 | -174.9 | 165.2 | 0 | 0 | 113.1 | K1183 S1185 T1190 S1191 | K1183-E1187 WeakPolarHBondContact O-CB 3.21Å; K1183-E1187 WeakPolarHBondContact O-CG 3.36Å; K1183-E1187 PolarHBondContact O-N 3.29Å; S1185-E1187 PolarHBondContact O-N 3.02Å; E1187-T1190 WeakPolarHBondContact CA-OG1 3.47Å; E1187-T1190 PolarHBondContact O-OG1 3.29Å; E1187-S1191 VanDerWaalsContact O-CB 3.26Å; E1187-S1191 WeakPolarHBondContact O-CB 3.28Å; E1187-S1191 PolarHBondContact O-N 2.86Å; E1187-S1191 PolarHBondContact O-OG 3.46Å |
| 1188 | S | 33.9 | Very low | 35.4 | Very low | 47 Ų | 47 | 92.5 Ų | 92.5 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 171.6 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | L1184 S1185 T1190 S1191 I1192 | L1184-S1188 VanDerWaalsContact O-CB 3.25Å; L1184-S1188 WeakPolarHBondContact O-CB 3.4Å; L1184-S1188 PolarHBondContact O-N 3.04Å; L1184-S1188 PolarHBondContact O-OG 3.41Å; L1184-S1188 VanDerWaalsContact O-OG 3.11Å; S1185-S1188 WeakPolarHBondContact CA-OG 3.48Å; S1185-S1188 PolarHBondContact O-N 3.36Å; S1185-S1188 PolarHBondContact O-OG 3.45Å; S1188-T1190 PolarHBondContact O-N 2.68Å; S1188-S1191 PolarHBondContact O-N 2.96Å; S1188-S1191 PolarHBondContact O-OG 3.37Å; S1188-I1192 VanDerWaalsContact O-CB 3.29Å; S1188-I1192 WeakPolarHBondContact O-CB 3.28Å; S1188-I1192 WeakPolarHBondContact O-CD1 3.16Å; S1188-I1192 WeakPolarHBondContact O-CG1 3.23Å; S1188-I1192 PolarHBondContact O-N 3.07Å |
| 1189 | D | 33.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 94.4 Ų | 94.4 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | -177.7 | -63.5 | -18 | 0 | 0 | 0 | 110.9 | S1185 Q1193 | S1185-D1189 WeakPolarHBondContact O-CB 3.43Å; S1185-D1189 PolarHBondContact O-N 2.71Å; D1189-Q1193 VanDerWaalsContact O-CB 3.28Å; D1189-Q1193 WeakPolarHBondContact O-CB 3.27Å; D1189-Q1193 VanDerWaalsContact O-CG 3.23Å; D1189-Q1193 WeakPolarHBondContact O-CG 3.46Å; D1189-Q1193 PolarHBondContact O-N 3.48Å |
| 1190 | T | 37.1 | Very low | 35.3 | Very low | 75 Ų | 75 | 99.3 Ų | 99.3 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.3 | -31.9 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | T1186 E1187 S1188 L1194 | T1186-T1190 WeakPolarHBondContact O-CB 3.24Å; T1186-T1190 WeakPolarHBondContact O-CG2 3.49Å; T1186-T1190 PolarHBondContact O-N 3.26Å; T1186-T1190 PolarHBondContact O-OG1 3.49Å; E1187-T1190 WeakPolarHBondContact CA-OG1 3.47Å; E1187-T1190 PolarHBondContact O-OG1 3.29Å; S1188-T1190 PolarHBondContact O-N 2.68Å; T1190-L1194 VanDerWaalsContact O-CB 3.32Å; T1190-L1194 WeakPolarHBondContact O-CB 3.28Å; T1190-L1194 WeakPolarHBondContact O-CG 3.37Å; T1190-L1194 PolarHBondContact O-N 3.14Å |
| 1191 | S | 34.7 | Very low | 35 | Very low | 58 Ų | 58 | 106.5 Ų | 106.5 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -81 | -22.9 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | E1187 S1188 N1195 | E1187-S1191 VanDerWaalsContact O-CB 3.26Å; E1187-S1191 WeakPolarHBondContact O-CB 3.28Å; E1187-S1191 PolarHBondContact O-N 2.86Å; E1187-S1191 PolarHBondContact O-OG 3.46Å; S1188-S1191 PolarHBondContact O-N 2.96Å; S1188-S1191 PolarHBondContact O-OG 3.37Å; S1191-N1195 WeakPolarHBondContact O-CB 3.48Å; S1191-N1195 PolarHBondContact O-N 2.88Å; S1191-N1195 VanDerWaalsContact O-N 3.16Å; S1191-N1195 PolarHBondContact O-ND2 3.33Å |
| 1192 | I | 38 | Very low | 34.6 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 45% | 0.451 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.1 | -51.3 | 166 | -70.9 | 164.8 | 0 | 0 | 0 | 109 | S1188 L1194 N1195 E1196 | S1188-I1192 VanDerWaalsContact O-CB 3.29Å; S1188-I1192 WeakPolarHBondContact O-CB 3.28Å; S1188-I1192 WeakPolarHBondContact O-CD1 3.16Å; S1188-I1192 WeakPolarHBondContact O-CG1 3.23Å; S1188-I1192 PolarHBondContact O-N 3.07Å; I1192-L1194 VanDerWaalsContact C-N 3.29Å; I1192-L1194 PolarHBondContact O-N 3.28Å; I1192-N1195 CarbonylContact O-C 3.54Å; I1192-N1195 PolarHBondContact O-N 3.08Å; I1192-E1196 HydrophobicContact CG2-CG 4.41Å; I1192-E1196 WeakPolarHBondContact O-CG 3.47Å; I1192-E1196 PolarHBondContact O-N 3.38Å |
| 1193 | Q | 37.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.1 | -35.5 | 175.9 | -75 | 178.1 | 8.3 | 0 | 0 | 113.2 | D1189 Q1197 | D1189-Q1193 VanDerWaalsContact O-CB 3.28Å; D1189-Q1193 WeakPolarHBondContact O-CB 3.27Å; D1189-Q1193 VanDerWaalsContact O-CG 3.23Å; D1189-Q1193 WeakPolarHBondContact O-CG 3.46Å; D1189-Q1193 PolarHBondContact O-N 3.48Å; Q1193-Q1197 WeakPolarHBondContact O-CB 3.35Å; Q1193-Q1197 WeakPolarHBondContact O-CG 3.21Å; Q1193-Q1197 PolarHBondContact O-N 3.29Å |
| 1194 | L | 34.7 | Very low | 33.7 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.1 | -37 | 173.2 | -87.5 | 162.7 | 0 | 0 | 0 | 112.9 | T1190 I1192 I1198 | T1190-L1194 VanDerWaalsContact O-CB 3.32Å; T1190-L1194 WeakPolarHBondContact O-CB 3.28Å; T1190-L1194 WeakPolarHBondContact O-CG 3.37Å; T1190-L1194 PolarHBondContact O-N 3.14Å; I1192-L1194 VanDerWaalsContact C-N 3.29Å; I1192-L1194 PolarHBondContact O-N 3.28Å; L1194-I1198 WeakPolarHBondContact O-CB 3.45Å; L1194-I1198 WeakPolarHBondContact O-CD1 3.35Å; L1194-I1198 WeakPolarHBondContact O-CG1 3.42Å; L1194-I1198 PolarHBondContact O-N 3.24Å; L1194-I1198 VanDerWaalsContact O-N 3.16Å |
| 1195 | N | 36.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 110 Ų | 110 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.7 | -33.4 | 172.8 | -82.6 | -53.7 | 0 | 0 | 0 | 112.3 | S1191 I1192 N1199 | S1191-N1195 WeakPolarHBondContact O-CB 3.48Å; S1191-N1195 PolarHBondContact O-N 2.88Å; S1191-N1195 VanDerWaalsContact O-N 3.16Å; S1191-N1195 PolarHBondContact O-ND2 3.33Å; I1192-N1195 CarbonylContact O-C 3.54Å; I1192-N1195 PolarHBondContact O-N 3.08Å; N1195-N1199 WeakPolarHBondContact O-CB 3.47Å; N1195-N1199 PolarHBondContact O-N 3.4Å; N1195-N1199 VanDerWaalsContact O-N 3.12Å; N1195-N1199 PolarHBondContact O-ND2 2.97Å |
| 1196 | E | 35.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.3 | -43.9 | 175.4 | -70.8 | -175.6 | 130.5 | 0 | 0 | 111.8 | I1192 I1198 N1199 L1200 | I1192-E1196 HydrophobicContact CG2-CG 4.41Å; I1192-E1196 WeakPolarHBondContact O-CG 3.47Å; I1192-E1196 PolarHBondContact O-N 3.38Å; E1196-I1198 PolarHBondContact O-N 2.64Å; E1196-N1199 PolarHBondContact O-N 3.01Å; E1196-L1200 WeakPolarHBondContact O-CB 3.34Å; E1196-L1200 PolarHBondContact O-N 3Å |
| 1197 | Q | 36.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 117 Ų | 117 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -24.8 | 175.5 | -75.1 | -163.8 | 26.3 | 0 | 0 | 113.7 | Q1193 | Q1193-Q1197 WeakPolarHBondContact O-CB 3.35Å; Q1193-Q1197 WeakPolarHBondContact O-CG 3.21Å; Q1193-Q1197 PolarHBondContact O-N 3.29Å |
| 1198 | I | 36.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.4 | -31 | 174.1 | -70.4 | 170.8 | 0 | 0 | 0 | 111.7 | L1194 E1196 | L1194-I1198 WeakPolarHBondContact O-CB 3.45Å; L1194-I1198 WeakPolarHBondContact O-CD1 3.35Å; L1194-I1198 WeakPolarHBondContact O-CG1 3.42Å; L1194-I1198 PolarHBondContact O-N 3.24Å; L1194-I1198 VanDerWaalsContact O-N 3.16Å; E1196-I1198 PolarHBondContact O-N 2.64Å |
| 1199 | N | 33.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.6 | -14.8 | 179.2 | -76.4 | -75.7 | 0 | 0 | 0 | 114.9 | N1195 E1196 | N1195-N1199 WeakPolarHBondContact O-CB 3.47Å; N1195-N1199 PolarHBondContact O-N 3.4Å; N1195-N1199 VanDerWaalsContact O-N 3.12Å; N1195-N1199 PolarHBondContact O-ND2 2.97Å; E1196-N1199 PolarHBondContact O-N 3.01Å |
| 1200 | L | 32.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -98.4 | 21.5 | -179.6 | -77.3 | 164.7 | 0 | 0 | 0 | 114.8 | E1196 | E1196-L1200 WeakPolarHBondContact O-CB 3.34Å; E1196-L1200 PolarHBondContact O-N 3Å |
| 1201 | K | 30.3 | Very low | 32.6 | Very low | 184 Ų | 184 | 119.8 Ų | 119.8 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -126 | 21.6 | -176.8 | -119.5 | 175.8 | -174.9 | 174.5 | 0 | 117.3 | ||
| 1202 | Q | 26.8 | Very low | 32.6 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -146.1 | 93.2 | 162.5 | -90.1 | -176.2 | 0.3 | 0 | 0 | 111.7 | ||
| 1203 | T | 26.4 | Very low | 32.4 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | 163.3 | 96.7 | 137.9 | 43.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1204 | S | 27.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 178.2 | 119.2 | 144.6 | 27.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1205 | S | 28 | Very low | 32.4 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 54.9 | 159.3 | 162.5 | 65.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1206 | L | 29.8 | Very low | 32.3 | Very low | 159 Ų | 159 | 122 Ų | 122 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -118.7 | 163.6 | 1.8 | -90.4 | 88.5 | 0 | 0 | 0 | 113.7 | ||||
| 1207 | S | 30.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -58 | 156.2 | 168.5 | 50.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1208 | G | 31.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 121 Ų | 121 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 159.1 | 58.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1209 | S | 31.6 | Very low | 32 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | 67.7 | 106.9 | 105.5 | 68.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1210 | G | 32.4 | Very low | 31.8 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -163.9 | 115.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1211 | S | 33.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -89.7 | 147.3 | -163.5 | 53.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1212 | T | 34.5 | Very low | 32 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 147 | 149.4 | 136.5 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1213 | S | 35.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | cis | -172.9 | 125.7 | -40.8 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1214 | G | 34.7 | Very low | 32.6 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 88.3 | 158.7 | 165 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1215 | S | 36.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 106.5 Ų | 106.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | cis | -179.4 | 138.4 | -20.7 | 41.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1216 | G | 34.7 | Very low | 32.9 | Very low | 68 Ų | 68 | 107 Ų | 107 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 104.5 | 120.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1217 | S | 36.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 104.8 Ų | 104.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | 74.9 | 133.5 | 54.5 | 75.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1218 | S | 32.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | cis | -178.7 | 149.8 | -6.7 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1219 | G | 33.4 | Very low | 32.7 | Very low | 79 Ų | 79 | 106.9 Ų | 106.9 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 164.1 | 130.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1220 | S | 29.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -137.8 | -173.5 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1221 | P | 38.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 109.6 Ų | 109.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -128.7 | -164.8 | -64 | 39.1 | -24.1 | 0 | 0 | 0 | 112 | |||||
| 1222 | S | 28.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 109.7 Ų | 109.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | 78.2 | 147.1 | 162.7 | 80.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1223 | G | 32.6 | Very low | 31.8 | Very low | 77 Ų | 77 | 107.7 Ų | 107.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 156.4 | 100.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1224 | S | 31.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 106.1 Ų | 106.1 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -47.1 | 153.3 | 174.5 | 53.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1225 | G | 30.6 | Very low | 31.1 | Very low | 66 Ų | 66 | 109.6 Ų | 109.6 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | 140.4 | 133.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1226 | S | 31.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | 69.3 | 135 | 156.1 | 72.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1227 | S | 27.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -108.1 | 166.1 | 157.4 | -43.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1228 | P | 32.2 | Very low | 30 | Very low | 119 Ų | 119 | 114 Ų | 114 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | -147.9 | 146.4 | 80.8 | 37.1 | -19 | 0 | 0 | 0 | 117 | |||||
| 1229 | S | 27.8 | Very low | 29.6 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | 25.4 | 124.1 | 135.9 | -51.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1230 | K | 28 | Very low | 29.3 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | -152.1 | 118.6 | 121.4 | -119.7 | 173.8 | -179.6 | 176.6 | 0 | 115.2 | S1374 | K1230-S1374 PolarHBondContact NZ-OG 3.2Š| |||
| 1231 | I | 29.7 | Very low | 29.2 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | trans | 71.8 | 98.8 | 154.3 | -64.1 | 156.1 | 0 | 0 | 0 | 115.7 | ||||
| 1232 | I | 29.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | 75.1 | 129.4 | 62.6 | -64.8 | 164.5 | 0 | 0 | 0 | 110.9 | K1484 | I1232-K1484 HydrophobicContact CG2-CD 4.25Š| |||
| 1233 | L | 27.4 | Very low | 28.7 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 46% | 0.461 | 70% | 0.699 | S | S | . | * | cis | -164.1 | 130.7 | -5.8 | -123.1 | 46.3 | 0 | 0 | 0 | 102.1 | K1484 | L1233-K1484 HydrophobicContact CD2-CB 4.05Å; L1233-K1484 HydrophobicContact CD2-CD 4.3Å; L1233-K1484 HydrophobicContact CD2-CG 3.95Å | ||
| 1234 | S | 26.7 | Very low | 28.6 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | 78.7 | 151.7 | 53.8 | 87.8 | 0 | 0 | 0 | 0 | 115.9 | H1485 | S1234-H1485 PolarHBondContact O-ND1 3.01Å; S1234-H1485 PolarHBondContact OG-CE1 3.41Å; S1234-H1485 VanDerWaalsContact OG-CE1 3.3Å; S1234-H1485 PolarHBondContact OG-ND1 3.37Å | |||
| 1235 | K | 28.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 65% | 0.652 | 69% | 0.69 | S | S | * | * | trans | 82.1 | 134.3 | -176.2 | -67.7 | -173.4 | -171.9 | 149.9 | 0 | 117.5 | H1485 | K1235-H1485 HydrophobicContact CB-CB 4.19Å; K1235-H1485 HydrophobicContact CD-CB 4.22Å; K1235-H1485 WeakPolarHBondContact CD-ND1 3.31Å; K1235-H1485 VanDerWaalsContact CE-CE1 3.47Å; K1235-H1485 WeakPolarHBondContact CE-CE1 3.41Å; K1235-H1485 WeakPolarHBondContact CE-NE2 3.37Å; K1235-H1485 WeakPolarHBondContact CG-ND1 3.49Å; K1235-H1485 PolarHBondContact NZ-CD2 3.47Å; K1235-H1485 VanDerWaalsContact NZ-CD2 3.27Å; K1235-H1485 PolarHBondContact NZ-NE2 3.22Å | ||
| 1236 | P | 29.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -90.8 | 152.5 | 163.3 | 37 | -32.6 | 0 | 0 | 0 | 111.6 | ||||
| 1237 | I | 28.4 | Very low | 28.3 | Very low | 167 Ų | 167 | 126.2 Ų | 126.2 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -168.3 | 164.7 | 161.1 | -105.3 | 149.3 | 0 | 0 | 0 | 110.2 | ||||
| 1238 | Q | 24.7 | Very low | 28.2 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 55% | 0.551 | 68% | 0.684 | S | S | * | * | trans | -77.9 | 173.6 | -172.5 | -55.5 | 162.2 | -63.9 | 0 | 0 | 114.3 | S878 S879 | S878-Q1238 PolarHBondContact O-NE2 3.06Å; S879-Q1238 PolarHBondContact OG-NE2 2.88Å | ||
| 1239 | T | 26.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | trans | 100.8 | 88.6 | 145.4 | -42.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1240 | T | 26.2 | Very low | 27.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | 61.7 | 113 | 113 | -47.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1241 | Y | 27.1 | Very low | 27.7 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 73% | 0.725 | 69% | 0.688 | S | S | * | * | trans | 82.8 | 147.1 | 141.2 | -85.1 | -39.7 | 0 | 0 | 0 | 126.5 | ||||
| 1242 | F | 28.1 | Very low | 27.5 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | 81.5 | 83.4 | 147.5 | -94.7 | -111.9 | 0 | 0 | 0 | 124.2 | ||||
| 1243 | S | 29 | Very low | 27.2 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | 48.5 | 135.8 | 116.4 | 69.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1244 | T | 30.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | 162.8 | 156.5 | 121.3 | 38.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 1245 | N | 28.7 | Very low | 27 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | cis | -152.3 | 167.9 | 7.7 | -137.3 | -25.4 | 0 | 0 | 0 | 113 | ||||
| 1246 | L | 28 | Very low | 26.9 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | 65.5 | 133.3 | 175.6 | -85.9 | 75.3 | 0 | 0 | 0 | 115.9 | ||||
| 1247 | I | 30.5 | Very low | 26.7 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -131.5 | 118.3 | 11 | -64.3 | -176.8 | 0 | 0 | 0 | 112.2 | ||
| 1248 | N | 25.9 | Very low | 26.6 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | 56.6 | 107.4 | 143.7 | -59 | -2 | 0 | 0 | 0 | 124.4 | ||||
| 1249 | T | 24.3 | Very low | 26.6 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | 98.5 | 142.3 | 128 | -45.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1250 | V | 27.6 | Very low | 26.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | trans | 67.3 | 59.5 | -179.8 | -156.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1251 | T | 26.1 | Very low | 26.5 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | 58.8 | 104.1 | 88.4 | 69.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1252 | T | 24.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | 60 | 93.5 | 137.7 | 59.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1253 | N | 24.5 | Very low | 26.4 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | 178.1 | 156.7 | 105.9 | -97.5 | -60.6 | 0 | 0 | 0 | 114 | |||||
| 1254 | Q | 27 | Very low | 26.3 | Very low | 147 Ų | 147 | 126 Ų | 126 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | 58.2 | 92.3 | 172.5 | -63.4 | -164.1 | -1.7 | 0 | 0 | 118.8 | M1 | M1-Q1254 HydrophobicContact CE-CG 4.33Å; M1-Q1254 HydrophobicContact CG-CB 4.11Å; M1-Q1254 HydrophobicContact CG-CG 4.45Å; M1-Q1254 VanDerWaalsContact CG-OE1 3.3Å; M1-Q1254 HydrophobicContact SD-CB 3.91Å; M1-Q1254 VanDerWaalsContact SD-CD 3.55Å; M1-Q1254 HydrophobicContact SD-CG 3.81Å; M1-Q1254 PolarHBondContact SD-OE1 3.45Å | ||
| 1255 | S | 23 | Very low | 26.2 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -123.5 | 173.3 | 136.5 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1256 | I | 24.8 | Very low | 26.2 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 67% | 0.672 | 69% | 0.687 | S | S | * | * | trans | 70.4 | 71.9 | -176.9 | -40.5 | 165.3 | 0 | 0 | 0 | 115.1 | ||||
| 1257 | I | 26.7 | Very low | 26.2 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | -147.6 | 112.4 | 125.8 | -61.4 | -167.6 | 0 | 0 | 0 | 106.9 | N1259 | I1257-N1259 HydrophobicContact CG2-CB 4.46Š| |||
| 1258 | M | 25 | Very low | 25.9 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 79% | 0.788 | 68% | 0.678 | S | S | * | * | trans | -108 | 63.4 | 176.1 | -172.1 | -161.2 | -76.1 | 0 | 0 | 109.9 | R540 | R540-M1258 PolarHBondContact NH2-O 2.99Š| ||
| 1259 | N | 24.5 | Very low | 26.1 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 42% | 0.422 | 68% | 0.683 | S | S | . | * | trans | -157.1 | 79.3 | -178.1 | -146.5 | -15.4 | 0 | 0 | 0 | 114.7 | R540 I1257 | R540-N1259 PolarHBondContact NH1-OD1 2.73Å; I1257-N1259 HydrophobicContact CG2-CB 4.46Å | ||
| 1260 | Q | 28 | Very low | 26.3 | Very low | 144 Ų | 144 | 125 Ų | 125 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | trans | -145.4 | 88.2 | 169.8 | -110.8 | 174.4 | -3.6 | 0 | 0 | 111.4 | L1262 | Q1260-L1262 VanDerWaalsContact C-N 3.32Å; Q1260-L1262 PolarHBondContact O-N 2.83Å; Q1260-L1262 VanDerWaalsContact O-N 3.11Å | ||
| 1261 | S | 22.9 | Very low | 26.3 | Very low | 46 Ų | 46 | 126.7 Ų | 126.7 | 32% | 0.322 | 68% | 0.679 | S | S | . | * | trans | -78.3 | 76.6 | 169.7 | 40.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1262 | L | 27.1 | Very low | 26.4 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | trans | -89.7 | 108.9 | 175.6 | -99.4 | 167.2 | 0 | 0 | 0 | 111.6 | Q1260 N1264 | Q1260-L1262 VanDerWaalsContact C-N 3.32Å; Q1260-L1262 PolarHBondContact O-N 2.83Å; Q1260-L1262 VanDerWaalsContact O-N 3.11Å; L1262-N1264 PolarHBondContact O-N 3.22Å | ||
| 1263 | I | 26.3 | Very low | 26.4 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 54% | 0.544 | 69% | 0.685 | S | S | . | * | trans | -58.3 | 121.2 | 167 | -63.7 | 170.5 | 0 | 0 | 0 | 108.8 | K577 I579 | K577-I1263 HydrophobicContact CD-CD1 4.42Å; I579-I1263 HydrophobicContact CD1-CD1 3.61Å; I579-I1263 HydrophobicContact CD1-CG1 4.12Å | ||
| 1264 | N | 25.9 | Very low | 26.5 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -167.4 | 58.5 | 161.9 | -93.5 | -45.7 | 0 | 0 | 0 | 111.3 | L1262 | L1262-N1264 PolarHBondContact O-N 3.22Š| ||
| 1265 | Y | 28.2 | Very low | 26.4 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -97.6 | 154.7 | 147.6 | -66.8 | -77.7 | 0 | 0 | 0 | 107 | ||||
| 1266 | H | 29.5 | Very low | 26.5 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | cis | -119.9 | -160.9 | -11.3 | -149.4 | -161.7 | 0 | 0 | 0 | 107.8 | ||||
| 1267 | S | 27.4 | Very low | 26.6 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | cis | -158.5 | 148.8 | -2.3 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | Q1180 | Q1180-S1267 PolarHBondContact NE2-OG 3.4Š| ||
| 1268 | S | 25.4 | Very low | 26.6 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | trans | -160.7 | 103.9 | 164.1 | -82.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1269 | I | 29.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | trans | -126.1 | 126 | 166.3 | -65.1 | 179.9 | 0 | 0 | 0 | 107.2 | ||||
| 1270 | P | 28.8 | Very low | 26.6 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | trans | -102.5 | 153.6 | -167.7 | 37.9 | -34.8 | 0 | 0 | 0 | 114.1 | ||||
| 1271 | L | 27.9 | Very low | 26.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | trans | -138.6 | 123.7 | 162.4 | -72.8 | 177.1 | 0 | 0 | 0 | 112.5 | ||||
| 1272 | I | 27.1 | Very low | 26.8 | Very low | 144 Ų | 144 | 141 Ų | 141 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 61.9 | 118.5 | 131.5 | -58.9 | 179.6 | 0 | 0 | 0 | 119.8 | ||||
| 1273 | Y | 24.9 | Very low | 26.8 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | 27.3 | 149.1 | 133.7 | -88.7 | -122.2 | 0 | 0 | 0 | 121 | ||||
| 1274 | N | 25.8 | Very low | 26.7 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -150.9 | 169.7 | 18.5 | -160.5 | 8.3 | 0 | 0 | 0 | 113.6 | ||||
| 1275 | N | 25 | Very low | 26.8 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | trans | -81.2 | 139.8 | 174.6 | 170 | 44.7 | 0 | 0 | 0 | 113.4 | ||||
| 1276 | N | 26.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | 174.8 | 141.8 | 128.2 | -94.2 | -29.6 | 0 | 0 | 0 | 116.7 | |||||
| 1277 | N | 25.9 | Very low | 26.6 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | trans | 59 | 126.9 | 141.3 | -63 | -26.6 | 0 | 0 | 0 | 124 | ||||
| 1278 | N | 26.7 | Very low | 26.5 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 40.7 | 106.2 | 131.9 | -59.3 | -22.6 | 0 | 0 | 0 | 120.8 | ||||
| 1279 | N | 26.3 | Very low | 26.7 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -139.9 | 146.1 | 132.2 | -82.8 | -24.9 | 0 | 0 | 0 | 106 | ||||
| 1280 | R | 24.8 | Very low | 26.6 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | cis | 40.7 | 115.8 | 5 | -82.2 | -166.3 | 175.9 | 176.7 | 0.2 | 116.3 | ||||
| 1281 | N | 28 | Very low | 26.6 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | 82.4 | 92.9 | 175.9 | -43.9 | -9.7 | 0 | 0 | 0 | 113 | ||||
| 1282 | D | 26.8 | Very low | 26.7 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | 42.3 | 135.5 | 117.9 | -53.3 | -36.7 | 0 | 0 | 0 | 121 | |||||
| 1283 | L | 25.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | 61.2 | 85.3 | 151.4 | -61.1 | 161.8 | 0 | 0 | 0 | 117.9 | ||||
| 1284 | F | 25.3 | Very low | 27 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -164.8 | 16.5 | 135.4 | -129.5 | -94.6 | 0 | 0 | 0 | 119.3 | ||||
| 1285 | F | 27.7 | Very low | 27.2 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 91% | 0.912 | 74% | 0.744 | S | S | * | * | trans | -108.1 | 58.3 | 178.3 | -96.9 | -83.5 | 0 | 0 | 0 | 114.4 | ||||
| 1286 | Q | 27.2 | Very low | 27.4 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -131.1 | 33.7 | -178.3 | -156.6 | 172.8 | 1.2 | 0 | 0 | 113.4 | ||
| 1287 | S | 25.7 | Very low | 27.5 | Very low | 66 Ų | 66 | 152.1 Ų | 152.1 | 46% | 0.462 | 77% | 0.766 | S | S | . | * | S | Bend | trans | -142.5 | -10.7 | -173.5 | 57.2 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1288 | I | 26.6 | Very low | 27.5 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118.4 | -15.5 | -174.8 | -60.9 | -178.1 | 0 | 0 | 0 | 113.3 | S1290 | I1288-S1290 VanDerWaalsContact C-N 3.34Å; I1288-S1290 PolarHBondContact O-N 3.35Å |
| 1289 | S | 28.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 18.5 | 177.1 | -167.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1290 | S | 28.3 | Very low | 27.7 | Very low | 75 Ų | 75 | 156.2 Ų | 156.2 | 52% | 0.524 | 78% | 0.78 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.7 | 5.6 | -169.2 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | I1288 | I1288-S1290 VanDerWaalsContact C-N 3.34Å; I1288-S1290 PolarHBondContact O-N 3.35Å |
| 1291 | N | 28.8 | Very low | 27.8 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -119.5 | 4.2 | -173.9 | -73 | -26.3 | 0 | 0 | 0 | 114.8 | ||
| 1292 | L | 29.7 | Very low | 27.9 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -111.9 | -17.4 | 178.8 | -89.2 | 160 | 0 | 0 | 0 | 114.6 | H1294 | L1292-H1294 PolarHBondContact O-N 2.87Å; L1292-H1294 VanDerWaalsContact O-N 3.16Å |
| 1293 | D | 29.7 | Very low | 28 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 6.4 | 175.2 | -95.2 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 1294 | H | 29.2 | Very low | 28.1 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -1.7 | -167.3 | -130.2 | -59.7 | 0 | 0 | 0 | 115.9 | L1292 | L1292-H1294 PolarHBondContact O-N 2.87Å; L1292-H1294 VanDerWaalsContact O-N 3.16Å |
| 1295 | I | 29.3 | Very low | 28.5 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.5 | 49.3 | -179.9 | -42.7 | -178.6 | 0 | 0 | 0 | 110.7 | ||
| 1296 | H | 29.9 | Very low | 28.4 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -144 | 44.8 | 172.3 | -142.3 | -113.9 | 0 | 0 | 0 | 112.1 | ||
| 1297 | K | 27 | Very low | 28.4 | Very low | 204 Ų | 204 | 150.9 Ų | 150.9 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -152.4 | 14.3 | -173.3 | -132 | 171.8 | -171.6 | 172 | 0 | 115.9 | ||
| 1298 | I | 25.7 | Very low | 28.4 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -136.9 | 153.4 | 175.3 | -57.1 | 179.9 | 0 | 0 | 0 | 106.1 | ||
| 1299 | Q | 32.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 75.7 | 58.6 | -166.3 | -57 | -65.1 | 8.8 | 0 | 0 | 115.8 | ||||
| 1300 | L | 25.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -112.2 | 87.8 | 146 | -90.2 | 170.6 | 0 | 0 | 0 | 108.3 | ||||
| 1301 | N | 25.9 | Very low | 28.1 | Very low | 134 Ų | 134 | 159 Ų | 159 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -170.7 | 152.5 | 161.8 | -105.7 | -31.3 | 0 | 0 | 0 | 111.1 | ||||
| 1302 | H | 31.8 | Very low | 28 | Very low | 168 Ų | 168 | 162.5 Ų | 162.5 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | 64 | 150.5 | -174 | -57.3 | -96.3 | 0 | 0 | 0 | 115.3 | ||||
| 1303 | R | 27.3 | Very low | 27.8 | Very low | 230 Ų | 230 | 157.7 Ų | 157.7 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | cis | 177.7 | 111.4 | -43.5 | -112.4 | -179 | 177.8 | -170.1 | 0 | 104.9 | ||||
| 1304 | N | 27.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 156 Ų | 156 | 66% | 0.658 | 79% | 0.788 | S | S | * | * | trans | -25.2 | 166.1 | 144.1 | -80.6 | -2.5 | 0 | 0 | 0 | 115.7 | ||||
| 1305 | P | 34.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -148.6 | -170.3 | -21.4 | 39 | -19.4 | 0 | 0 | 0 | 115.3 | ||||
| 1306 | F | 26.4 | Very low | 27.6 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 58% | 0.575 | 79% | 0.789 | S | S | * | * | trans | 57.2 | 129.6 | 149.5 | -80.4 | -68.9 | 0 | 0 | 0 | 120.9 | P633 Y696 | P633-F1306 HydrophobicContact CB-CE2 4.34Å; P633-F1306 HydrophobicContact CG-CE2 3.9Å; P633-F1306 HydrophobicContact CG-CZ 4.06Å; Y696-F1306 HydrophobicContact CE2-CZ 4.48Å | ||
| 1307 | Y | 27.6 | Very low | 27.5 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | -156.7 | 155.9 | 106 | -126.4 | -89 | 0 | 0 | 0 | 111.8 | |||||
| 1308 | S | 23.9 | Very low | 27.6 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -111.7 | 150.4 | 179.5 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1309 | Q | 26.7 | Very low | 27.9 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -156.1 | 147.7 | 147.3 | -119 | 168.3 | 15.9 | 0 | 0 | 111.8 | ||||
| 1310 | S | 23.9 | Very low | 27.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -90.9 | 161.5 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1311 | I | 26.6 | Very low | 28 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -165.3 | 142.6 | 137 | -102.5 | 151.1 | 0 | 0 | 0 | 110.3 | ||||
| 1312 | H | 26.7 | Very low | 28.3 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -77.1 | 139.3 | 171.7 | -105.1 | -85.5 | 0 | 0 | 0 | 110.5 | ||||
| 1313 | G | 26.9 | Very low | 28.2 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | -177.2 | 136.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1314 | S | 28.2 | Very low | 28.3 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 48.4 | 91.8 | 159.1 | 45 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1315 | D | 26.7 | Very low | 28.4 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -52.6 | 168.4 | 142.6 | -57.8 | -85.4 | 0 | 0 | 0 | 112.2 | ||||
| 1316 | N | 27.8 | Very low | 28 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | 83.8 | 83 | 177.2 | -47.9 | -71.3 | 0 | 0 | 0 | 116.9 | ||||
| 1317 | L | 28.5 | Very low | 28 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -159 | -27.5 | 145.7 | -113.8 | 156.6 | 0 | 0 | 0 | 114.9 | N1319 Q1320 | L1317-N1319 PolarHBondContact O-N 2.85Å; L1317-Q1320 PolarHBondContact O-N 3.41Å |
| 1318 | M | 29.6 | Very low | 28 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 2.3 | 176.2 | -87.2 | -168.3 | 176.6 | 0 | 0 | 116 | ||
| 1319 | N | 32.1 | Very low | 28 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 3.2 | 172.6 | -94 | -20.4 | 0 | 0 | 0 | 114.4 | L1317 N1323 | L1317-N1319 PolarHBondContact O-N 2.85Å; N1319-N1323 PolarHBondContact O-ND2 3.34Å |
| 1320 | Q | 29.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -27 | 175.8 | -75 | -175.8 | -20.7 | 0 | 0 | 114.2 | L1317 F1322 | L1317-Q1320 PolarHBondContact O-N 3.41Å; Q1320-F1322 PolarHBondContact O-N 2.69Å |
| 1321 | S | 30.4 | Very low | 28.2 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -18.5 | -177.6 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1322 | F | 31.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.5 | -179.9 | -117.7 | -91.2 | 0 | 0 | 0 | 114.9 | F531 Q1320 | F531-F1322 HydrophobicContact CE1-CZ 4.32Å; F531-F1322 HydrophobicContact CZ-CE1 4.1Å; F531-F1322 HydrophobicContact CZ-CZ 4.09Å; Q1320-F1322 PolarHBondContact O-N 2.69Å |
| 1323 | N | 30.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96.3 | -5.7 | -176.3 | -76.2 | -49.7 | 0 | 0 | 0 | 114.6 | N1319 | N1319-N1323 PolarHBondContact O-ND2 3.34Š|
| 1324 | N | 29.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -106.7 | 14.6 | -176.8 | -72.8 | -4.2 | 0 | 0 | 0 | 114.3 | ||
| 1325 | L | 28.7 | Very low | 28.3 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -103.5 | 11.4 | 178.9 | -140.4 | 77.4 | 0 | 0 | 0 | 114.4 | ||
| 1326 | F | 27.3 | Very low | 28.6 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 64% | 0.64 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -122.9 | 135.1 | 164.7 | -108.4 | -107.1 | 0 | 0 | 0 | 107.9 | T504 | T504-F1326 HydrophobicContact CG2-CE1 4.16Š|
| 1327 | M | 25.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 91.6 | -167.6 | -55.4 | -164.4 | -168.5 | 0 | 0 | 116.4 | I506 F508 | I506-M1327 HydrophobicContact CD1-CE 3.77Å; I506-M1327 HydrophobicContact CG2-CE 4.26Å; F508-M1327 HydrophobicContact CZ-CE 3.78Å | ||
| 1328 | T | 27.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | -165.8 | 110.6 | 117 | 23.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1329 | T | 24.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -99.9 | 98.6 | 163.6 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1330 | T | 29 | Very low | 28.7 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -135.1 | 130 | 173.2 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1331 | S | 24.4 | Very low | 28.9 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -78 | 136.9 | -178.5 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1332 | T | 29.6 | Very low | 29 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -128.7 | 101.4 | 162.6 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1333 | T | 25.1 | Very low | 29 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -77.5 | 136.5 | 169.8 | -33.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1334 | Y | 31.1 | Very low | 29.1 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -132.9 | 156 | 161.6 | -96.5 | -78.9 | 0 | 0 | 0 | 110.5 | ||||
| 1335 | T | 26.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | -113 | 145.8 | -154 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1336 | T | 32.3 | Very low | 29.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -145.8 | 133.3 | 151.4 | 14.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1337 | D | 25.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -79.9 | 161.3 | -174.1 | -53.2 | -89.5 | 0 | 0 | 0 | 113.4 | ||||
| 1338 | Y | 32.3 | Very low | 30.3 | Very low | 231 Ų | 231 | 137 Ų | 137 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | -161.6 | 125.1 | 127.1 | -97.2 | -64.5 | 0 | 0 | 0 | 112 | |||||
| 1339 | T | 31.2 | Very low | 30.6 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | -22.9 | 148.2 | 157.8 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1340 | T | 30.7 | Very low | 31.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | cis | -168.9 | 152.5 | 26.6 | -13.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1341 | Y | 32.9 | Very low | 31.3 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | -179.8 | 151.7 | 72.4 | -98.9 | -67 | 0 | 0 | 0 | 112.7 | |||||
| 1342 | T | 32.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | 54.1 | 104.9 | 151 | 51.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1343 | T | 32.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | 48.9 | 143.4 | 121.9 | 52 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1344 | T | 32.3 | Very low | 31.7 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | cis | -151.3 | 150.5 | 29.9 | -26.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1345 | T | 31.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -39.5 | 147.8 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1346 | H | 34.6 | Very low | 31.7 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | -165.8 | 130.5 | 84.8 | -105.3 | -80.3 | 0 | 0 | 0 | 116.5 | |||||
| 1347 | T | 34.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 22.6 | 135.5 | 134.7 | 56.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1348 | T | 34.7 | Very low | 31.7 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | cis | -173.7 | -170 | 11.4 | 14.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1349 | H | 34.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | cis | -154.8 | 143.3 | 9.3 | -132.1 | -72.7 | 0 | 0 | 0 | 112.9 | ||||
| 1350 | T | 34.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.613 | 71% | 0.713 | S | S | * | * | trans | -4.9 | 157.7 | 158.3 | 63.9 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 1351 | T | 34.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | 71.3 | 145.9 | 137.2 | 45.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1352 | E | 31.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | cis | -165.1 | 161.8 | -14.1 | -132.5 | -175.6 | 136 | 0 | 0 | 114.9 | ||||
| 1353 | R | 28.4 | Very low | 31 | Very low | 205 Ų | 205 | 134.2 Ų | 134.2 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | 36 | 124 | 141.4 | -90.8 | -172.1 | -178.9 | 131.4 | -12.2 | 125.7 | ||||
| 1354 | S | 27.9 | Very low | 30.7 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 70.4 | 114.9 | 118.2 | 75.9 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 1355 | A | 28.1 | Very low | 30.6 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | 81 | 163.8 | 115.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1356 | I | 29.4 | Very low | 30.4 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 86% | 0.862 | 72% | 0.722 | S | S | * | * | trans | 73.3 | 148.4 | 170.5 | -56.7 | 169.5 | 0 | 0 | 0 | 114.2 | ||||
| 1357 | L | 27.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | cis | -176.2 | 175.2 | -36 | -163.4 | 93.8 | 0 | 0 | 0 | 104.9 | ||||
| 1358 | S | 30.7 | Very low | 30 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | 69.3 | 154.8 | 169 | 89.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1359 | D | 31.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | cis | -143.9 | 168 | -1.5 | -138.1 | -43.5 | 0 | 0 | 0 | 114.1 | ||||
| 1360 | T | 28.9 | Very low | 29.5 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | -44.4 | 156.4 | 178.1 | 48.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1361 | N | 29.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | -163.1 | 149 | 113.4 | -105.5 | -72.2 | 0 | 0 | 0 | 112.8 | |||||
| 1362 | L | 25 | Very low | 29.3 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | trans | -94 | 158.7 | 180 | -75.4 | 73.6 | 0 | 0 | 0 | 111.3 | ||||
| 1363 | Y | 29.5 | Very low | 29.2 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 93% | 0.929 | 74% | 0.74 | S | S | * | * | trans | -144.6 | 141.6 | 131.6 | -115.7 | -79.8 | 0 | 0 | 0 | 111.2 | ||||
| 1364 | T | 24.9 | Very low | 29.2 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | trans | -122.5 | 144.9 | -173.7 | -52.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1365 | I | 31.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 80% | 0.795 | 73% | 0.727 | S | S | * | * | trans | -180 | 113.8 | 147.4 | -90.4 | 144.8 | 0 | 0 | 0 | 104.7 | ||||
| 1366 | H | 27.8 | Very low | 29.5 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | 85.8 | 148.1 | 53.7 | -140.3 | -96.9 | 0 | 0 | 0 | 114.1 | |||||
| 1367 | H | 32.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 75.2 | 138.9 | -170.1 | -61.6 | -76.1 | 0 | 0 | 0 | 117.3 | ||||
| 1368 | T | 27.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 131 Ų | 131 | 64% | 0.638 | 71% | 0.712 | S | S | * | * | cis | 146.6 | 149.9 | -28.4 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1369 | S | 30.6 | Very low | 29.4 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | 96.2 | 156.2 | 161.2 | 81.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1370 | V | 28.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | trans | -144 | -175.9 | -168.2 | -127 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1371 | P | 35.8 | Very low | 29.3 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | cis | -136.2 | -172.5 | -18 | 36.6 | -16.3 | 0 | 0 | 0 | 114.6 | ||||
| 1372 | N | 28.1 | Very low | 29.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | 71 | 143.9 | 140.9 | -78.8 | -17.8 | 0 | 0 | 0 | 124.6 | ||||
| 1373 | S | 29.3 | Very low | 29.4 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | trans | 92 | 99 | 138.2 | -156.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1374 | S | 29.7 | Very low | 29.4 | Very low | 61 Ų | 61 | 119.8 Ų | 119.8 | 43% | 0.427 | 67% | 0.674 | S | S | . | * | 72.9 | 140.4 | 123.4 | -50.5 | 0 | 0 | 0 | 0 | 122.4 | K1230 | K1230-S1374 PolarHBondContact NZ-OG 3.2Š| |||
| 1375 | Y | 30.5 | Very low | 29.6 | Very low | 204 Ų | 204 | 120 Ų | 120 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | 178.3 | 122 | 112.5 | -103.4 | -97.9 | 0 | 0 | 0 | 105.8 | |||||
| 1376 | L | 30.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 119 Ų | 119 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | 58.6 | 143.7 | 102.7 | -73.5 | 169.2 | 0 | 0 | 0 | 115 | |||||
| 1377 | M | 29.6 | Very low | 29.5 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | cis | -159.7 | 145.7 | 27.4 | -149.8 | 131.4 | 168.4 | 0 | 0 | 113.7 | ||||
| 1378 | S | 27.6 | Very low | 29.2 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | 61.6 | 158.4 | 133.4 | 62.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1379 | L | 28.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | cis | -156 | 139.3 | 2.2 | -112.2 | 144.1 | 0 | 0 | 0 | 109.9 | F1480 | L1379-F1480 WeakPolarHBondContact O-CZ 3.37Š| ||
| 1380 | T | 29.1 | Very low | 28.9 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | 26.4 | 156.4 | 137.8 | 60.4 | 0 | 0 | 0 | 0 | 124.4 | F1480 | T1380-F1480 VanDerWaalsContact C-CE1 3.43Å; T1380-F1480 VanDerWaalsContact N-CE1 3.3Å | ||
| 1381 | T | 28.8 | Very low | 28.9 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 48% | 0.479 | 66% | 0.664 | S | S | . | * | cis | -178 | 150.2 | -6.4 | 33.8 | 0 | 0 | 0 | 0 | 111.4 | F1480 | T1381-F1480 VanDerWaalsContact N-CD1 3.3Š| ||
| 1382 | T | 29.8 | Very low | 28.3 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | trans | 51.6 | 157.4 | 141.1 | 60.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1383 | S | 28 | Very low | 28.2 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | cis | -175 | 173 | -22.8 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1384 | N | 29 | Very low | 28 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | trans | 79.8 | 115.8 | 144.7 | -103.4 | 28 | 0 | 0 | 0 | 124 | ||||
| 1385 | T | 29.2 | Very low | 28 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | 72.1 | 122.8 | 125.5 | 54.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1386 | N | 28.2 | Very low | 27.8 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | 115.4 | 141.8 | 115.3 | -87.5 | 6.6 | 0 | 0 | 0 | 121.2 | |||||
| 1387 | N | 28.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | trans | 76.1 | 102.3 | 147.8 | -67.7 | -1.7 | 0 | 0 | 0 | 121.2 | ||||
| 1388 | N | 26.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | 74.8 | 148.6 | 115.7 | -56.4 | -14.7 | 0 | 0 | 0 | 120.6 | |||||
| 1389 | N | 27.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 70 | 147.3 | 163.1 | -53.6 | -22.5 | 0 | 0 | 0 | 115.3 | ||||
| 1390 | S | 25.2 | Very low | 27 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | -167.4 | -170.3 | -17.6 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1391 | C | 26.6 | Very low | 26.8 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 67.8 | 106.5 | 174.8 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1392 | Q | 23.2 | Very low | 26.7 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | cis | 65.4 | 67.8 | 21.9 | -151.3 | -171.1 | 27.1 | 0 | 0 | 115 | ||||
| 1393 | L | 27.2 | Very low | 26.4 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | -123.9 | 125.7 | 131.2 | -85 | 100.2 | 0 | 0 | 0 | 106.2 | ||||
| 1394 | S | 23.9 | Very low | 26.2 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | 67.1 | 95.2 | 42.9 | -161.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1395 | V | 29.9 | Very low | 25.9 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | -170.5 | 112.1 | 117.3 | 148.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1396 | N | 26.1 | Very low | 25.8 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | 30.2 | 136.6 | 144.1 | -56.7 | -10.5 | 0 | 0 | 0 | 122.8 | ||||
| 1397 | N | 25.9 | Very low | 25.6 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 66.8 | 79.9 | 138.2 | -58.7 | -3.4 | 0 | 0 | 0 | 119.7 | ||||
| 1398 | R | 26 | Very low | 25.4 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -154 | 85.2 | 136.4 | -146.1 | 168.1 | -65.9 | -155.8 | 2.5 | 113.8 | ||||
| 1399 | W | 24.7 | Very low | 25.3 | Very low | 251 Ų | 251 | 154.8 Ų | 154.8 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -123.2 | 79.2 | 169.2 | -83.7 | 96.7 | 0 | 0 | 0 | 110.4 | ||||
| 1400 | N | 23.3 | Very low | 25.1 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -170.8 | 149.3 | 155.6 | -104.8 | -30.7 | 0 | 0 | 0 | 111.8 | ||
| 1401 | L | 23.7 | Very low | 25.1 | Very low | 144 Ų | 144 | 159.8 Ų | 159.8 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 25.9 | 110.8 | 167.1 | -74.4 | 79.5 | 0 | 0 | 0 | 120.1 | ||||
| 1402 | Q | 26.8 | Very low | 25.2 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -155.6 | 102.9 | 140.5 | -155.4 | 86.6 | 64.7 | 0 | 0 | 104.6 | ||||
| 1403 | S | 24.3 | Very low | 25.4 | Very low | 68 Ų | 68 | 154.6 Ų | 154.6 | 48% | 0.476 | 76% | 0.759 | S | S | . | * | 72.3 | 107.4 | 52.1 | 94.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1404 | D | 23.1 | Very low | 25.4 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 72.6 | 165.3 | 157.6 | -50.7 | -58.1 | 0 | 0 | 0 | 120.4 | ||||
| 1405 | I | 24.2 | Very low | 25.5 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | 64.2 | 68.1 | 176.4 | -35.8 | 179.6 | 0 | 0 | 0 | 116 | ||||
| 1406 | W | 25.6 | Very low | 25.4 | Very low | 257 Ų | 257 | 153.7 Ų | 153.7 | 97% | 0.973 | 74% | 0.742 | S | S | * | * | -130.1 | 118.9 | 128.5 | -97.2 | 87.7 | 0 | 0 | 0 | 110.5 | |||||
| 1407 | N | 24.8 | Very low | 25.5 | Very low | 118 Ų | 118 | 152 Ų | 152 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | trans | -66 | 147 | -165.2 | -66 | -52.2 | 0 | 0 | 0 | 114.6 | R1409 | N1407-R1409 PolarHBondContact O-N 2.86Š| ||
| 1408 | T | 24.6 | Very low | 25.6 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | 8.6 | 95.2 | 141.7 | 13.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1409 | R | 24.5 | Very low | 25.8 | Very low | 235 Ų | 235 | 144.1 Ų | 144.1 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -149.8 | 147.2 | 158.2 | -107.2 | 150.9 | -161.7 | -127.9 | 0.2 | 111.3 | N1407 F1411 | N1407-R1409 PolarHBondContact O-N 2.86Å; R1409-F1411 PolarHBondContact O-N 3.08Å | ||
| 1410 | L | 24.3 | Very low | 26 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | -70.4 | 127.2 | -169.1 | -64.8 | 72.3 | 0 | 0 | 0 | 110.5 | I1412 | L1410-I1412 HydrophobicContact CB-CD1 4.21Å; L1410-I1412 HydrophobicContact CB-CG1 3.96Å; L1410-I1412 HydrophobicContact CD2-CD1 4.04Å; L1410-I1412 HydrophobicContact CD2-CG1 4.08Å; L1410-I1412 PolarHBondContact O-N 3.31Å | ||
| 1411 | F | 25.4 | Very low | 26.2 | Very low | 212 Ų | 212 | 137.3 Ų | 137.3 | 93% | 0.93 | 71% | 0.708 | S | S | * | * | trans | -76.9 | 72.6 | 152.2 | -99.8 | -82.9 | 0 | 0 | 0 | 109.1 | R1409 | R1409-F1411 PolarHBondContact O-N 3.08Š| ||
| 1412 | I | 28.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 56% | 0.564 | 70% | 0.702 | S | S | * | * | trans | -59 | 131.1 | 150.1 | -70.6 | 160.1 | 0 | 0 | 0 | 105.8 | L1410 E1414 | L1410-I1412 HydrophobicContact CB-CD1 4.21Å; L1410-I1412 HydrophobicContact CB-CG1 3.96Å; L1410-I1412 HydrophobicContact CD2-CD1 4.04Å; L1410-I1412 HydrophobicContact CD2-CG1 4.08Å; L1410-I1412 PolarHBondContact O-N 3.31Å; I1412-E1414 PolarHBondContact O-N 2.88Å | ||
| 1413 | P | 27.5 | Very low | 26.7 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 47% | 0.474 | 70% | 0.698 | S | S | . | * | trans | -65.9 | 124.3 | 165.2 | 28.1 | -30.6 | 0 | 0 | 0 | 107.4 | W367 P1415 | W367-P1413 HydrophobicContact CH2-CG 3.85Å; W367-P1413 HydrophobicContact CZ2-CG 3.57Å; P1413-P1415 WeakPolarHBondContact O-CD 3.35Å | ||
| 1414 | E | 26.4 | Very low | 27 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -70.2 | 114.3 | 174.1 | -71.9 | -170.6 | 174.9 | 0 | 0 | 110.9 | I1412 S1417 | I1412-E1414 PolarHBondContact O-N 2.88Å; E1414-S1417 PolarHBondContact OE2-OG 2.85Å | ||
| 1415 | P | 26.2 | Very low | 27.7 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 46% | 0.461 | 71% | 0.709 | S | S | . | * | trans | -78.7 | 176.1 | 130.5 | 39.4 | -35.7 | 0 | 0 | 0 | 109.4 | T412 P1413 | T412-P1415 HydrophobicContact CG2-CB 4.35Å; P1413-P1415 WeakPolarHBondContact O-CD 3.35Å | ||
| 1416 | L | 27.8 | Very low | 28.3 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | trans | 75.8 | 35 | 164.8 | -52.6 | 168.2 | 0 | 0 | 0 | 118.1 | M1419 | L1416-M1419 HydrophobicContact CD2-CB 4.41Å; L1416-M1419 HydrophobicContact CD2-SD 4.49Å | ||
| 1417 | S | 27.5 | Very low | 28.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -105.5 | 15.8 | 160.8 | 44.1 | 0 | 0 | 0 | 0 | 114.6 | E1414 | E1414-S1417 PolarHBondContact OE2-OG 2.85Š|
| 1418 | V | 29.3 | Very low | 29.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -129.3 | 45.6 | 162.1 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1419 | M | 29.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -148.3 | 1.6 | 171.3 | -142.5 | 172.4 | -172.2 | 0 | 0 | 115.5 | L436 L1416 | L436-M1419 HydrophobicContact CD2-CE 3.97Å; L1416-M1419 HydrophobicContact CD2-CB 4.41Å; L1416-M1419 HydrophobicContact CD2-SD 4.49Å |
| 1420 | T | 28.5 | Very low | 30.2 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -139.1 | 100.5 | -175.9 | -44.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1421 | T | 28.4 | Very low | 30.8 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | trans | -145 | 153.4 | 166.9 | -43.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1422 | V | 29.7 | Very low | 31.5 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 62% | 0.624 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 88.7 | 111.1 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1423 | I | 31.2 | Very low | 32 | Very low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | 69.8 | 97.4 | 162.1 | -59.2 | 163.6 | 0 | 0 | 0 | 117.5 | ||||
| 1424 | T | 29.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 132.3 | 137.4 | 36.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1425 | P | 38.8 | Very low | 33 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.4 | 168.4 | 30.8 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 1426 | P | 36.9 | Very low | 33.3 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 148.8 | 176.6 | 29.7 | -34.9 | 0 | 0 | 0 | 112 | ||
| 1427 | L | 30.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131.1 | 175.1 | -71.4 | 145.9 | 0 | 0 | 0 | 111.5 | ||
| 1428 | L | 37.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -119.5 | 153 | 159.6 | -110.2 | 80.7 | 0 | 0 | 0 | 110.4 | ||||
| 1429 | P | 36.9 | Very low | 34 | Very low | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -81 | 167 | -168.4 | 33.6 | -35.9 | 0 | 0 | 0 | 113.8 | ||
| 1430 | P | 33.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 154.2 | -169.1 | 31 | -37.4 | 0 | 0 | 0 | 114.5 | ||
| 1431 | L | 37.6 | Very low | 34.3 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 155.7 | 162.4 | -96.5 | 78.4 | 0 | 0 | 0 | 111.7 | ||
| 1432 | P | 39.6 | Very low | 34.5 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 171.3 | -170.1 | -8 | 29 | 0 | 0 | 0 | 114.4 | ||
| 1433 | P | 37.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 161.6 | -173.3 | 31.7 | -36.7 | 0 | 0 | 0 | 114.9 | ||
| 1434 | P | 35.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 146.6 | -177 | 33.2 | -36 | 0 | 0 | 0 | 113.9 | ||
| 1435 | P | 40.2 | Very low | 34.6 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 144 | 163 | -7.1 | 25.1 | 0 | 0 | 0 | 111.7 | ||
| 1436 | T | 32.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 143.9 | 171.2 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1437 | T | 34.6 | Very low | 33.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | -177.2 | 118.4 | 128.2 | 18.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 1438 | T | 32.9 | Very low | 34.1 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | 37.6 | 113.8 | 133.8 | 57.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1439 | T | 31.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | 79.4 | 138.3 | 123.2 | 58.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1440 | T | 32.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 89.1 | 121.4 | 138.9 | 37.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1441 | T | 32.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | 72 | 95 | 139.2 | 51 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1442 | T | 31.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | 45.8 | 116.7 | 119.9 | 61.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 1443 | K | 31.6 | Very low | 32.7 | Very low | 202 Ų | 202 | 129.6 Ų | 129.6 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | -177 | 145.3 | 101.5 | -98.6 | 173 | -177.3 | 178.4 | 0 | 114.4 | |||||
| 1444 | S | 28.8 | Very low | 32.3 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -44.2 | 152.8 | 169.7 | 52.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1445 | I | 32.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | 173.9 | 136.9 | 116.3 | -88.3 | 156 | 0 | 0 | 0 | 113.7 | |||||
| 1446 | S | 31.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 13.8 | 129.7 | 166.4 | 64.7 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1447 | Y | 27.1 | Very low | 31.4 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | 10.1 | 150.1 | 119.2 | -65.3 | -66.4 | 0 | 0 | 0 | 120.6 | |||||
| 1448 | P | 37.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | -149.7 | -175.3 | 51.5 | 42.8 | -21.7 | 0 | 0 | 0 | 120.1 | |||||
| 1449 | F | 28.4 | Very low | 31 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | -56 | 176.2 | 164.1 | -77.6 | -95.5 | 0 | 0 | 0 | 113.8 | ||||
| 1450 | P | 35.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | cis | -149.8 | 178.1 | 23.9 | 42.4 | -19.8 | 0 | 0 | 0 | 120.4 | ||||
| 1451 | T | 31.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 49.9 | 120.3 | 143.1 | 52.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1452 | T | 29.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 73.8 | 140.1 | 116.7 | -47.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1453 | S | 31 | Very low | 30.2 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | 75.1 | 152.8 | 159.4 | 143.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1454 | Q | 27.5 | Very low | 30.2 | Very low | 139 Ų | 139 | 135 Ų | 135 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -176 | 158.7 | -25.4 | -158 | 175 | 12.6 | 0 | 0 | 107.5 | ||||
| 1455 | Y | 28.7 | Very low | 30.2 | Very low | 194 Ų | 194 | 140 Ų | 140 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 63.7 | 169.6 | 172.1 | -63.3 | -71.9 | 0 | 0 | 0 | 115.7 | ||||
| 1456 | I | 31.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | cis | -145.7 | 179.9 | 4.6 | -140.8 | 152.6 | 0 | 0 | 0 | 112.1 | ||||
| 1457 | H | 30 | Very low | 30.2 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -56.1 | 142.7 | -177.7 | -79.6 | -129.1 | 0 | 0 | 0 | 117.9 | ||||
| 1458 | S | 31.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -177.4 | 119.4 | 137.6 | 41.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1459 | S | 26.6 | Very low | 30 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 79.7 | 146.6 | 60.8 | 75.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1460 | S | 31.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 61.2 | 104.2 | 167.2 | 46.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1461 | S | 25.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | 4.4 | 148.2 | 126.9 | 58.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1462 | F | 27.8 | Very low | 29.7 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | 158 | 112.9 | 105.8 | -165.3 | -105.1 | 0 | 0 | 0 | 115.1 | |||||
| 1463 | T | 28.3 | Very low | 29.8 | Very low | 96 Ų | 96 | 139 Ų | 139 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | 44.6 | 120 | 136.9 | -42 | 0 | 0 | 0 | 0 | 123 | ||||
| 1464 | Q | 31.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | -176.9 | 152.9 | 136.2 | -107.9 | 178.9 | 68.7 | 0 | 0 | 110.7 | ||||
| 1465 | R | 27.9 | Very low | 29.8 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 75% | 0.751 | 73% | 0.731 | S | S | * | * | cis | -162.7 | 146.1 | -1.2 | -155.5 | 176.1 | -172.6 | 145 | -13.2 | 111.1 | ||||
| 1466 | S | 30.1 | Very low | 30 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 48.4 | 143.9 | 149.2 | 59.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1467 | H | 33.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | -137.3 | 142.4 | 16.6 | -88.9 | -83.5 | 0 | 0 | 0 | 109.6 | ||||
| 1468 | V | 29.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | 58.1 | 119.4 | 77.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1469 | M | 31.8 | Very low | 29.8 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 83% | 0.833 | 71% | 0.707 | S | S | * | * | cis | -122 | 153.3 | 20.7 | -56.7 | -179.7 | 173 | 0 | 0 | 111.6 | ||||
| 1470 | N | 27.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | 53.7 | 117.7 | 62.7 | -141 | 1.6 | 0 | 0 | 0 | 111.2 | N1472 | N1470-N1472 PolarHBondContact OD1-ND2 3.28Š| |||
| 1471 | T | 33.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | cis | -143.4 | 141.4 | 49.2 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1472 | N | 28.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | 49 | 112.2 | 85 | -87.2 | -52.7 | 0 | 0 | 0 | 112 | N1470 | N1470-N1472 PolarHBondContact OD1-ND2 3.28Š| |||
| 1473 | K | 30.9 | Very low | 30.5 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | -169.1 | 157.4 | 63 | -109.4 | 172.9 | 179.9 | 174.8 | 0 | 113.7 | |||||
| 1474 | L | 30.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | trans | 63.8 | 115.2 | 146.3 | -65.1 | 169.3 | 0 | 0 | 0 | 117.4 | ||||
| 1475 | N | 29 | Very low | 30.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | 68.2 | 133.1 | 83 | -79.2 | -8.5 | 0 | 0 | 0 | 113.2 | |||||
| 1476 | K | 31.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | cis | -147.8 | 147.7 | 8.4 | -116.3 | 174.3 | -180 | -177.9 | 0 | 108.1 | ||||
| 1477 | S | 29 | Very low | 30.5 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 56% | 0.559 | 67% | 0.668 | S | S | * | * | 50.2 | 136.4 | 95.7 | -61.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1478 | R | 30.3 | Very low | 30.4 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | cis | -176.1 | 159.5 | 0.9 | -118.6 | 175.1 | 143.4 | 107.2 | -3.1 | 109.4 | ||||
| 1479 | D | 30.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | trans | 63.1 | 156.8 | 138.5 | -58.6 | -14.4 | 0 | 0 | 0 | 118.9 | ||||
| 1480 | F | 32 | Very low | 30.3 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | cis | -149 | 153.5 | -4.6 | -141.4 | -133.4 | 0 | 0 | 0 | 113.3 | L1379 T1380 T1381 | L1379-F1480 WeakPolarHBondContact O-CZ 3.37Å; T1380-F1480 VanDerWaalsContact C-CE1 3.43Å; T1380-F1480 VanDerWaalsContact N-CE1 3.3Å; T1381-F1480 VanDerWaalsContact N-CD1 3.3Å | ||
| 1481 | T | 34 | Very low | 30.5 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | 46.1 | 106.5 | 150 | 51.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1482 | L | 29.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -51 | 173.6 | 133.2 | -152.1 | 89.7 | 0 | 0 | 0 | 113.6 | ||||
| 1483 | T | 30.4 | Very low | 30.4 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | trans | 86.4 | 138.5 | 169 | 76.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1484 | K | 28.9 | Very low | 30.4 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | cis | -129.9 | 147.9 | 4.2 | -105.2 | 118.2 | -176.7 | 171.2 | 0 | 109.7 | I1232 L1233 | I1232-K1484 HydrophobicContact CG2-CD 4.25Å; L1233-K1484 HydrophobicContact CD2-CB 4.05Å; L1233-K1484 HydrophobicContact CD2-CD 4.3Å; L1233-K1484 HydrophobicContact CD2-CG 3.95Å | ||
| 1485 | H | 28.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | cis | -107.2 | 0 | 34.6 | -78.6 | -116.8 | 0 | 0 | 0 | 114 | S1234 K1235 | S1234-H1485 PolarHBondContact O-ND1 3.01Å; S1234-H1485 PolarHBondContact OG-CE1 3.41Å; S1234-H1485 VanDerWaalsContact OG-CE1 3.3Å; S1234-H1485 PolarHBondContact OG-ND1 3.37Å; K1235-H1485 HydrophobicContact CB-CB 4.19Å; K1235-H1485 HydrophobicContact CD-CB 4.22Å; K1235-H1485 WeakPolarHBondContact CD-ND1 3.31Å; K1235-H1485 VanDerWaalsContact CE-CE1 3.47Å; K1235-H1485 WeakPolarHBondContact CE-CE1 3.41Å; K1235-H1485 WeakPolarHBondContact CE-NE2 3.37Å; K1235-H1485 WeakPolarHBondContact CG-ND1 3.49Å; K1235-H1485 PolarHBondContact NZ-CD2 3.47Å; K1235-H1485 VanDerWaalsContact NZ-CD2 3.27Å; K1235-H1485 PolarHBondContact NZ-NE2 3.22Å |
Retrieved 1,485 of 1,485 residues in 2090.9 ms
(Link to these results)