| 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 | 29 | Very low | 61.7 | Low | 238 Ų | 238 | 94.4 Ų | 94.4 | 100% | 1.172 | 53% | 0.532 | S | S | * | . | 0 | 68.4 | 0 | -75.9 | -173 | 168.2 | 0 | 0 | 110.4 | |||||
| 2 | N | 30.3 | Very low | 63.9 | Low | 165 Ų | 165 | 87.7 Ų | 87.7 | 88% | 0.882 | 50% | 0.495 | S | S | * | . | trans | 159.7 | 38.2 | 160.1 | -83.6 | -0.6 | 0 | 0 | 0 | 110.4 | ||||
| 3 | N | 38.3 | Very low | 65.6 | Low | 126 Ų | 126 | 85.5 Ų | 85.5 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -70.7 | 132.8 | 153.7 | -89 | -9 | 0 | 0 | 0 | 105.1 | T5 | N3-T5 VanDerWaalsContact C-N 3.33Å; N3-T5 PolarHBondContact O-N 2.8Å |
| 4 | P | 45.2 | Very low | 67.1 | Low | 114 Ų | 114 | 81.7 Ų | 81.7 | 74% | 0.74 | 46% | 0.462 | S | S | * | . | trans | -57.5 | 105.1 | 173.4 | 24.3 | -30.7 | 0 | 0 | 0 | 106.3 | I6 | P4-I6 PolarHBondContact O-N 2.85Š| ||
| 5 | T | 52.9 | Low | 68.3 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | trans | -58.4 | 108.8 | 168.7 | 35.7 | 0 | 0 | 0 | 0 | 104.6 | N3 S7 | N3-T5 VanDerWaalsContact C-N 3.33Å; N3-T5 PolarHBondContact O-N 2.8Å; T5-S7 VanDerWaalsContact C-N 3.32Å; T5-S7 PolarHBondContact O-N 3.27Å | ||
| 6 | I | 67.9 | Low | 69.1 | Low | 79 Ų | 79 | 76.3 Ų | 76.3 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | trans | -60.3 | 105.4 | 174.9 | -70.6 | 160.4 | 0 | 0 | 0 | 104.9 | P4 F555 | P4-I6 PolarHBondContact O-N 2.85Å; I6-F555 HydrophobicContact CG2-CD1 3.9Å; I6-F555 HydrophobicContact CG2-CE1 4.25Å; I6-F555 WeakPolarHBondContact O-CE1 3.37Å | ||
| 7 | S | 76.2 | Confident | 69.6 | Low | 71 Ų | 71 | 82.1 Ų | 82.1 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | trans | -70.5 | 133.5 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | T5 I9 | T5-S7 VanDerWaalsContact C-N 3.32Å; T5-S7 PolarHBondContact O-N 3.27Å; S7-I9 PolarHBondContact O-N 3.44Å | ||
| 8 | P | 83.8 | Confident | 69.8 | Low | 20 Ų | 20 | 78.7 Ų | 78.7 | 13% | 0.13 | 44% | 0.443 | C | S | . | . | trans | -59.5 | 140.3 | 170.7 | 26.4 | -33.1 | 0 | 0 | 0 | 109.2 | T10 W498 L553 S554 F555 | P8-T10 VanDerWaalsContact C-N 3.28Å; P8-W498 HydrophobicContact CG-CE3 4.08Å; P8-W498 HydrophobicContact CG-CZ3 3.65Å; P8-L553 HydrophobicContact CB-CB 4.21Å; P8-L553 HydrophobicContact CG-CD2 4.15Å; P8-S554 CarbonylContact C-O 3.46Å; P8-S554 WeakPolarHBondContact CA-O 3.39Å; P8-S554 WeakPolarHBondContact CB-O 3.31Å; P8-F555 HydrophobicContact CB-CD1 4.22Å; P8-F555 HydrophobicContact CB-CE1 3.71Å; P8-F555 HydrophobicContact CB-CE2 4.35Å; P8-F555 HydrophobicContact CB-CZ 3.76Å; P8-F555 HydrophobicContact CG-CE1 4.38Å; P8-F555 HydrophobicContact CG-CZ 4.34Å | ||
| 9 | I | 83.4 | Confident | 70 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -65.8 | -41 | 176.4 | -66.4 | 161.3 | 0 | 0 | 0 | 109 | S7 S554 W556 | S7-I9 PolarHBondContact O-N 3.44Å; I9-S554 PolarHBondContact N-O 3.05Å; I9-W556 WeakPolarHBondContact CD1-O 3.4Å |
| 10 | T | 85.2 | Confident | 70.2 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 8% | 0.08 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.6 | 174 | -55 | 0 | 0 | 0 | 0 | 110 | P8 V12 S554 E581 Q584 | P8-T10 VanDerWaalsContact C-N 3.28Å; T10-V12 HydrophobicContact CG2-CG2 3.9Å; T10-S554 PolarHBondContact N-O 2.89Å; T10-S554 PolarHBondContact O-N 3.12Å; T10-E581 WeakPolarHBondContact CB-OE1 3.35Å; T10-E581 PolarHBondContact OG1-OE1 3.18Å; T10-Q584 HydrophobicContact CG2-CB 4.02Å; T10-Q584 HydrophobicContact CG2-CG 4.22Å |
| 11 | S | 87.1 | Confident | 70.1 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 108.6 | 173.4 | 168.1 | 0 | 0 | 0 | 0 | 109.2 | F552 | S11-F552 WeakPolarHBondContact CA-O 3.37Å |
| 12 | V | 87.2 | Confident | 71.4 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.085 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.2 | 176.5 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | T10 K57 I59 F552 | T10-V12 HydrophobicContact CG2-CG2 3.9Å; V12-K57 WeakPolarHBondContact CG1-O 3.5Å; V12-I59 HydrophobicContact CB-CB 4.15Å; V12-I59 HydrophobicContact CB-CD1 4.02Å; V12-I59 HydrophobicContact CB-CG2 4.09Å; V12-I59 HydrophobicContact CG1-CB 3.8Å; V12-I59 HydrophobicContact CG1-CG2 3.59Å; V12-I59 HydrophobicContact CG2-CD1 4.15Å; V12-F552 PolarHBondContact N-O 2.74Å; V12-F552 PolarHBondContact O-N 2.84Å |
| 13 | V | 86.2 | Confident | 72.8 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.6 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 110 | R549 V550 | V13-R549 HydrophobicContact CG1-CB 3.73Å; V13-R549 HydrophobicContact CG1-CG 4.01Å; V13-V550 WeakPolarHBondContact CA-O 3.36Å |
| 14 | L | 87.4 | Confident | 73.8 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.4 | 176.2 | -172.1 | 144.4 | 0 | 0 | 0 | 110 | V16 L45 A60 R549 V550 F552 | L14-V16 HydrophobicContact CD2-CG2 4.12Å; L14-L45 HydrophobicContact CD2-CD1 4.15Å; L14-L45 HydrophobicContact CD2-CD2 4.01Å; L14-A60 HydrophobicContact CD1-CB 4.31Å; L14-A60 WeakPolarHBondContact CD1-O 3.28Å; L14-R549 CarbonylContact O-C 3.57Å; L14-R549 VanDerWaalsContact O-CA 3.31Å; L14-R549 WeakPolarHBondContact O-CA 3.2Å; L14-V550 PolarHBondContact N-O 3.16Å; L14-V550 PolarHBondContact O-N 3.4Å; L14-F552 HydrophobicContact CB-CE2 4.28Å |
| 15 | S | 84.3 | Confident | 75.2 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.6 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 16 | V | 81.9 | Confident | 76.8 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -106.3 | 130.5 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L14 I36 T38 Y43 S547 P548 V550 | L14-V16 HydrophobicContact CD2-CG2 4.12Å; V16-I36 HydrophobicContact CG1-CG2 4.23Å; V16-I36 HydrophobicContact CG2-CD1 3.82Å; V16-T38 HydrophobicContact CG1-CG2 4.19Å; V16-Y43 HydrophobicContact CG1-CD2 3.75Å; V16-Y43 HydrophobicContact CG1-CE2 3.99Å; V16-S547 WeakPolarHBondContact O-CB 3.45Å; V16-P548 PolarHBondContact N-O 3.2Å; V16-V550 HydrophobicContact CG2-CG2 3.79Å | ||
| 17 | K | 77.5 | Confident | 77.8 | Confident | 174 Ų | 174 | 45 Ų | 45 | 76% | 0.757 | 26% | 0.264 | S | S | * | . | trans | -82 | 130.4 | 174.6 | -65.5 | -178.5 | -179.8 | 178.2 | 0 | 109.2 | Y43 | K17-Y43 VanDerWaalsContact O-CE2 3.29Å; K17-Y43 WeakPolarHBondContact O-CE2 3.46Å | ||
| 18 | G | 72.3 | Confident | 78.6 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 117.6 | 164.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 19 | H | 73.9 | Confident | 79 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 38% | 0.375 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -84 | 127.9 | 175.8 | -67.8 | -69.3 | 0 | 0 | 0 | 110.4 | T38 T39 | H19-T38 CarbonylContact O-C 3.51Å; H19-T38 WeakPolarHBondContact O-CA 3.41Å; H19-T38 VanDerWaalsContact O-CB 3.27Å; H19-T38 WeakPolarHBondContact O-CB 2.99Å; H19-T39 HydrophobicContact CB-CG2 4.17Å; H19-T39 PolarHBondContact O-N 3.1Å; H19-T39 PolarHBondContact O-OG1 3.4Å |
| 20 | I | 74.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 139.1 | 176.9 | -66.7 | 156.7 | 0 | 0 | 0 | 110.6 | T22 L528 K530 P548 | I20-T22 PolarHBondContact O-N 3.34Å; I20-L528 HydrophobicContact CB-CD2 4.47Å; I20-L528 HydrophobicContact CD1-CD1 3.87Å; I20-L528 HydrophobicContact CD1-CD2 3.28Å; I20-L528 HydrophobicContact CD1-CG 3.56Å; I20-L528 HydrophobicContact CG1-CD2 3.8Å; I20-L528 HydrophobicContact CG1-CG 4.5Å; I20-L528 HydrophobicContact CG2-CD2 3.85Å; I20-K530 HydrophobicContact CB-CD 4.1Å; I20-K530 HydrophobicContact CD1-CB 3.56Å; I20-K530 HydrophobicContact CD1-CD 3.77Å; I20-K530 HydrophobicContact CD1-CG 4.27Å; I20-K530 HydrophobicContact CG2-CD 4.32Å; I20-P548 HydrophobicContact CD1-CB 3.13Å; I20-P548 HydrophobicContact CD1-CG 3.38Å; I20-P548 HydrophobicContact CG1-CB 3.94Å; I20-P548 HydrophobicContact CG1-CG 3.79Å |
| 21 | C | 67.4 | Low | 79.3 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 122.5 | 166.8 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | T23 G24 S37 T38 A122 M145 | C21-T23 PolarHBondContact O-N 3.47Å; C21-G24 PolarHBondContact O-N 3.26Å; C21-S37 PolarHBondContact N-O 3.07Å; C21-S37 VanDerWaalsContact N-O 3.16Å; C21-T38 VanDerWaalsContact SG-C 3.57Å; C21-A122 PolarHBondContact SG-O 3.2Å; C21-M145 VanDerWaalsContact SG-SD 3.69Å |
| 22 | T | 57.3 | Low | 79.4 | Confident | 103 Ų | 103 | 39.5 Ų | 39.5 | 63% | 0.632 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.7 | -169.4 | 49.4 | 0 | 0 | 0 | 0 | 115.3 | I20 | I20-T22 PolarHBondContact O-N 3.34Š|
| 23 | T | 57.9 | Low | 79.6 | Confident | 66 Ų | 66 | 40 Ų | 40 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -17.4 | -179.5 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | C21 R123 | C21-T23 PolarHBondContact O-N 3.47Å; T23-R123 PolarHBondContact OG1-O 3.46Å |
| 24 | G | 59.3 | Low | 79.9 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -19 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C21 V27 | C21-G24 PolarHBondContact O-N 3.26Å; G24-V27 WeakPolarHBondContact O-CG2 3.27Å |
| 25 | G | 74.7 | Confident | 80.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | trans | 40 | -154 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 26 | C | 86.8 | Confident | 80.5 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.1 | 159.7 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | I34 A35 H514 G515 F527 L528 | C26-I34 HydrophobicContact CB-CG2 3.74Å; C26-A35 WeakPolarHBondContact CA-O 3.31Å; C26-H514 PolarHBondContact N-O 3.19Å; C26-H514 PolarHBondContact SG-O 3.34Å; C26-G515 VanDerWaalsContact SG-C 3.57Å; C26-F527 VanDerWaalsContact SG-CA 3.56Å; C26-L528 HydrophobicContact CB-CB 4.11Å |
| 27 | V | 90.6 | Very high | 80.7 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 26% | 0.261 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.4 | 178 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | G24 A35 W127 | G24-V27 WeakPolarHBondContact O-CG2 3.27Å; V27-A35 PolarHBondContact N-O 2.96Å; V27-A35 PolarHBondContact O-N 3Å; V27-W127 PolarHBondContact O-NE1 3.4Å |
| 28 | G | 92 | Very high | 81 | Confident | 25 Ų | 25 | 23.9 Ų | 23.9 | 26% | 0.258 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 145.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K33 S517 | G28-K33 CarbonylContact C-O 3.53Å; G28-K33 WeakPolarHBondContact CA-O 3.49Å; G28-S517 WeakPolarHBondContact CA-OG 3.35Å |
| 29 | S | 92.7 | Very high | 81.1 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | trans | -100.1 | 165.7 | 170.9 | 84.5 | 0 | 0 | 0 | 0 | 111.4 | E31 D32 K33 W127 | S29-E31 PolarHBondContact O-N 3.19Å; S29-E31 VanDerWaalsContact O-N 3.13Å; S29-E31 PolarHBondContact OG-N 3.32Å; S29-D32 PolarHBondContact O-N 3.29Å; S29-K33 PolarHBondContact N-O 3.21Å; S29-K33 WeakPolarHBondContact OG-CB 3.43Å; S29-K33 PolarHBondContact OG-N 2.83Å; S29-K33 VanDerWaalsContact OG-N 3.16Å; S29-K33 PolarHBondContact OG-O 3.4Å; S29-W127 VanDerWaalsContact CB-CG 3.43Å | ||
| 30 | S | 87.8 | Confident | 81.4 | Confident | 42 Ų | 42 | 25.8 Ų | 25.8 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 11.5 | 170.7 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | R130 C138 T520 | S30-R130 WeakPolarHBondContact OG-CB 3.19Å; S30-R130 PolarHBondContact OG-N 3.36Å; S30-C138 PolarHBondContact OG-SG 3.45Å; S30-T520 VanDerWaalsContact O-CG2 3.31Å; S30-T520 WeakPolarHBondContact O-CG2 3.39Å |
| 31 | E | 86.2 | Confident | 81.8 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 22 | 170.9 | -68.9 | -171.9 | 153.2 | 0 | 0 | 112.2 | S29 K33 R130 R137 C138 | S29-E31 PolarHBondContact O-N 3.19Å; S29-E31 VanDerWaalsContact O-N 3.13Å; S29-E31 PolarHBondContact OG-N 3.32Å; E31-K33 HydrophobicContact CB-CG 4.48Å; E31-K33 PolarHBondContact O-N 3.26Å; E31-K33 VanDerWaalsContact O-N 3.12Å; E31-K33 IonicContact OE2-NZ 3.91Å; E31-K33 PolarHBondContact OE2-NZ 3.46Å; E31-R130 HydrophobicContact CG-CG 4.27Å; E31-R130 IonicContact OE1-NE 3.97Å; E31-R137 WeakPolarHBondContact OE1-CA 3.19Å; E31-R137 WeakPolarHBondContact OE1-CB 3.48Å; E31-R137 WeakPolarHBondContact OE1-CG 3.45Å; E31-C138 HydrophobicContact CG-CB 4.45Å; E31-C138 PolarHBondContact OE1-N 2.65Å |
| 32 | D | 89.4 | Confident | 82.8 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 60.6 | 25.1 | 178.8 | -56.6 | -42.8 | 0 | 0 | 0 | 113.9 | S29 F47 S519 T520 | S29-D32 PolarHBondContact O-N 3.29Å; D32-F47 HydrophobicContact CB-CD2 3.75Å; D32-F47 HydrophobicContact CB-CE2 3.76Å; D32-S519 VanDerWaalsContact OD1-CA 3.24Å; D32-S519 WeakPolarHBondContact OD1-CA 3.21Å; D32-S519 WeakPolarHBondContact OD1-CB 3.41Å; D32-T520 WeakPolarHBondContact OD1-CG2 3.47Å; D32-T520 PolarHBondContact OD1-N 3.02Å; D32-T520 PolarHBondContact OD1-OG1 3.05Å; D32-T520 PolarHBondContact OD2-OG1 3.21Å |
| 33 | K | 91.4 | Very high | 84.4 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 11% | 0.109 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 143.6 | 171.8 | -60 | 177.2 | -179 | 144.3 | 0 | 109.8 | G28 S29 E31 I44 L45 W127 W160 | G28-K33 CarbonylContact C-O 3.53Å; G28-K33 WeakPolarHBondContact CA-O 3.49Å; S29-K33 PolarHBondContact N-O 3.21Å; S29-K33 WeakPolarHBondContact OG-CB 3.43Å; S29-K33 PolarHBondContact OG-N 2.83Å; S29-K33 VanDerWaalsContact OG-N 3.16Å; S29-K33 PolarHBondContact OG-O 3.4Å; E31-K33 HydrophobicContact CB-CG 4.48Å; E31-K33 PolarHBondContact O-N 3.26Å; E31-K33 VanDerWaalsContact O-N 3.12Å; E31-K33 IonicContact OE2-NZ 3.91Å; E31-K33 PolarHBondContact OE2-NZ 3.46Å; K33-I44 HydrophobicContact CB-CG2 3.99Å; K33-I44 HydrophobicContact CD-CG2 4.24Å; K33-I44 HydrophobicContact CG-CG2 4.46Å; K33-L45 CarbonylContact C-O 3.58Å; K33-L45 VanDerWaalsContact CA-O 3.27Å; K33-L45 WeakPolarHBondContact CA-O 3.47Å; K33-W127 HydrophobicContact CB-CH2 4.48Å; K33-W127 HydrophobicContact CB-CZ2 4.29Å; K33-W160 HydrophobicContact CD-CZ2 4.29Å |
| 34 | I | 93 | Very high | 86 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.4 | -178.9 | -53.8 | 170.4 | 0 | 0 | 0 | 109.1 | C26 I36 I44 L45 C526 F552 | C26-I34 HydrophobicContact CB-CG2 3.74Å; I34-I36 HydrophobicContact CG2-CG1 4.27Å; I34-I44 CarbonylContact O-C 3.58Å; I34-I44 WeakPolarHBondContact O-CA 3.48Å; I34-L45 HydrophobicContact CB-CB 4.19Å; I34-L45 PolarHBondContact N-O 3.35Å; I34-L45 PolarHBondContact O-N 2.78Å; I34-C526 HydrophobicContact CD1-CB 3.61Å; I34-F552 HydrophobicContact CD1-CE1 3.53Å; I34-F552 HydrophobicContact CD1-CZ 3.8Å |
| 35 | A | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | C26 V27 L42 Y43 I44 V125 W127 | C26-A35 WeakPolarHBondContact CA-O 3.31Å; V27-A35 PolarHBondContact N-O 2.96Å; V27-A35 PolarHBondContact O-N 3Å; A35-L42 HydrophobicContact CB-CD1 4.32Å; A35-Y43 CarbonylContact C-O 3.51Å; A35-Y43 WeakPolarHBondContact CA-O 3.39Å; A35-I44 HydrophobicContact CB-CD1 3.68Å; A35-V125 HydrophobicContact CB-CB 4.08Å; A35-V125 HydrophobicContact CB-CG1 3.66Å; A35-V125 HydrophobicContact CB-CG2 4.46Å; A35-W127 HydrophobicContact CB-CZ2 3.84Å |
| 36 | I | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 109.1 | 179.1 | -55.7 | 173.3 | 0 | 0 | 0 | 108.9 | V16 I34 T38 L42 Y43 L45 L528 V550 | V16-I36 HydrophobicContact CG1-CG2 4.23Å; V16-I36 HydrophobicContact CG2-CD1 3.82Å; I34-I36 HydrophobicContact CG2-CG1 4.27Å; I36-T38 HydrophobicContact CG2-CG2 4.44Å; I36-L42 WeakPolarHBondContact O-CD1 3.36Å; I36-Y43 PolarHBondContact N-O 3.24Å; I36-Y43 PolarHBondContact O-N 3.44Å; I36-Y43 VanDerWaalsContact O-N 3.08Å; I36-L45 HydrophobicContact CD1-CD1 3.54Å; I36-L45 HydrophobicContact CD1-CD2 4.32Å; I36-L45 HydrophobicContact CD1-CG 3.77Å; I36-L528 HydrophobicContact CG2-CD1 4.27Å; I36-L528 HydrophobicContact CG2-CD2 4.36Å; I36-V550 HydrophobicContact CD1-CG2 3.25Å; I36-V550 HydrophobicContact CG1-CG2 4.43Å |
| 37 | S | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.7 | -177.3 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | C21 A122 | C21-S37 PolarHBondContact N-O 3.07Å; C21-S37 VanDerWaalsContact N-O 3.16Å; S37-A122 WeakPolarHBondContact CB-O 3.37Å |
| 38 | T | 82.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -110.9 | 165.4 | 171.9 | 79.8 | 0 | 0 | 0 | 0 | 110.8 | V16 H19 C21 I36 E40 K41 Y43 G121 A122 | V16-T38 HydrophobicContact CG1-CG2 4.19Å; H19-T38 CarbonylContact O-C 3.51Å; H19-T38 WeakPolarHBondContact O-CA 3.41Å; H19-T38 VanDerWaalsContact O-CB 3.27Å; H19-T38 WeakPolarHBondContact O-CB 2.99Å; C21-T38 VanDerWaalsContact SG-C 3.57Å; I36-T38 HydrophobicContact CG2-CG2 4.44Å; T38-E40 PolarHBondContact O-N 2.8Å; T38-E40 PolarHBondContact OG1-N 3.48Å; T38-K41 WeakPolarHBondContact CA-O 3.43Å; T38-K41 WeakPolarHBondContact CB-O 3.44Å; T38-K41 PolarHBondContact N-O 2.96Å; T38-K41 PolarHBondContact OG1-N 3.27Å; T38-K41 PolarHBondContact OG1-O 3.11Å; T38-Y43 HydrophobicContact CG2-CD2 3.86Å; T38-Y43 HydrophobicContact CG2-CE2 3.89Å; T38-G121 WeakPolarHBondContact O-CA 3.19Å; T38-A122 PolarHBondContact O-N 2.98Å |
| 39 | T | 76.4 | Confident | 87.5 | Confident | 26 Ų | 26 | 21.5 Ų | 21.5 | 16% | 0.16 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -67.7 | -14.4 | 178.5 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | H19 G121 | H19-T39 HydrophobicContact CB-CG2 4.17Å; H19-T39 PolarHBondContact O-N 3.1Å; H19-T39 PolarHBondContact O-OG1 3.4Å; T39-G121 VanDerWaalsContact C-CA 3.45Å; T39-G121 WeakPolarHBondContact O-CA 3.32Å; T39-G121 PolarHBondContact O-N 2.97Å |
| 40 | E | 78.4 | Confident | 86.6 | Confident | 115 Ų | 115 | 23 Ų | 23 | 54% | 0.537 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -116.7 | -32.6 | -175.3 | -64.2 | -178 | 176.3 | 0 | 0 | 113 | T38 N120 | T38-E40 PolarHBondContact O-N 2.8Å; T38-E40 PolarHBondContact OG1-N 3.48Å; E40-N120 CarbonylContact C-O 3.52Å; E40-N120 CarbonylContact O-C 3.59Å; E40-N120 VanDerWaalsContact O-CB 3.3Å; E40-N120 WeakPolarHBondContact O-CB 3.37Å |
| 41 | K | 83.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 22.6 Ų | 22.6 | 30% | 0.296 | 11% | 0.114 | S | C | . | . | trans | -149.5 | 161.1 | -171.2 | -65.2 | 179.3 | 171.6 | -146.4 | 0 | 111.3 | T38 Y43 E64 | T38-K41 WeakPolarHBondContact CA-O 3.43Å; T38-K41 WeakPolarHBondContact CB-O 3.44Å; T38-K41 PolarHBondContact N-O 2.96Å; T38-K41 PolarHBondContact OG1-N 3.27Å; T38-K41 PolarHBondContact OG1-O 3.11Å; K41-Y43 HydrophobicContact CB-CE2 4.05Å; K41-Y43 WeakPolarHBondContact CD-OH 3.29Å; K41-E64 VanDerWaalsContact CD-CD 3.48Å; K41-E64 HydrophobicContact CD-CG 4.3Å; K41-E64 WeakPolarHBondContact CD-OE1 3.45Å; K41-E64 WeakPolarHBondContact CE-OE1 3.42Å; K41-E64 IonicContact NZ-OE1 3.85Å; K41-E64 PolarHBondContact NZ-OE1 3.41Å; K41-E64 IonicContact NZ-OE2 3.54Å; K41-E64 PolarHBondContact NZ-OE2 3.32Å | ||
| 42 | L | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.7 | 164.5 | 172.7 | 63.6 | 0 | 0 | 0 | 109 | A35 I36 I44 V65 F67 A122 V125 M140 L142 | A35-L42 HydrophobicContact CB-CD1 4.32Å; I36-L42 WeakPolarHBondContact O-CD1 3.36Å; L42-I44 HydrophobicContact CD1-CD1 4.27Å; L42-I44 HydrophobicContact CD2-CD1 4.25Å; L42-I44 HydrophobicContact CG-CD1 4.13Å; L42-V65 HydrophobicContact CB-CB 4.06Å; L42-V65 HydrophobicContact CB-CG2 4.34Å; L42-V65 HydrophobicContact CD2-CB 3.96Å; L42-V65 HydrophobicContact CD2-CG1 4.14Å; L42-V65 HydrophobicContact CD2-CG2 3.83Å; L42-V65 HydrophobicContact CG-CB 4.11Å; L42-V65 HydrophobicContact CG-CG2 3.89Å; L42-V65 PolarHBondContact O-N 3.46Å; L42-F67 HydrophobicContact CB-CE1 3.81Å; L42-A122 HydrophobicContact CB-CB 4.08Å; L42-A122 HydrophobicContact CD1-CB 4.23Å; L42-V125 HydrophobicContact CD1-CG2 3.73Å; L42-V125 HydrophobicContact CD2-CG2 3.95Å; L42-M140 HydrophobicContact CD2-CE 4.02Å; L42-M140 HydrophobicContact CD2-SD 4.16Å; L42-L142 HydrophobicContact CD2-CD1 4.13Å; L42-L142 HydrophobicContact CD2-CD2 4.11Å |
| 43 | Y | 89.5 | Confident | 82.4 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.2 | 173.7 | -62.4 | -75.1 | 0 | 0 | 0 | 110.4 | V16 K17 A35 I36 T38 K41 A62 Q63 | V16-Y43 HydrophobicContact CG1-CD2 3.75Å; V16-Y43 HydrophobicContact CG1-CE2 3.99Å; K17-Y43 VanDerWaalsContact O-CE2 3.29Å; K17-Y43 WeakPolarHBondContact O-CE2 3.46Å; A35-Y43 CarbonylContact C-O 3.51Å; A35-Y43 WeakPolarHBondContact CA-O 3.39Å; I36-Y43 PolarHBondContact N-O 3.24Å; I36-Y43 PolarHBondContact O-N 3.44Å; I36-Y43 VanDerWaalsContact O-N 3.08Å; T38-Y43 HydrophobicContact CG2-CD2 3.86Å; T38-Y43 HydrophobicContact CG2-CE2 3.89Å; K41-Y43 HydrophobicContact CB-CE2 4.05Å; K41-Y43 WeakPolarHBondContact CD-OH 3.29Å; Y43-A62 HydrophobicContact CD1-CB 4.49Å; Y43-Q63 CarbonylContact C-O 3.57Å; Y43-Q63 WeakPolarHBondContact CA-O 3.43Å |
| 44 | I | 91.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.6 | 168.9 | -54.2 | -55.2 | 0 | 0 | 0 | 107.9 | K33 I34 A35 L42 Q63 V65 W127 M140 W160 | K33-I44 HydrophobicContact CB-CG2 3.99Å; K33-I44 HydrophobicContact CD-CG2 4.24Å; K33-I44 HydrophobicContact CG-CG2 4.46Å; I34-I44 CarbonylContact O-C 3.58Å; I34-I44 WeakPolarHBondContact O-CA 3.48Å; A35-I44 HydrophobicContact CB-CD1 3.68Å; L42-I44 HydrophobicContact CD1-CD1 4.27Å; L42-I44 HydrophobicContact CD2-CD1 4.25Å; L42-I44 HydrophobicContact CG-CD1 4.13Å; I44-Q63 PolarHBondContact N-O 3.01Å; I44-Q63 PolarHBondContact O-N 2.87Å; I44-V65 HydrophobicContact CD1-CG2 4.19Å; I44-V65 HydrophobicContact CG1-CG2 3.49Å; I44-V65 VanDerWaalsContact CG1-CG2 3.49Å; I44-W127 HydrophobicContact CD1-CH2 3.95Å; I44-W127 HydrophobicContact CD1-CZ2 3.83Å; I44-W127 HydrophobicContact CG2-CH2 4.27Å; I44-W127 HydrophobicContact CG2-CZ2 4.39Å; I44-M140 HydrophobicContact CD1-SD 4.19Å; I44-W160 HydrophobicContact CG2-CZ2 4.36Å |
| 45 | L | 91.4 | Very high | 78 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.3 | 172.1 | -51.1 | -173 | 0 | 0 | 0 | 109.3 | L14 K33 I34 I36 A60 I61 A62 V550 F552 | L14-L45 HydrophobicContact CD2-CD1 4.15Å; L14-L45 HydrophobicContact CD2-CD2 4.01Å; K33-L45 CarbonylContact C-O 3.58Å; K33-L45 VanDerWaalsContact CA-O 3.27Å; K33-L45 WeakPolarHBondContact CA-O 3.47Å; I34-L45 HydrophobicContact CB-CB 4.19Å; I34-L45 PolarHBondContact N-O 3.35Å; I34-L45 PolarHBondContact O-N 2.78Å; I36-L45 HydrophobicContact CD1-CD1 3.54Å; I36-L45 HydrophobicContact CD1-CD2 4.32Å; I36-L45 HydrophobicContact CD1-CG 3.77Å; L45-A60 HydrophobicContact CB-CB 4.14Å; L45-I61 WeakPolarHBondContact CA-O 3.26Å; L45-A62 HydrophobicContact CD2-CB 3.45Å; L45-A62 VanDerWaalsContact CD2-CB 3.45Å; L45-V550 HydrophobicContact CD1-CB 4.17Å; L45-V550 HydrophobicContact CD1-CG1 4.04Å; L45-V550 HydrophobicContact CD1-CG2 3.96Å; L45-F552 HydrophobicContact CD1-CE2 4.31Å; L45-F552 HydrophobicContact CD1-CZ 3.97Å |
| 46 | S | 88.7 | Confident | 76.1 | Confident | 34 Ų | 34 | 51 Ų | 51 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.7 | 170.5 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | S48 A60 I61 | S46-S48 PolarHBondContact O-N 3.25Å; S46-A60 CarbonylContact O-C 3.55Å; S46-A60 WeakPolarHBondContact O-CA 3.18Å; S46-A60 WeakPolarHBondContact O-CB 3.47Å; S46-I61 PolarHBondContact N-O 3.43Å; S46-I61 PolarHBondContact O-N 2.8Å |
| 47 | F | 88.1 | Confident | 74.7 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 11% | 0.114 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 135.6 | 175.5 | -74.6 | -59.7 | 0 | 0 | 0 | 111.3 | D32 I59 Y524 F552 V576 D577 Q580 | D32-F47 HydrophobicContact CB-CD2 3.75Å; D32-F47 HydrophobicContact CB-CE2 3.76Å; F47-I59 HydrophobicContact CD1-CG1 3.91Å; F47-I59 HydrophobicContact CE1-CD1 4.11Å; F47-I59 HydrophobicContact CE1-CG1 3.83Å; F47-Y524 AromaticContact CE1-CD2 3.69Å; F47-Y524 HydrophobicContact CE1-CD2 3.69Å; F47-Y524 AromaticContact CE1-CE2 3.84Å; F47-Y524 HydrophobicContact CE1-CE2 3.84Å; F47-Y524 HydrophobicContact CE1-CG 4.24Å; F47-Y524 HydrophobicContact CE2-CD2 4.21Å; F47-Y524 AromaticContact CZ-CD2 3.39Å; F47-Y524 HydrophobicContact CZ-CD2 3.39Å; F47-Y524 AromaticContact CZ-CE2 3.98Å; F47-Y524 HydrophobicContact CZ-CE2 3.98Å; F47-Y524 AromaticContact CZ-CG 3.94Å; F47-Y524 HydrophobicContact CZ-CG 3.94Å; F47-F552 AromaticContact CE1-CD1 3.7Å; F47-F552 HydrophobicContact CE1-CD1 3.7Å; F47-F552 AromaticContact CE1-CE1 3.72Å; F47-F552 HydrophobicContact CE1-CE1 3.72Å; F47-F552 HydrophobicContact CZ-CD1 4.07Å; F47-F552 HydrophobicContact CZ-CE1 4.07Å; F47-V576 HydrophobicContact CB-CG1 3.81Å; F47-D577 HydrophobicContact CD2-CB 4.28Å; F47-D577 HydrophobicContact CE2-CB 3.89Å; F47-D577 HydrophobicContact CZ-CB 4.46Å; F47-Q580 HydrophobicContact CD1-CB 4.36Å; F47-Q580 HydrophobicContact CD1-CG 3.96Å |
| 48 | S | 83.6 | Confident | 74.2 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | trans | -110.3 | 103 | -174.2 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | S46 S50 I59 I61 Q580 | S46-S48 PolarHBondContact O-N 3.25Å; S48-S50 PolarHBondContact O-N 3.36Å; S48-S50 VanDerWaalsContact O-N 3.11Å; S48-S50 PolarHBondContact OG-N 3.48Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S48-S50 VanDerWaalsContact OG-OG 3.05Å; S48-I59 PolarHBondContact N-O 3.29Å; S48-I61 WeakPolarHBondContact OG-CD1 3.34Å; S48-Q580 PolarHBondContact O-NE2 2.95Å; S48-Q580 PolarHBondContact O-OE1 2.67Å | ||
| 49 | L | 83.3 | Confident | 74.2 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | trans | -74.7 | 11.6 | 170.8 | -56.9 | 177.5 | 0 | 0 | 0 | 112.5 | H51 V576 L579 Q580 I583 F640 Q840 L871 | L49-H51 PolarHBondContact O-CE1 3.46Å; L49-H51 VanDerWaalsContact O-CE1 3.22Å; L49-H51 PolarHBondContact O-N 2.92Å; L49-H51 PolarHBondContact O-ND1 3.46Å; L49-V576 HydrophobicContact CD1-CG1 4.23Å; L49-V576 HydrophobicContact CD2-CG1 4.25Å; L49-V576 HydrophobicContact CG-CG1 4.18Å; L49-L579 HydrophobicContact CD1-CD1 4.21Å; L49-L579 HydrophobicContact CD2-CB 3.74Å; L49-Q580 HydrophobicContact CD2-CB 4.42Å; L49-I583 HydrophobicContact CD2-CD1 4.11Å; L49-F640 HydrophobicContact CB-CE2 4.46Å; L49-F640 HydrophobicContact CD1-CE2 4.32Å; L49-F640 HydrophobicContact CD2-CE2 4.27Å; L49-F640 HydrophobicContact CD2-CZ 4.38Å; L49-Q840 PolarHBondContact O-OE1 3.34Å; L49-L871 HydrophobicContact CD1-CD1 3.87Å; L49-L871 HydrophobicContact CD1-CD2 3.91Å | ||
| 50 | S | 74.3 | Confident | 74.7 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -68 | 126.4 | -177.9 | 69.5 | 0 | 0 | 0 | 0 | 110.1 | S48 | S48-S50 PolarHBondContact O-N 3.36Å; S48-S50 VanDerWaalsContact O-N 3.11Å; S48-S50 PolarHBondContact OG-N 3.48Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S48-S50 VanDerWaalsContact OG-OG 3.05Å | ||
| 51 | H | 66.9 | Low | 75 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | trans | -89.5 | -6.4 | 178.8 | -58.5 | 26.6 | 0 | 0 | 0 | 111.9 | L49 F640 K647 Q840 | L49-H51 PolarHBondContact O-CE1 3.46Å; L49-H51 VanDerWaalsContact O-CE1 3.22Å; L49-H51 PolarHBondContact O-N 2.92Å; L49-H51 PolarHBondContact O-ND1 3.46Å; H51-F640 AromaticContact CE1-CE2 3.89Å; H51-K647 HydrophobicContact CB-CD 3.86Å; H51-K647 VanDerWaalsContact CB-NZ 3.29Å; H51-K647 PolarHBondContact O-NZ 3.26Å; H51-Q840 PolarHBondContact CE1-NE2 3.5Å; H51-Q840 PolarHBondContact ND1-NE2 3.48Å | ||
| 52 | H | 55.1 | Low | 75.1 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 70% | 0.699 | 30% | 0.3 | S | S | * | . | trans | -75.3 | -23.1 | -163.4 | -74.2 | -72.9 | 0 | 0 | 0 | 115.4 | ||||
| 53 | D | 52.3 | Low | 74.9 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | trans | -87.9 | 123.6 | -177.4 | -70.6 | -25.2 | 0 | 0 | 0 | 109.4 | R55 K58 | D53-R55 PolarHBondContact O-N 2.7Å; D53-K58 WeakPolarHBondContact OD2-CD 3.48Å; D53-K58 IonicContact OD2-NZ 2.68Å; D53-K58 PolarHBondContact OD2-NZ 3.09Å | ||
| 54 | D | 47.2 | Very low | 74.8 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 91% | 0.909 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -58.7 | 9.3 | 169.1 | -75.4 | -30.9 | 0 | 0 | 0 | 113.7 | ||
| 55 | R | 46.7 | Very low | 74.5 | Confident | 193 Ų | 193 | 63 Ų | 63 | 73% | 0.728 | 32% | 0.316 | S | S | * | . | trans | -114.1 | 100.6 | 175.9 | -64.7 | -175.5 | -177.8 | -176.4 | 2.2 | 107.7 | D53 K57 K58 | D53-R55 PolarHBondContact O-N 2.7Å; R55-K57 PolarHBondContact O-N 3.48Å; R55-K58 PolarHBondContact O-N 2.82Å | ||
| 56 | P | 51.3 | Low | 74 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -13.4 | 167.2 | 17.8 | -30.6 | 0 | 0 | 0 | 113.2 | K58 Q584 | P56-K58 VanDerWaalsContact C-N 3.32Å; P56-K58 PolarHBondContact O-N 2.96Å; P56-Q584 VanDerWaalsContact O-CD 3.28Å; P56-Q584 PolarHBondContact O-NE2 2.87Å; P56-Q584 PolarHBondContact O-OE1 3.2Å |
| 57 | K | 61.8 | Low | 73.4 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 74% | 0.735 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.4 | -176.4 | -61.8 | -174 | 178 | -178.4 | 0 | 116.5 | V12 R55 I59 | V12-K57 WeakPolarHBondContact CG1-O 3.5Å; R55-K57 PolarHBondContact O-N 3.48Å; K57-I59 PolarHBondContact O-N 3.26Å; K57-I59 VanDerWaalsContact O-N 3.14Å |
| 58 | K | 75.3 | Confident | 72.7 | Confident | 90 Ų | 90 | 71.1 Ų | 71.1 | 39% | 0.391 | 36% | 0.357 | S | S | . | . | trans | -89.1 | 77.3 | -177.8 | -162.3 | -179.2 | -175.9 | -174.5 | 0 | 111.4 | D53 R55 P56 A60 | D53-K58 WeakPolarHBondContact OD2-CD 3.48Å; D53-K58 IonicContact OD2-NZ 2.68Å; D53-K58 PolarHBondContact OD2-NZ 3.09Å; R55-K58 PolarHBondContact O-N 2.82Å; P56-K58 VanDerWaalsContact C-N 3.32Å; P56-K58 PolarHBondContact O-N 2.96Å; K58-A60 VanDerWaalsContact C-N 3.32Å; K58-A60 PolarHBondContact O-N 3.44Å | ||
| 59 | I | 84 | Confident | 71.7 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | trans | -64.2 | -35.9 | -179.8 | -172.4 | 156.2 | 0 | 0 | 0 | 113.6 | V12 F47 S48 K57 Y524 F552 Q580 | V12-I59 HydrophobicContact CB-CB 4.15Å; V12-I59 HydrophobicContact CB-CD1 4.02Å; V12-I59 HydrophobicContact CB-CG2 4.09Å; V12-I59 HydrophobicContact CG1-CB 3.8Å; V12-I59 HydrophobicContact CG1-CG2 3.59Å; V12-I59 HydrophobicContact CG2-CD1 4.15Å; F47-I59 HydrophobicContact CD1-CG1 3.91Å; F47-I59 HydrophobicContact CE1-CD1 4.11Å; F47-I59 HydrophobicContact CE1-CG1 3.83Å; S48-I59 PolarHBondContact N-O 3.29Å; K57-I59 PolarHBondContact O-N 3.26Å; K57-I59 VanDerWaalsContact O-N 3.14Å; I59-Y524 HydrophobicContact CD1-CD1 4.14Å; I59-Y524 HydrophobicContact CD1-CE1 3.48Å; I59-Y524 VanDerWaalsContact CD1-CE1 3.48Å; I59-Y524 HydrophobicContact CD1-CE2 4.39Å; I59-F552 HydrophobicContact CD1-CB 3.45Å; I59-F552 VanDerWaalsContact CD1-CB 3.45Å; I59-F552 HydrophobicContact CD1-CD1 3.86Å; I59-F552 HydrophobicContact CD1-CD2 4.37Å; I59-F552 HydrophobicContact CD1-CG 3.66Å; I59-F552 HydrophobicContact CG1-CD1 4.26Å; I59-F552 HydrophobicContact CG1-CG 4.28Å; I59-F552 HydrophobicContact CG2-CD2 3.63Å; I59-F552 HydrophobicContact CG2-CE2 3.77Å; I59-F552 HydrophobicContact CG2-CG 4.04Å; I59-F552 HydrophobicContact CG2-CZ 4.29Å; I59-Q580 HydrophobicContact CG1-CG 4Å; I59-Q580 PolarHBondContact O-NE2 3.43Å | ||
| 60 | A | 86.5 | Confident | 70.9 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 151.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L14 L45 S46 K58 F552 | L14-A60 HydrophobicContact CD1-CB 4.31Å; L14-A60 WeakPolarHBondContact CD1-O 3.28Å; L45-A60 HydrophobicContact CB-CB 4.14Å; S46-A60 CarbonylContact O-C 3.55Å; S46-A60 WeakPolarHBondContact O-CA 3.18Å; S46-A60 WeakPolarHBondContact O-CB 3.47Å; K58-A60 VanDerWaalsContact C-N 3.32Å; K58-A60 PolarHBondContact O-N 3.44Å; A60-F552 HydrophobicContact CB-CZ 4.06Å |
| 61 | I | 84.8 | Confident | 70.2 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.6 | 168.5 | -68.4 | 157.2 | 0 | 0 | 0 | 107.9 | L45 S46 S48 | L45-I61 WeakPolarHBondContact CA-O 3.26Å; S46-I61 PolarHBondContact N-O 3.43Å; S46-I61 PolarHBondContact O-N 2.8Å; S48-I61 WeakPolarHBondContact OG-CD1 3.34Å |
| 62 | A | 85.6 | Confident | 70.2 | Confident | 52 Ų | 52 | 84 Ų | 84 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y43 L45 | Y43-A62 HydrophobicContact CD1-CB 4.49Å; L45-A62 HydrophobicContact CD2-CB 3.45Å; L45-A62 VanDerWaalsContact CD2-CB 3.45Å |
| 63 | Q | 85.8 | Confident | 71.1 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.5 | 171.9 | -174.3 | -166.2 | -0.9 | 0 | 0 | 109 | Y43 I44 E158 W160 | Y43-Q63 CarbonylContact C-O 3.57Å; Y43-Q63 WeakPolarHBondContact CA-O 3.43Å; I44-Q63 PolarHBondContact N-O 3.01Å; I44-Q63 PolarHBondContact O-N 2.87Å; Q63-E158 PolarHBondContact NE2-O 3.02Å; Q63-W160 VanDerWaalsContact OE1-NE1 3.1Å |
| 64 | E | 86.7 | Confident | 72.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.4 | 171.5 | -176 | 169.6 | 171.7 | 0 | 0 | 110.3 | K41 | K41-E64 VanDerWaalsContact CD-CD 3.48Å; K41-E64 HydrophobicContact CD-CG 4.3Å; K41-E64 WeakPolarHBondContact CD-OE1 3.45Å; K41-E64 WeakPolarHBondContact CE-OE1 3.42Å; K41-E64 IonicContact NZ-OE1 3.85Å; K41-E64 PolarHBondContact NZ-OE1 3.41Å; K41-E64 IonicContact NZ-OE2 3.54Å; K41-E64 PolarHBondContact NZ-OE2 3.32Å |
| 65 | V | 85.6 | Confident | 74 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.4 | 172.6 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | L42 I44 F67 M140 W160 | L42-V65 HydrophobicContact CB-CB 4.06Å; L42-V65 HydrophobicContact CB-CG2 4.34Å; L42-V65 HydrophobicContact CD2-CB 3.96Å; L42-V65 HydrophobicContact CD2-CG1 4.14Å; L42-V65 HydrophobicContact CD2-CG2 3.83Å; L42-V65 HydrophobicContact CG-CB 4.11Å; L42-V65 HydrophobicContact CG-CG2 3.89Å; L42-V65 PolarHBondContact O-N 3.46Å; I44-V65 HydrophobicContact CD1-CG2 4.19Å; I44-V65 HydrophobicContact CG1-CG2 3.49Å; I44-V65 VanDerWaalsContact CG1-CG2 3.49Å; V65-F67 HydrophobicContact CB-CD1 4.46Å; V65-F67 HydrophobicContact CG1-CD1 4.01Å; V65-F67 VanDerWaalsContact O-CD1 3.28Å; V65-F67 WeakPolarHBondContact O-CD1 3.18Å; V65-F67 WeakPolarHBondContact O-CE1 3.49Å; V65-M140 HydrophobicContact CB-CE 4.48Å; V65-M140 HydrophobicContact CG1-CE 3.66Å; V65-M140 HydrophobicContact CG2-CE 4.06Å; V65-W160 HydrophobicContact CG1-CB 3.8Å; V65-W160 HydrophobicContact CG1-CG 4.32Å; V65-W160 HydrophobicContact CG2-CB 4.33Å; V65-W160 HydrophobicContact CG2-CG 4Å |
| 66 | D | 81 | Confident | 75.8 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 66% | 0.663 | 33% | 0.332 | S | S | * | . | trans | -81.6 | 128.6 | 171 | -64.4 | -45.6 | 0 | 0 | 0 | 109.7 | ||||
| 67 | F | 76.2 | Confident | 77.1 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | trans | -144.1 | 152.6 | 173.2 | 51 | -89.9 | 0 | 0 | 0 | 110.1 | L42 V65 T69 N120 A122 L142 T144 E162 | L42-F67 HydrophobicContact CB-CE1 3.81Å; V65-F67 HydrophobicContact CB-CD1 4.46Å; V65-F67 HydrophobicContact CG1-CD1 4.01Å; V65-F67 VanDerWaalsContact O-CD1 3.28Å; V65-F67 WeakPolarHBondContact O-CD1 3.18Å; V65-F67 WeakPolarHBondContact O-CE1 3.49Å; F67-T69 HydrophobicContact CE2-CG2 4.4Å; F67-N120 VanDerWaalsContact CE2-O 3.24Å; F67-N120 WeakPolarHBondContact CE2-O 3.4Å; F67-N120 WeakPolarHBondContact CZ-O 3.42Å; F67-A122 HydrophobicContact CZ-CB 4.44Å; F67-L142 HydrophobicContact CB-CD2 4.38Å; F67-L142 HydrophobicContact CD1-CD2 3.64Å; F67-L142 HydrophobicContact CD2-CD2 4.39Å; F67-L142 HydrophobicContact CE1-CD2 3.92Å; F67-L142 HydrophobicContact CG-CD2 3.89Å; F67-L142 HydrophobicContact CZ-CD2 4.37Å; F67-T144 HydrophobicContact CD2-CG2 3.71Å; F67-T144 HydrophobicContact CE2-CG2 3.74Å; F67-E162 WeakPolarHBondContact CA-OE1 3.35Å; F67-E162 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 68 | I | 72.2 | Confident | 78 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 45% | 0.451 | 29% | 0.292 | S | S | . | . | trans | -88.7 | 117.2 | -176.1 | -61 | 175.7 | 0 | 0 | 0 | 108.9 | R70 R148 E162 | I68-R70 HydrophobicContact CG2-CB 4.21Å; I68-R70 HydrophobicContact CG2-CG 3.59Å; I68-R70 PolarHBondContact O-N 3.45Å; I68-R70 VanDerWaalsContact O-N 3.14Å; I68-R148 PolarHBondContact O-NH1 3.49Å; I68-E162 PolarHBondContact N-OE1 2.9Å | ||
| 69 | T | 64.1 | Low | 77.9 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -77.8 | 96.2 | 167.3 | 51.4 | 0 | 0 | 0 | 0 | 110 | F67 N120 | F67-T69 HydrophobicContact CE2-CG2 4.4Å; T69-N120 HydrophobicContact CG2-CB 4.33Å; T69-N120 WeakPolarHBondContact CG2-OD1 3.31Å; T69-N120 PolarHBondContact OG1-OD1 3.07Å; T69-N120 VanDerWaalsContact OG1-OD1 3.07Å | ||
| 70 | R | 65.8 | Low | 77.2 | Confident | 153 Ų | 153 | 62.7 Ų | 62.7 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | trans | -136.7 | 97.4 | 169.6 | -76.7 | 176.3 | -169.4 | -175.9 | 2.4 | 109 | I68 F72 R148 | I68-R70 HydrophobicContact CG2-CB 4.21Å; I68-R70 HydrophobicContact CG2-CG 3.59Å; I68-R70 PolarHBondContact O-N 3.45Å; I68-R70 VanDerWaalsContact O-N 3.14Å; R70-F72 HydrophobicContact CB-CD2 4.12Å; R70-F72 HydrophobicContact CB-CE2 3.75Å; R70-F72 HydrophobicContact CG-CE2 4.21Å; R70-F72 PolarHBondContact O-N 3.08Å; R70-R148 WeakPolarHBondContact O-CD 3.35Å | ||
| 71 | G | 60.3 | Low | 76.1 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | trans | -76.6 | 108.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E146 | G71-E146 PolarHBondContact N-OE2 2.77Š| ||
| 72 | F | 66.2 | Low | 74.9 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | trans | -107.7 | 128.2 | 162.1 | -66.7 | -79.8 | 0 | 0 | 0 | 108.4 | R70 Q171 | R70-F72 HydrophobicContact CB-CD2 4.12Å; R70-F72 HydrophobicContact CB-CE2 3.75Å; R70-F72 HydrophobicContact CG-CE2 4.21Å; R70-F72 PolarHBondContact O-N 3.08Å; F72-Q171 PolarHBondContact O-NE2 3.07Å; F72-Q171 PolarHBondContact O-OE1 3.14Å | ||
| 73 | L | 74.6 | Confident | 73.6 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | trans | -113.7 | 125.9 | 174.4 | -81.3 | 153 | 0 | 0 | 0 | 108.1 | I75 I104 V222 | L73-I75 PolarHBondContact O-N 3.13Å; L73-I104 HydrophobicContact CD1-CD1 3.67Å; L73-I104 HydrophobicContact CD1-CG1 3.81Å; L73-I104 HydrophobicContact CD1-CG2 3.92Å; L73-V222 HydrophobicContact CD2-CG2 3.82Å | ||
| 74 | R | 77.9 | Confident | 72.3 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | trans | -92.8 | 30 | 173.8 | -62.5 | -166.8 | -169.6 | -111.8 | -9 | 113.1 | V175 C201 I204 S206 L207 | R74-V175 HydrophobicContact CB-CG2 4.25Å; R74-C201 PolarHBondContact NH1-O 2.95Å; R74-C201 PolarHBondContact NH2-O 3.02Å; R74-I204 VanDerWaalsContact NH1-CB 3.26Å; R74-I204 PolarHBondContact NH1-O 3.17Å; R74-S206 CarbonylContact O-C 3.52Å; R74-S206 WeakPolarHBondContact O-CA 3.33Å; R74-L207 PolarHBondContact O-N 3.49Å | ||
| 75 | I | 82.7 | Confident | 70.6 | Confident | 7 Ų | 7 | 74.1 Ų | 74.1 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.9 | 177.8 | -60.5 | 165.3 | 0 | 0 | 0 | 105.5 | L73 Y215 A218 I219 V222 | L73-I75 PolarHBondContact O-N 3.13Å; I75-Y215 HydrophobicContact CG2-CD2 3.77Å; I75-Y215 HydrophobicContact CG2-CE2 4.03Å; I75-Y215 WeakPolarHBondContact O-CE2 3.41Å; I75-A218 HydrophobicContact CD1-CB 3.86Å; I75-A218 VanDerWaalsContact CD1-O 3.31Å; I75-A218 WeakPolarHBondContact CD1-O 3.29Å; I75-A218 HydrophobicContact CG1-CB 4.44Å; I75-A218 HydrophobicContact CG2-CB 3.85Å; I75-I219 HydrophobicContact CG2-CG1 4.48Å; I75-V222 HydrophobicContact CD1-CB 4.41Å; I75-V222 HydrophobicContact CD1-CG1 3.89Å; I75-V222 HydrophobicContact CD1-CG2 3.61Å |
| 76 | E | 84 | Confident | 69 | Low | 98 Ų | 98 | 76.1 Ų | 76.1 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 146 | -176.4 | -69.9 | 175 | -156.7 | 0 | 0 | 109.2 | S206 L207 I208 C209 | E76-S206 VanDerWaalsContact CD-CB 3.48Å; E76-S206 WeakPolarHBondContact OE1-CB 3.34Å; E76-S206 PolarHBondContact OE1-OG 3.44Å; E76-L207 PolarHBondContact N-O 3.45Å; E76-I208 WeakPolarHBondContact O-CA 3.33Å; E76-C209 PolarHBondContact O-N 3.44Å |
| 77 | L | 78.5 | Confident | 67.6 | Low | 22 Ų | 22 | 79.6 Ų | 79.6 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136 | 168.9 | -172.4 | 67.5 | 0 | 0 | 0 | 108.2 | N79 C81 M82 C209 I212 Y215 | L77-N79 PolarHBondContact O-N 3.24Å; L77-C81 HydrophobicContact CD1-CB 4.33Å; L77-C81 HydrophobicContact CD2-CB 4.32Å; L77-C81 HydrophobicContact CG-CB 4.13Å; L77-M82 HydrophobicContact CB-CG 4.3Å; L77-M82 HydrophobicContact CB-SD 4.44Å; L77-M82 HydrophobicContact CD2-CG 3.97Å; L77-M82 HydrophobicContact CD2-SD 3.69Å; L77-M82 HydrophobicContact CG-CG 4.27Å; L77-M82 HydrophobicContact CG-SD 4.49Å; L77-C209 HydrophobicContact CD1-CB 4.44Å; L77-I212 HydrophobicContact CD2-CG1 4.43Å; L77-Y215 HydrophobicContact CB-CD2 3.97Å; L77-Y215 HydrophobicContact CB-CE2 4.22Å; L77-Y215 HydrophobicContact CB-CG 4.23Å; L77-Y215 HydrophobicContact CD1-CG 4.18Å |
| 78 | D | 79.3 | Confident | 66.5 | Low | 52 Ų | 52 | 81.9 Ų | 81.9 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | trans | -52.8 | 131.7 | 176.5 | -170.8 | 1 | 0 | 0 | 0 | 110.9 | D80 C81 M82 I208 C209 | D78-D80 PolarHBondContact O-N 3.44Å; D78-D80 PolarHBondContact OD1-N 2.92Å; D78-C81 WeakPolarHBondContact O-CB 3.18Å; D78-C81 PolarHBondContact O-N 2.78Å; D78-M82 PolarHBondContact O-N 3.4Å; D78-M82 VanDerWaalsContact O-N 3.12Å; D78-I208 HydrophobicContact CB-CG2 3.93Å; D78-C209 WeakPolarHBondContact CB-O 3.32Å; D78-C209 PolarHBondContact N-O 2.83Å | ||
| 79 | N | 73.6 | Confident | 65.7 | Low | 118 Ų | 118 | 82.8 Ų | 82.8 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.1 | -33.1 | -178.7 | -76.4 | -34.2 | 0 | 0 | 0 | 111.7 | L77 C81 M82 L83 | L77-N79 PolarHBondContact O-N 3.24Å; N79-C81 VanDerWaalsContact C-N 3.32Å; N79-C81 PolarHBondContact O-N 3.17Å; N79-M82 WeakPolarHBondContact O-CB 3.43Å; N79-M82 PolarHBondContact O-N 3.2Å; N79-L83 WeakPolarHBondContact O-CB 3.42Å; N79-L83 VanDerWaalsContact O-CG 3.28Å; N79-L83 WeakPolarHBondContact O-CG 3.37Å; N79-L83 PolarHBondContact O-N 3.25Å |
| 80 | D | 69.2 | Low | 65.2 | Low | 80 Ų | 80 | 89.1 Ų | 89.1 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 176 | -97.3 | 27.1 | 0 | 0 | 0 | 112.1 | D78 K84 | D78-D80 PolarHBondContact O-N 3.44Å; D78-D80 PolarHBondContact OD1-N 2.92Å; D80-K84 VanDerWaalsContact O-CB 3.24Å; D80-K84 WeakPolarHBondContact O-CB 3.22Å; D80-K84 VanDerWaalsContact O-CG 3.32Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 3.22Å; D80-K84 IonicContact OD2-NZ 2.77Å; D80-K84 PolarHBondContact OD2-NZ 3.14Å |
| 81 | C | 64.2 | Low | 64.5 | Low | 29 Ų | 29 | 87.2 Ų | 87.2 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.3 | -38.5 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | L77 D78 N79 G85 | L77-C81 HydrophobicContact CD1-CB 4.33Å; L77-C81 HydrophobicContact CD2-CB 4.32Å; L77-C81 HydrophobicContact CG-CB 4.13Å; D78-C81 WeakPolarHBondContact O-CB 3.18Å; D78-C81 PolarHBondContact O-N 2.78Å; N79-C81 VanDerWaalsContact C-N 3.32Å; N79-C81 PolarHBondContact O-N 3.17Å; C81-G85 PolarHBondContact O-N 2.96Å |
| 82 | M | 60.3 | Low | 64.1 | Low | 99 Ų | 99 | 85.8 Ų | 85.8 | 49% | 0.488 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.7 | -72.1 | -71.2 | -68.4 | 0 | 0 | 112.9 | L77 D78 N79 | L77-M82 HydrophobicContact CB-CG 4.3Å; L77-M82 HydrophobicContact CB-SD 4.44Å; L77-M82 HydrophobicContact CD2-CG 3.97Å; L77-M82 HydrophobicContact CD2-SD 3.69Å; L77-M82 HydrophobicContact CG-CG 4.27Å; L77-M82 HydrophobicContact CG-SD 4.49Å; D78-M82 PolarHBondContact O-N 3.4Å; D78-M82 VanDerWaalsContact O-N 3.12Å; N79-M82 WeakPolarHBondContact O-CB 3.43Å; N79-M82 PolarHBondContact O-N 3.2Å |
| 83 | L | 57.9 | Low | 63.4 | Low | 147 Ų | 147 | 84.8 Ų | 84.8 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -84 | -41.9 | -174.2 | -71.9 | 170 | 0 | 0 | 0 | 113.5 | N79 G85 | N79-L83 WeakPolarHBondContact O-CB 3.42Å; N79-L83 VanDerWaalsContact O-CG 3.28Å; N79-L83 WeakPolarHBondContact O-CG 3.37Å; N79-L83 PolarHBondContact O-N 3.25Å; L83-G85 PolarHBondContact O-N 3.46Å |
| 84 | K | 57.6 | Low | 62.1 | Low | 157 Ų | 157 | 88.9 Ų | 88.9 | 68% | 0.683 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.2 | -18.1 | -178.6 | -70.8 | 168.9 | 177.6 | 159.7 | 0 | 112.3 | D80 | D80-K84 VanDerWaalsContact O-CB 3.24Å; D80-K84 WeakPolarHBondContact O-CB 3.22Å; D80-K84 VanDerWaalsContact O-CG 3.32Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 3.22Å; D80-K84 IonicContact OD2-NZ 2.77Å; D80-K84 PolarHBondContact OD2-NZ 3.14Å |
| 85 | G | 52.3 | Low | 60.7 | Low | 41 Ų | 41 | 87.4 Ų | 87.4 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | 68.8 | 140.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C81 L83 E87 | C81-G85 PolarHBondContact O-N 2.96Å; L83-G85 PolarHBondContact O-N 3.46Å; G85-E87 PolarHBondContact O-N 3.47Å | ||
| 86 | S | 52.3 | Low | 59.1 | Low | 46 Ų | 46 | 90.8 Ų | 90.8 | 32% | 0.322 | 46% | 0.462 | S | S | . | . | trans | -60.5 | 133.2 | 165.9 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | V88 I92 | S86-V88 PolarHBondContact O-N 2.93Å; S86-V88 VanDerWaalsContact O-N 3.08Å; S86-I92 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 87 | E | 50.5 | Low | 57.3 | Low | 198 Ų | 198 | 94.4 Ų | 94.4 | 93% | 0.925 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -64.3 | -9.8 | 171 | -67.9 | -176.6 | 160.3 | 0 | 0 | 113 | G85 D89 | G85-E87 PolarHBondContact O-N 3.47Å; E87-D89 PolarHBondContact O-N 3.29Å |
| 88 | V | 52.8 | Low | 55.7 | Low | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | trans | -96.9 | 77.7 | -171.7 | -161.5 | 0 | 0 | 0 | 0 | 112.4 | S86 H90 E91 I92 | S86-V88 PolarHBondContact O-N 2.93Å; S86-V88 VanDerWaalsContact O-N 3.08Å; V88-H90 VanDerWaalsContact C-N 3.34Å; V88-H90 PolarHBondContact O-N 3.38Å; V88-E91 HydrophobicContact CG1-CB 3.8Å; V88-E91 HydrophobicContact CG1-CG 4.07Å; V88-E91 WeakPolarHBondContact CG1-OE2 3.25Å; V88-I92 HydrophobicContact CB-CD1 4.37Å; V88-I92 WeakPolarHBondContact O-CD1 3.39Å | ||
| 89 | D | 54.9 | Low | 54 | Low | 108 Ų | 108 | 97.3 Ų | 97.3 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.6 | -22.7 | -170.1 | -150.3 | 22.7 | 0 | 0 | 0 | 114.8 | E87 | E87-D89 PolarHBondContact O-N 3.29Å |
| 90 | H | 54.6 | Low | 52.4 | Low | 151 Ų | 151 | 98 Ų | 98 | 70% | 0.699 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -94.5 | -42.4 | -176 | -81.6 | 39.7 | 0 | 0 | 0 | 114.5 | V88 I92 F94 | V88-H90 VanDerWaalsContact C-N 3.34Å; V88-H90 PolarHBondContact O-N 3.38Å; H90-I92 VanDerWaalsContact C-N 3.35Å; H90-I92 PolarHBondContact O-N 3.16Å; H90-F94 PolarHBondContact O-N 2.88Å |
| 91 | E | 50.5 | Low | 51.1 | Low | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.3 | -30.6 | -179.2 | -72.5 | -179.7 | 159.3 | 0 | 0 | 112.6 | V88 F94 S95 | V88-E91 HydrophobicContact CG1-CB 3.8Å; V88-E91 HydrophobicContact CG1-CG 4.07Å; V88-E91 WeakPolarHBondContact CG1-OE2 3.25Å; E91-F94 WeakPolarHBondContact O-CB 3.15Å; E91-F94 PolarHBondContact O-N 3.39Å; E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.16Å |
| 92 | I | 52.4 | Low | 50 | Low | 18 Ų | 18 | 104.7 Ų | 104.7 | 9% | 0.092 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -74.2 | -38.2 | 178.7 | -69.6 | 167.6 | 0 | 0 | 0 | 110.8 | S86 V88 H90 F94 S95 L96 I212 | S86-I92 WeakPolarHBondContact OG-CD1 3.42Å; V88-I92 HydrophobicContact CB-CD1 4.37Å; V88-I92 WeakPolarHBondContact O-CD1 3.39Å; H90-I92 VanDerWaalsContact C-N 3.35Å; H90-I92 PolarHBondContact O-N 3.16Å; I92-F94 PolarHBondContact O-N 2.98Å; I92-S95 PolarHBondContact O-N 2.71Å; I92-L96 HydrophobicContact CG2-CD1 3.6Å; I92-L96 HydrophobicContact CG2-CG 4.03Å; I92-L96 WeakPolarHBondContact O-CB 3.46Å; I92-L96 WeakPolarHBondContact O-CD1 3.48Å; I92-L96 WeakPolarHBondContact O-CG 3.47Å; I92-L96 PolarHBondContact O-N 3.15Å; I92-I212 HydrophobicContact CD1-CD1 3.98Å; I92-I212 HydrophobicContact CD1-CG2 3.83Å; I92-I212 HydrophobicContact CG1-CD1 4.09Å; I92-I212 HydrophobicContact CG1-CG2 4.01Å; I92-I212 HydrophobicContact CG2-CD1 4.13Å |
| 93 | K | 50.8 | Low | 49.2 | Very low | 127 Ų | 127 | 103.7 Ų | 103.7 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.3 | -37.2 | 169.3 | -89.4 | 176.7 | -179.9 | 156.7 | 0 | 112.3 | K97 | K93-K97 PolarHBondContact O-N 3.14Å |
| 94 | F | 48.3 | Very low | 48.6 | Very low | 145 Ų | 145 | 98 Ų | 98 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.9 | -48.9 | 175.8 | -120.6 | -84.9 | 0 | 0 | 0 | 111.7 | H90 E91 I92 L96 K97 E98 | H90-F94 PolarHBondContact O-N 2.88Å; E91-F94 WeakPolarHBondContact O-CB 3.15Å; E91-F94 PolarHBondContact O-N 3.39Å; I92-F94 PolarHBondContact O-N 2.98Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 3.4Å; F94-K97 WeakPolarHBondContact O-CB 3.37Å; F94-K97 PolarHBondContact O-N 3.26Å; F94-E98 PolarHBondContact O-N 3.23Å |
| 95 | S | 49.1 | Very low | 47.9 | Very low | 11 Ų | 11 | 91.9 Ų | 91.9 | 8% | 0.077 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.5 | -33.6 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 113 | E91 I92 N99 | E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.16Å; I92-S95 PolarHBondContact O-N 2.71Å; S95-N99 PolarHBondContact O-N 3.29Å; S95-N99 PolarHBondContact O-ND2 2.79Å |
| 96 | L | 48.8 | Very low | 47.5 | Very low | 78 Ų | 78 | 95.6 Ų | 95.6 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.8 | -24.2 | 175.4 | -71.6 | 170.6 | 0 | 0 | 0 | 113.5 | I92 F94 L105 F216 | I92-L96 HydrophobicContact CG2-CD1 3.6Å; I92-L96 HydrophobicContact CG2-CG 4.03Å; I92-L96 WeakPolarHBondContact O-CB 3.46Å; I92-L96 WeakPolarHBondContact O-CD1 3.48Å; I92-L96 WeakPolarHBondContact O-CG 3.47Å; I92-L96 PolarHBondContact O-N 3.15Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 3.4Å; L96-L105 HydrophobicContact CD2-CD1 3.34Å; L96-F216 HydrophobicContact CD2-CZ 4.42Å |
| 97 | K | 46.7 | Very low | 47 | Very low | 175 Ų | 175 | 97.7 Ų | 97.7 | 76% | 0.761 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.2 | -34.9 | 175.1 | -91.1 | -178.4 | 175.3 | 179.4 | 0 | 112.1 | K93 F94 | K93-K97 PolarHBondContact O-N 3.14Å; F94-K97 WeakPolarHBondContact O-CB 3.37Å; F94-K97 PolarHBondContact O-N 3.26Å |
| 98 | E | 43.7 | Very low | 46.3 | Very low | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -84 | -30.7 | -177 | -68.2 | -171.9 | 161.6 | 0 | 0 | 113.7 | F94 V100 | F94-E98 PolarHBondContact O-N 3.23Å; E98-V100 PolarHBondContact O-N 3.28Å |
| 99 | N | 42.8 | Very low | 45.3 | Very low | 16 Ų | 16 | 101.4 Ų | 101.4 | 9% | 0.086 | 50% | 0.497 | C | S | . | . | trans | -84.4 | 97.2 | -178.8 | -81.1 | -41.4 | 0 | 0 | 0 | 111.7 | S95 N101 F216 K286 R318 | S95-N99 PolarHBondContact O-N 3.29Å; S95-N99 PolarHBondContact O-ND2 2.79Å; N99-N101 PolarHBondContact O-N 3.07Å; N99-N101 VanDerWaalsContact O-N 3.11Å; N99-F216 VanDerWaalsContact ND2-CD1 3.33Å; N99-F216 WeakPolarHBondContact ND2-CD1 3.5Å; N99-F216 WeakPolarHBondContact ND2-CE1 3.36Å; N99-K286 PolarHBondContact OD1-NZ 3.44Å; N99-R318 PolarHBondContact ND2-NH2 3.49Å | ||
| 100 | V | 40.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 104.5 Ų | 104.5 | 80% | 0.8 | 51% | 0.508 | S | S | * | . | trans | -65.4 | -6.7 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 113 | E98 R102 | E98-V100 PolarHBondContact O-N 3.28Å; V100-R102 VanDerWaalsContact C-N 3.25Å; V100-R102 PolarHBondContact O-N 2.93Å | ||
| 101 | N | 42.7 | Very low | 43.4 | Very low | 49 Ų | 49 | 101.8 Ų | 101.8 | 26% | 0.262 | 50% | 0.497 | S | S | . | . | trans | -83.8 | 63 | 174.3 | -72.3 | -11 | 0 | 0 | 0 | 112.1 | N99 S103 I104 | N99-N101 PolarHBondContact O-N 3.07Å; N99-N101 VanDerWaalsContact O-N 3.11Å; N101-S103 PolarHBondContact O-N 2.87Å; N101-S103 VanDerWaalsContact O-N 3.1Å; N101-I104 HydrophobicContact CB-CB 4.41Å; N101-I104 HydrophobicContact CB-CD1 3.69Å; N101-I104 HydrophobicContact CB-CG1 4.03Å; N101-I104 WeakPolarHBondContact ND2-CD1 3.4Å; N101-I104 PolarHBondContact O-N 3.32Å; N101-I104 VanDerWaalsContact O-N 3.15Å | ||
| 102 | R | 40.8 | Very low | 42.7 | Very low | 202 Ų | 202 | 104.3 Ų | 104.3 | 76% | 0.762 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.8 | -22.7 | 167.4 | -78.4 | -176.5 | 172.9 | 175.9 | -2.5 | 112.9 | V100 | V100-R102 VanDerWaalsContact C-N 3.25Å; V100-R102 PolarHBondContact O-N 2.93Å |
| 103 | S | 44.1 | Very low | 41.9 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.1 | -27.8 | 178 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | N101 | N101-S103 PolarHBondContact O-N 2.87Å; N101-S103 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 43.8 | Very low | 41 | Very low | 27 Ų | 27 | 114.5 Ų | 114.5 | 14% | 0.138 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -82.6 | -32.8 | -176.6 | -64.6 | 173 | 0 | 0 | 0 | 111.4 | L73 N101 Y215 I219 | L73-I104 HydrophobicContact CD1-CD1 3.67Å; L73-I104 HydrophobicContact CD1-CG1 3.81Å; L73-I104 HydrophobicContact CD1-CG2 3.92Å; N101-I104 HydrophobicContact CB-CB 4.41Å; N101-I104 HydrophobicContact CB-CD1 3.69Å; N101-I104 HydrophobicContact CB-CG1 4.03Å; N101-I104 WeakPolarHBondContact ND2-CD1 3.4Å; N101-I104 PolarHBondContact O-N 3.32Å; N101-I104 VanDerWaalsContact O-N 3.15Å; I104-Y215 VanDerWaalsContact CG2-OH 3.3Å; I104-Y215 WeakPolarHBondContact CG2-OH 3.45Å; I104-I219 HydrophobicContact CD1-CG2 4.36Å; I104-I219 HydrophobicContact CG2-CD1 3.74Å |
| 105 | L | 43.9 | Very low | 40.5 | Very low | 28 Ų | 28 | 115.6 Ų | 115.6 | 15% | 0.147 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -82.1 | -15.4 | -170.4 | -76.1 | 160.8 | 0 | 0 | 0 | 115.4 | L96 P107 Y215 F216 | L96-L105 HydrophobicContact CD2-CD1 3.34Å; L105-P107 WeakPolarHBondContact O-CD 3.37Å; L105-Y215 HydrophobicContact CD2-CE1 4.05Å; L105-F216 HydrophobicContact CD1-CE1 3.99Å; L105-F216 HydrophobicContact CD1-CZ 4.12Å; L105-F216 HydrophobicContact CD2-CE1 3.64Å; L105-F216 HydrophobicContact CD2-CZ 3.68Å; L105-F216 HydrophobicContact CG-CE1 4.16Å; L105-F216 HydrophobicContact CG-CZ 4.45Å |
| 106 | F | 43.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 52% | 0.522 | 60% | 0.598 | S | S | . | * | trans | -123.4 | 73.2 | -180 | -62.2 | -76.9 | 0 | 0 | 0 | 110.9 | H108 I111 | F106-H108 VanDerWaalsContact C-N 3.32Å; F106-H108 PolarHBondContact O-N 3.15Å; F106-I111 HydrophobicContact CB-CD1 4.1Å; F106-I111 HydrophobicContact CB-CG1 4.34Å; F106-I111 WeakPolarHBondContact O-CD1 3.28Å | ||
| 107 | P | 41.1 | Very low | 40 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | trans | -71.3 | -17.6 | -170.4 | -18 | 31.4 | 0 | 0 | 0 | 115.1 | L105 | L105-P107 WeakPolarHBondContact O-CD 3.37Š| ||
| 108 | H | 37.4 | Very low | 40.4 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -147.1 | -23.5 | -168.7 | -115.6 | -46.1 | 0 | 0 | 0 | 122 | F106 | F106-H108 VanDerWaalsContact C-N 3.32Å; F106-H108 PolarHBondContact O-N 3.15Å |
| 109 | L | 31.7 | Very low | 41.4 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 89% | 0.89 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -114.2 | -9.1 | -164.9 | -80.3 | 160.6 | 0 | 0 | 0 | 117.9 | ||
| 110 | Q | 33.7 | Very low | 42.8 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -139.8 | 6.2 | -179.7 | -75.5 | -171.7 | -11.4 | 0 | 0 | 117.4 | N112 | Q110-N112 VanDerWaalsContact C-N 3.31Å; Q110-N112 PolarHBondContact O-N 3.34Å; Q110-N112 VanDerWaalsContact O-N 3.15Å |
| 111 | I | 35.6 | Very low | 44.6 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 48% | 0.482 | 58% | 0.584 | S | S | . | * | trans | -91.6 | 69.4 | 172.1 | -50.8 | 176.7 | 0 | 0 | 0 | 109.3 | F106 | F106-I111 HydrophobicContact CB-CD1 4.1Å; F106-I111 HydrophobicContact CB-CG1 4.34Å; F106-I111 WeakPolarHBondContact O-CD1 3.28Å | ||
| 112 | N | 35.1 | Very low | 46.6 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 89% | 0.888 | 57% | 0.572 | S | S | * | * | trans | -119.2 | 29.9 | 168.7 | -123.8 | -7.3 | 0 | 0 | 0 | 111.3 | Q110 | Q110-N112 VanDerWaalsContact C-N 3.31Å; Q110-N112 PolarHBondContact O-N 3.34Å; Q110-N112 VanDerWaalsContact O-N 3.15Å | ||
| 113 | R | 35.5 | Very low | 48.6 | Very low | 231 Ų | 231 | 112 Ų | 112 | 87% | 0.872 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -128.9 | -11.4 | 179.7 | -83.1 | -165.2 | 174.1 | -177 | -0.6 | 118.7 | ||
| 114 | D | 33 | Very low | 50.6 | Low | 128 Ų | 128 | 109.1 Ų | 109.1 | 68% | 0.684 | 53% | 0.528 | S | S | * | . | trans | -145.7 | 114.8 | 164.9 | -73.5 | -55 | 0 | 0 | 0 | 107.4 | L116 | D114-L116 PolarHBondContact O-N 3.38Š| ||
| 115 | I | 37.3 | Very low | 52.8 | Low | 168 Ų | 168 | 108 Ų | 108 | 86% | 0.862 | 52% | 0.523 | S | S | * | . | trans | -60.9 | 84.7 | 158 | -59 | 165.3 | 0 | 0 | 0 | 104.2 | K117 | I115-K117 PolarHBondContact O-N 2.98Š| ||
| 116 | L | 42.2 | Very low | 55.2 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | trans | -57.1 | 99.9 | 164.9 | -77.1 | 168.1 | 0 | 0 | 0 | 103.6 | D114 L118 | D114-L116 PolarHBondContact O-N 3.38Å; L116-L118 PolarHBondContact O-N 3.49Å | ||
| 117 | K | 45.9 | Very low | 57.6 | Low | 185 Ų | 185 | 102.4 Ų | 102.4 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | trans | -50.2 | 111.7 | 170.3 | -79.1 | -174.9 | 174.8 | -176.9 | 0 | 105.6 | I115 K119 | I115-K117 PolarHBondContact O-N 2.98Å; K117-K119 PolarHBondContact O-N 3.17Å | ||
| 118 | L | 54.1 | Low | 60.2 | Low | 110 Ų | 110 | 98.2 Ų | 98.2 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | trans | -51.2 | 127.5 | 176.1 | -65.5 | 161.6 | 0 | 0 | 0 | 106.2 | L116 N120 E146 | L116-L118 PolarHBondContact O-N 3.49Å; L118-N120 PolarHBondContact O-N 3.36Å; L118-N120 VanDerWaalsContact O-N 3.17Å; L118-N120 PolarHBondContact O-OD1 2.97Å; L118-E146 WeakPolarHBondContact CB-OE1 3.41Å; L118-E146 WeakPolarHBondContact CD2-OE1 3.01Å | ||
| 119 | K | 64.7 | Low | 62.8 | Low | 117 Ų | 117 | 91.2 Ų | 91.2 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | trans | -76.7 | 106.8 | -178.9 | -76.6 | -173.7 | 179.1 | -179.5 | 0 | 107.2 | K117 G121 M145 | K117-K119 PolarHBondContact O-N 3.17Å; K119-G121 PolarHBondContact O-N 2.85Å; K119-M145 HydrophobicContact CB-CB 3.99Å; K119-M145 HydrophobicContact CB-CG 4.16Å; K119-M145 HydrophobicContact CD-CE 4.38Å | ||
| 120 | N | 72.6 | Confident | 65.4 | Low | 82 Ų | 82 | 85 Ų | 85 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | trans | -71.9 | 20.7 | 175.6 | -63.8 | -1.4 | 0 | 0 | 0 | 113.6 | E40 F67 T69 L118 | E40-N120 CarbonylContact C-O 3.52Å; E40-N120 CarbonylContact O-C 3.59Å; E40-N120 VanDerWaalsContact O-CB 3.3Å; E40-N120 WeakPolarHBondContact O-CB 3.37Å; F67-N120 VanDerWaalsContact CE2-O 3.24Å; F67-N120 WeakPolarHBondContact CE2-O 3.4Å; F67-N120 WeakPolarHBondContact CZ-O 3.42Å; T69-N120 HydrophobicContact CG2-CB 4.33Å; T69-N120 WeakPolarHBondContact CG2-OD1 3.31Å; T69-N120 PolarHBondContact OG1-OD1 3.07Å; T69-N120 VanDerWaalsContact OG1-OD1 3.07Å; L118-N120 PolarHBondContact O-N 3.36Å; L118-N120 VanDerWaalsContact O-N 3.17Å; L118-N120 PolarHBondContact O-OD1 2.97Å | ||
| 121 | G | 79 | Confident | 67.7 | Low | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -84.6 | 161.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | T38 T39 K119 M145 | T38-G121 WeakPolarHBondContact O-CA 3.19Å; T39-G121 VanDerWaalsContact C-CA 3.45Å; T39-G121 WeakPolarHBondContact O-CA 3.32Å; T39-G121 PolarHBondContact O-N 2.97Å; K119-G121 PolarHBondContact O-N 2.85Å; G121-M145 WeakPolarHBondContact O-CG 3.42Å; G121-M145 PolarHBondContact O-N 2.72Å | ||
| 122 | A | 83.6 | Confident | 70.2 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | C21 S37 T38 L42 F67 V125 L142 | C21-A122 PolarHBondContact SG-O 3.2Å; S37-A122 WeakPolarHBondContact CB-O 3.37Å; T38-A122 PolarHBondContact O-N 2.98Å; L42-A122 HydrophobicContact CB-CB 4.08Å; L42-A122 HydrophobicContact CD1-CB 4.23Å; F67-A122 HydrophobicContact CZ-CB 4.44Å; A122-V125 HydrophobicContact CB-CG2 4.36Å; A122-L142 HydrophobicContact CB-CD1 3.3Å |
| 123 | R | 82.5 | Confident | 72.5 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -40.9 | 171.6 | -180 | 179.7 | 174.8 | 175.8 | -1.7 | 111.4 | T23 T143 M145 N147 | T23-R123 PolarHBondContact OG1-O 3.46Å; R123-T143 PolarHBondContact N-O 3.29Å; R123-M145 HydrophobicContact CB-SD 3.99Å; R123-N147 PolarHBondContact NH1-OD1 3.43Å |
| 124 | L | 86.1 | Confident | 74.4 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 140 | -174.2 | -179.5 | 74.7 | 0 | 0 | 0 | 110.1 | T143 Y226 | L124-T143 PolarHBondContact N-O 2.68Å; L124-T143 PolarHBondContact O-N 3.48Å; L124-Y226 HydrophobicContact CD1-CD1 3.98Å; L124-Y226 HydrophobicContact CD1-CE1 3.91Å; L124-Y226 VanDerWaalsContact CD2-CA 3.49Å; L124-Y226 HydrophobicContact CD2-CD1 4.1Å; L124-Y226 HydrophobicContact CD2-CG 4.4Å |
| 125 | V | 91.5 | Very high | 76.3 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.8 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | A35 L42 A122 M140 S141 L142 | A35-V125 HydrophobicContact CB-CB 4.08Å; A35-V125 HydrophobicContact CB-CG1 3.66Å; A35-V125 HydrophobicContact CB-CG2 4.46Å; L42-V125 HydrophobicContact CD1-CG2 3.73Å; L42-V125 HydrophobicContact CD2-CG2 3.95Å; A122-V125 HydrophobicContact CB-CG2 4.36Å; V125-M140 HydrophobicContact CG1-CB 4.28Å; V125-M140 HydrophobicContact CG1-SD 4.42Å; V125-S141 WeakPolarHBondContact CA-O 3.45Å; V125-L142 HydrophobicContact CG2-CD1 3.9Å |
| 126 | S | 92.9 | Very high | 78.2 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.8 | 173.1 | -164.2 | 0 | 0 | 0 | 0 | 109.3 | M140 S141 T227 | S126-M140 WeakPolarHBondContact O-CA 3.44Å; S126-S141 WeakPolarHBondContact CB-OG 3.42Å; S126-S141 PolarHBondContact N-O 3.43Å; S126-S141 PolarHBondContact O-N 3.43Å; S126-S141 PolarHBondContact O-OG 2.83Å; S126-T227 VanDerWaalsContact CB-O 3.3Å; S126-T227 WeakPolarHBondContact CB-O 3.39Å; S126-T227 WeakPolarHBondContact CB-OG1 3.3Å; S126-T227 PolarHBondContact OG-O 3.48Å |
| 127 | W | 94.9 | Very high | 80.2 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.4 | -177.6 | -67.3 | 106.3 | 0 | 0 | 0 | 111.1 | V27 S29 K33 A35 I44 C138 M140 W160 W229 | V27-W127 PolarHBondContact O-NE1 3.4Å; S29-W127 VanDerWaalsContact CB-CG 3.43Å; K33-W127 HydrophobicContact CB-CH2 4.48Å; K33-W127 HydrophobicContact CB-CZ2 4.29Å; A35-W127 HydrophobicContact CB-CZ2 3.84Å; I44-W127 HydrophobicContact CD1-CH2 3.95Å; I44-W127 HydrophobicContact CD1-CZ2 3.83Å; I44-W127 HydrophobicContact CG2-CH2 4.27Å; I44-W127 HydrophobicContact CG2-CZ2 4.39Å; W127-C138 HydrophobicContact CE3-CB 4.19Å; W127-M140 HydrophobicContact CD2-CB 4.31Å; W127-M140 HydrophobicContact CE3-CB 3.69Å; W127-M140 HydrophobicContact CH2-CB 4.33Å; W127-M140 HydrophobicContact CH2-SD 4.04Å; W127-M140 HydrophobicContact CZ3-CB 3.67Å; W127-M140 HydrophobicContact CZ3-CG 4.24Å; W127-M140 HydrophobicContact CZ3-SD 4.2Å; W127-W160 AromaticContact CH2-CH2 3.69Å; W127-W160 HydrophobicContact CH2-CH2 3.69Å; W127-W160 AromaticContact CH2-CZ2 3.7Å; W127-W160 HydrophobicContact CH2-CZ2 3.7Å; W127-W160 AromaticContact CZ3-CH2 3.38Å; W127-W160 HydrophobicContact CZ3-CH2 3.38Å; W127-W160 AromaticContact CZ3-CZ2 3.92Å; W127-W160 HydrophobicContact CZ3-CZ2 3.92Å; W127-W160 HydrophobicContact CZ3-CZ3 4.05Å; W127-W229 VanDerWaalsContact C-CD1 3.42Å; W127-W229 WeakPolarHBondContact O-CB 3.34Å; W127-W229 VanDerWaalsContact O-CD1 3.23Å |
| 128 | S | 95.2 | Very high | 82.3 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 161.4 | 162.7 | 81.2 | 0 | 0 | 0 | 0 | 110.5 | C138 I139 | S128-C138 PolarHBondContact O-SG 3.11Å; S128-C138 VanDerWaalsContact O-SG 3.38Å; S128-I139 PolarHBondContact N-O 3.07Å; S128-I139 WeakPolarHBondContact OG-CG1 3.47Å; S128-I139 PolarHBondContact OG-N 2.91Å; S128-I139 PolarHBondContact OG-O 3.43Å |
| 129 | P | 91.5 | Very high | 84.2 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 163.4 | 160.1 | -28.7 | 40.4 | 0 | 0 | 0 | 111.3 | V132 Q231 | P129-V132 WeakPolarHBondContact O-CG2 3.25Å; P129-Q231 HydrophobicContact CB-CB 3.69Å; P129-Q231 HydrophobicContact CB-CG 4.47Å; P129-Q231 HydrophobicContact CG-CB 3.5Å; P129-Q231 VanDerWaalsContact CG-CB 3.5Å |
| 130 | R | 85.8 | Confident | 85.6 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 15% | 0.151 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 161.1 | 174.2 | -168.6 | 163.4 | 176.1 | 155.3 | 0.2 | 110.7 | S30 E31 V132 E136 Q231 R574 | S30-R130 WeakPolarHBondContact OG-CB 3.19Å; S30-R130 PolarHBondContact OG-N 3.36Å; E31-R130 HydrophobicContact CG-CG 4.27Å; E31-R130 IonicContact OE1-NE 3.97Å; R130-V132 VanDerWaalsContact C-N 3.34Å; R130-E136 VanDerWaalsContact CG-O 3.23Å; R130-E136 WeakPolarHBondContact CG-O 3.47Å; R130-Q231 PolarHBondContact O-NE2 2.94Å; R130-R574 VanDerWaalsContact CZ-CZ 3.5Å |
| 131 | G | 82.8 | Confident | 86.6 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 21% | 0.206 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 9.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E136 V297 | G131-E136 VanDerWaalsContact CA-C 3.44Å; G131-E136 WeakPolarHBondContact CA-O 3.31Å; G131-E136 PolarHBondContact N-O 2.96Å; G131-V297 WeakPolarHBondContact O-CG1 3.09Å |
| 132 | V | 87.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -86.8 | -40.9 | -169.4 | 172.9 | 0 | 0 | 0 | 0 | 112 | P129 R130 R137 I139 T279 V295 P298 F299 | P129-V132 WeakPolarHBondContact O-CG2 3.25Å; R130-V132 VanDerWaalsContact C-N 3.34Å; V132-R137 PolarHBondContact N-O 3.41Å; V132-I139 HydrophobicContact CG1-CD1 3.73Å; V132-I139 HydrophobicContact CG1-CG1 3.86Å; V132-I139 HydrophobicContact CG1-CG2 4.34Å; V132-T279 HydrophobicContact CG2-CG2 3.97Å; V132-V295 HydrophobicContact CG1-CG1 4.37Å; V132-P298 CarbonylContact O-C 3.57Å; V132-P298 WeakPolarHBondContact O-CA 3.36Å; V132-F299 HydrophobicContact CG1-CB 4.08Å; V132-F299 WeakPolarHBondContact O-CB 3.44Å; V132-F299 PolarHBondContact O-N 2.94Å | ||
| 133 | D | 83.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 174.1 | 177.1 | 82.7 | 0.1 | 0 | 0 | 0 | 113.1 | Y135 E136 R137 I139 | D133-Y135 PolarHBondContact O-N 3.38Å; D133-Y135 VanDerWaalsContact OD1-C 3.24Å; D133-Y135 WeakPolarHBondContact OD1-CA 3.33Å; D133-Y135 PolarHBondContact OD1-N 3.44Å; D133-E136 PolarHBondContact O-N 3.47Å; D133-E136 PolarHBondContact OD1-N 3.04Å; D133-R137 PolarHBondContact N-O 3.3Å; D133-R137 WeakPolarHBondContact OD1-CB 3.45Å; D133-R137 PolarHBondContact OD1-N 3.32Å; D133-R137 IonicContact OD1-NE 3.09Å; D133-R137 IonicContact OD2-CZ 3.23Å; D133-R137 IonicContact OD2-NE 2.73Å; D133-R137 PolarHBondContact OD2-NE 2.92Å; D133-R137 IonicContact OD2-NH2 2.79Å; D133-R137 PolarHBondContact OD2-NH2 3.42Å; D133-I139 HydrophobicContact CB-CG2 3.86Å |
| 134 | K | 75.5 | Confident | 87.7 | Confident | 112 Ų | 112 | 23 Ų | 23 | 49% | 0.487 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10.7 | 177.9 | 67.7 | -173.3 | 175.5 | -173.5 | 0 | 115.6 | P298 | K134-P298 HydrophobicContact CB-CB 4.06Š|
| 135 | Y | 74.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 25.1 Ų | 25.1 | 23% | 0.227 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 16.7 | 178.1 | -55.6 | -69.8 | 0 | 0 | 0 | 112 | D133 R137 P864 | D133-Y135 PolarHBondContact O-N 3.38Å; D133-Y135 VanDerWaalsContact OD1-C 3.24Å; D133-Y135 WeakPolarHBondContact OD1-CA 3.33Å; D133-Y135 PolarHBondContact OD1-N 3.44Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; Y135-R137 VanDerWaalsContact CD2-NH2 3.28Å; Y135-R137 PolarHBondContact O-N 2.82Å; Y135-P864 HydrophobicContact CD1-CB 4.16Å |
| 136 | E | 76.1 | Confident | 86.5 | Confident | 142 Ų | 142 | 27.3 Ų | 27.3 | 66% | 0.664 | 13% | 0.131 | S | C | * | . | S | Bend | trans | 63.9 | 31.3 | -179 | -54 | -177.7 | 166.4 | 0 | 0 | 115.2 | R130 G131 D133 | R130-E136 VanDerWaalsContact CG-O 3.23Å; R130-E136 WeakPolarHBondContact CG-O 3.47Å; G131-E136 VanDerWaalsContact CA-C 3.44Å; G131-E136 WeakPolarHBondContact CA-O 3.31Å; G131-E136 PolarHBondContact N-O 2.96Å; D133-E136 PolarHBondContact O-N 3.47Å; D133-E136 PolarHBondContact OD1-N 3.04Å |
| 137 | R | 84.1 | Confident | 85.9 | Confident | 20 Ų | 20 | 27.6 Ų | 27.6 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | trans | -106.7 | 170.5 | -177.3 | -54.5 | 172.7 | -58.6 | 179.3 | 9.9 | 113.4 | E31 V132 D133 Y135 L154 G156 | E31-R137 WeakPolarHBondContact OE1-CA 3.19Å; E31-R137 WeakPolarHBondContact OE1-CB 3.48Å; E31-R137 WeakPolarHBondContact OE1-CG 3.45Å; V132-R137 PolarHBondContact N-O 3.41Å; D133-R137 PolarHBondContact N-O 3.3Å; D133-R137 WeakPolarHBondContact OD1-CB 3.45Å; D133-R137 PolarHBondContact OD1-N 3.32Å; D133-R137 IonicContact OD1-NE 3.09Å; D133-R137 IonicContact OD2-CZ 3.23Å; D133-R137 IonicContact OD2-NE 2.73Å; D133-R137 PolarHBondContact OD2-NE 2.92Å; D133-R137 IonicContact OD2-NH2 2.79Å; D133-R137 PolarHBondContact OD2-NH2 3.42Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; Y135-R137 VanDerWaalsContact CD2-NH2 3.28Å; Y135-R137 PolarHBondContact O-N 2.82Å; R137-L154 PolarHBondContact NH2-O 3.36Å; R137-G156 PolarHBondContact NH1-O 2.65Å | ||
| 138 | C | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -73.3 | 145.6 | 169.7 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | S30 E31 W127 S128 | S30-C138 PolarHBondContact OG-SG 3.45Å; E31-C138 HydrophobicContact CG-CB 4.45Å; E31-C138 PolarHBondContact OE1-N 2.65Å; W127-C138 HydrophobicContact CE3-CB 4.19Å; S128-C138 PolarHBondContact O-SG 3.11Å; S128-C138 VanDerWaalsContact O-SG 3.38Å | ||
| 139 | I | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -109.8 | 165.2 | 163.6 | 68.5 | 171.1 | 0 | 0 | 0 | 108.4 | S128 V132 D133 T153 W229 F299 | S128-I139 PolarHBondContact N-O 3.07Å; S128-I139 WeakPolarHBondContact OG-CG1 3.47Å; S128-I139 PolarHBondContact OG-N 2.91Å; S128-I139 PolarHBondContact OG-O 3.43Å; V132-I139 HydrophobicContact CG1-CD1 3.73Å; V132-I139 HydrophobicContact CG1-CG1 3.86Å; V132-I139 HydrophobicContact CG1-CG2 4.34Å; D133-I139 HydrophobicContact CB-CG2 3.86Å; I139-T153 HydrophobicContact CB-CG2 4.39Å; I139-T153 HydrophobicContact CG2-CG2 3.73Å; I139-W229 HydrophobicContact CD1-CH2 3.62Å; I139-W229 HydrophobicContact CD1-CZ2 4.12Å; I139-W229 HydrophobicContact CD1-CZ3 4.28Å; I139-W229 HydrophobicContact CG1-CH2 4.13Å; I139-W229 HydrophobicContact CG1-CZ2 4.28Å; I139-F299 HydrophobicContact CD1-CD1 4.1Å; I139-F299 HydrophobicContact CD1-CD2 4.35Å; I139-F299 HydrophobicContact CD1-CE1 4.34Å; I139-F299 HydrophobicContact CD1-CG 4.07Å; I139-F299 HydrophobicContact CG2-CD1 4.5Å | ||
| 140 | M | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.7 | 176.8 | 63.1 | -177.7 | -177.5 | 0 | 0 | 111.7 | L42 I44 V65 V125 S126 W127 L151 C152 W160 | L42-M140 HydrophobicContact CD2-CE 4.02Å; L42-M140 HydrophobicContact CD2-SD 4.16Å; I44-M140 HydrophobicContact CD1-SD 4.19Å; V65-M140 HydrophobicContact CB-CE 4.48Å; V65-M140 HydrophobicContact CG1-CE 3.66Å; V65-M140 HydrophobicContact CG2-CE 4.06Å; V125-M140 HydrophobicContact CG1-CB 4.28Å; V125-M140 HydrophobicContact CG1-SD 4.42Å; S126-M140 WeakPolarHBondContact O-CA 3.44Å; W127-M140 HydrophobicContact CD2-CB 4.31Å; W127-M140 HydrophobicContact CE3-CB 3.69Å; W127-M140 HydrophobicContact CH2-CB 4.33Å; W127-M140 HydrophobicContact CH2-SD 4.04Å; W127-M140 HydrophobicContact CZ3-CB 3.67Å; W127-M140 HydrophobicContact CZ3-CG 4.24Å; W127-M140 HydrophobicContact CZ3-SD 4.2Å; M140-L151 CarbonylContact O-C 3.58Å; M140-L151 WeakPolarHBondContact O-CA 3.2Å; M140-C152 HydrophobicContact CE-CB 3.4Å; M140-C152 HydrophobicContact CG-CB 3.72Å; M140-C152 PolarHBondContact N-O 3.29Å; M140-C152 VanDerWaalsContact N-O 3.07Å; M140-C152 PolarHBondContact O-N 3.1Å; M140-C152 HydrophobicContact SD-CB 4.43Å; M140-W160 HydrophobicContact CE-CB 4.13Å; M140-W160 HydrophobicContact CE-CD2 3.68Å; M140-W160 HydrophobicContact CE-CE3 3.62Å; M140-W160 HydrophobicContact CE-CG 3.91Å; M140-W160 HydrophobicContact CE-CZ3 4.35Å; M140-W160 HydrophobicContact CG-CE3 4.18Å; M140-W160 HydrophobicContact CG-CZ3 4.06Å; M140-W160 HydrophobicContact SD-CD2 4.33Å; M140-W160 HydrophobicContact SD-CE3 4.09Å; M140-W160 HydrophobicContact SD-CZ3 4.25Å |
| 141 | S | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.3 | 159.8 | 51.6 | 0 | 0 | 0 | 0 | 109 | V125 S126 V150 T227 W229 | V125-S141 WeakPolarHBondContact CA-O 3.45Å; S126-S141 WeakPolarHBondContact CB-OG 3.42Å; S126-S141 PolarHBondContact N-O 3.43Å; S126-S141 PolarHBondContact O-N 3.43Å; S126-S141 PolarHBondContact O-OG 2.83Å; S141-V150 WeakPolarHBondContact CA-O 3.48Å; S141-T227 WeakPolarHBondContact OG-CB 3.45Å; S141-T227 PolarHBondContact OG-OG1 3.26Å; S141-W229 PolarHBondContact OG-NE1 3.38Å |
| 142 | L | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.9 | -177.9 | 162 | 61.6 | 0 | 0 | 0 | 108.6 | L42 F67 A122 V125 T149 V150 | L42-L142 HydrophobicContact CD2-CD1 4.13Å; L42-L142 HydrophobicContact CD2-CD2 4.11Å; F67-L142 HydrophobicContact CB-CD2 4.38Å; F67-L142 HydrophobicContact CD1-CD2 3.64Å; F67-L142 HydrophobicContact CD2-CD2 4.39Å; F67-L142 HydrophobicContact CE1-CD2 3.92Å; F67-L142 HydrophobicContact CG-CD2 3.89Å; F67-L142 HydrophobicContact CZ-CD2 4.37Å; A122-L142 HydrophobicContact CB-CD1 3.3Å; V125-L142 HydrophobicContact CG2-CD1 3.9Å; L142-T149 CarbonylContact O-C 3.55Å; L142-T149 VanDerWaalsContact O-CA 3.28Å; L142-T149 WeakPolarHBondContact O-CA 3.04Å; L142-V150 HydrophobicContact CB-CG2 3.98Å; L142-V150 HydrophobicContact CD2-CG2 4.08Å; L142-V150 HydrophobicContact CG-CG2 4.11Å; L142-V150 PolarHBondContact N-O 3Å; L142-V150 PolarHBondContact O-N 2.89Å |
| 143 | T | 89.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121 | 168.4 | -55 | 0 | 0 | 0 | 0 | 109.3 | R123 L124 R148 T149 | R123-T143 PolarHBondContact N-O 3.29Å; L124-T143 PolarHBondContact N-O 2.68Å; L124-T143 PolarHBondContact O-N 3.48Å; T143-R148 CarbonylContact C-O 3.54Å; T143-R148 WeakPolarHBondContact CA-O 3.22Å; T143-T149 WeakPolarHBondContact CG2-OG1 3.24Å; T143-T149 PolarHBondContact OG1-OG1 3.3Å |
| 144 | T | 86.3 | Confident | 86 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 167.7 | 178.8 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | F67 E146 N147 R148 | F67-T144 HydrophobicContact CD2-CG2 3.71Å; F67-T144 HydrophobicContact CE2-CG2 3.74Å; T144-E146 PolarHBondContact O-N 3.06Å; T144-E146 VanDerWaalsContact O-N 3.13Å; T144-E146 PolarHBondContact OG1-N 2.76Å; T144-N147 PolarHBondContact O-N 3.25Å; T144-R148 HydrophobicContact CG2-CB 4.24Å; T144-R148 PolarHBondContact N-O 3.09Å; T144-R148 WeakPolarHBondContact OG1-CB 3.36Å; T144-R148 PolarHBondContact OG1-N 3.38Å; T144-R148 PolarHBondContact OG1-O 2.87Å |
| 145 | M | 78.8 | Confident | 85.9 | Confident | 60 Ų | 60 | 24 Ų | 24 | 30% | 0.296 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.1 | 171.6 | -72 | -59.1 | -62 | 0 | 0 | 113.8 | C21 K119 G121 R123 N147 | C21-M145 VanDerWaalsContact SG-SD 3.69Å; K119-M145 HydrophobicContact CB-CB 3.99Å; K119-M145 HydrophobicContact CB-CG 4.16Å; K119-M145 HydrophobicContact CD-CE 4.38Å; G121-M145 WeakPolarHBondContact O-CG 3.42Å; G121-M145 PolarHBondContact O-N 2.72Å; R123-M145 HydrophobicContact CB-SD 3.99Å; M145-N147 VanDerWaalsContact C-N 3.34Å |
| 146 | E | 75.3 | Confident | 85.6 | Confident | 50 Ų | 50 | 21.5 Ų | 21.5 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.2 | 176.2 | -68.5 | 173.4 | -169.1 | 0 | 0 | 113.1 | G71 L118 T144 R148 | G71-E146 PolarHBondContact N-OE2 2.77Å; L118-E146 WeakPolarHBondContact CB-OE1 3.41Å; L118-E146 WeakPolarHBondContact CD2-OE1 3.01Å; T144-E146 PolarHBondContact O-N 3.06Å; T144-E146 VanDerWaalsContact O-N 3.13Å; T144-E146 PolarHBondContact OG1-N 2.76Å; E146-R148 PolarHBondContact O-N 3.45Å |
| 147 | N | 78.9 | Confident | 85 | Confident | 18 Ų | 18 | 16.6 Ų | 16.6 | 10% | 0.096 | 8% | 0.081 | C | C | . | . | trans | 65.8 | 17.9 | -177 | -42.5 | -69 | 0 | 0 | 0 | 114.9 | R123 T144 M145 V223 | R123-N147 PolarHBondContact NH1-OD1 3.43Å; T144-N147 PolarHBondContact O-N 3.25Å; M145-N147 VanDerWaalsContact C-N 3.34Å; N147-V223 HydrophobicContact CB-CG1 3.8Å; N147-V223 HydrophobicContact CB-CG2 4.35Å | ||
| 148 | R | 85 | Confident | 84.1 | Confident | 31 Ų | 31 | 21.7 Ų | 21.7 | 12% | 0.117 | 11% | 0.105 | C | C | . | . | trans | -74.8 | 124.6 | 166.7 | -172.2 | -173.3 | -177.7 | -141.2 | -11.7 | 108.1 | I68 R70 T143 T144 E146 V150 E162 D165 | I68-R148 PolarHBondContact O-NH1 3.49Å; R70-R148 WeakPolarHBondContact O-CD 3.35Å; T143-R148 CarbonylContact C-O 3.54Å; T143-R148 WeakPolarHBondContact CA-O 3.22Å; T144-R148 HydrophobicContact CG2-CB 4.24Å; T144-R148 PolarHBondContact N-O 3.09Å; T144-R148 WeakPolarHBondContact OG1-CB 3.36Å; T144-R148 PolarHBondContact OG1-N 3.38Å; T144-R148 PolarHBondContact OG1-O 2.87Å; E146-R148 PolarHBondContact O-N 3.45Å; R148-V150 HydrophobicContact CG-CG1 4.16Å; R148-E162 IonicContact CZ-OE2 3.22Å; R148-E162 VanDerWaalsContact CZ-OE2 3.23Å; R148-E162 IonicContact NH1-OE1 2.99Å; R148-E162 PolarHBondContact NH1-OE1 2.95Å; R148-E162 VanDerWaalsContact NH1-OE1 3.16Å; R148-E162 IonicContact NH1-OE2 2.79Å; R148-E162 PolarHBondContact NH1-OE2 3.36Å; R148-E162 IonicContact NH2-OE2 2.81Å; R148-E162 PolarHBondContact NH2-OE2 3.16Å; R148-D165 IonicContact CZ-OD2 2.9Å; R148-D165 IonicContact NE-OD2 3.74Å; R148-D165 PolarHBondContact NE-OD2 2.97Å; R148-D165 IonicContact NH2-OD2 2.76Å; R148-D165 PolarHBondContact NH2-OD2 3.34Å | ||
| 149 | T | 90.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | L142 T143 L166 A167 V224 T227 | L142-T149 CarbonylContact O-C 3.55Å; L142-T149 VanDerWaalsContact O-CA 3.28Å; L142-T149 WeakPolarHBondContact O-CA 3.04Å; T143-T149 WeakPolarHBondContact CG2-OG1 3.24Å; T143-T149 PolarHBondContact OG1-OG1 3.3Å; T149-L166 HydrophobicContact CG2-CB 4.29Å; T149-L166 HydrophobicContact CG2-CD2 3.93Å; T149-L166 WeakPolarHBondContact O-CB 3.27Å; T149-L166 PolarHBondContact O-N 3Å; T149-A167 PolarHBondContact O-N 3.45Å; T149-V224 HydrophobicContact CG2-CG1 4.36Å; T149-V224 VanDerWaalsContact OG1-CB 3.24Å; T149-V224 WeakPolarHBondContact OG1-CB 3.5Å; T149-T227 HydrophobicContact CG2-CG2 4.31Å |
| 150 | V | 92 | Very high | 83.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | S141 L142 R148 E162 V164 | S141-V150 WeakPolarHBondContact CA-O 3.48Å; L142-V150 HydrophobicContact CB-CG2 3.98Å; L142-V150 HydrophobicContact CD2-CG2 4.08Å; L142-V150 HydrophobicContact CG-CG2 4.11Å; L142-V150 PolarHBondContact N-O 3Å; L142-V150 PolarHBondContact O-N 2.89Å; R148-V150 HydrophobicContact CG-CG1 4.16Å; V150-E162 HydrophobicContact CG2-CG 4.41Å; V150-V164 CarbonylContact C-O 3.58Å; V150-V164 VanDerWaalsContact CA-O 3.27Å; V150-V164 WeakPolarHBondContact CA-O 3.07Å |
| 151 | L | 94.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | 166.3 | -54.2 | -173.5 | 0 | 0 | 0 | 108.6 | M140 S163 V164 W229 L281 F299 M305 | M140-L151 CarbonylContact O-C 3.58Å; M140-L151 WeakPolarHBondContact O-CA 3.2Å; L151-S163 PolarHBondContact O-N 3.06Å; L151-V164 HydrophobicContact CB-CB 4.12Å; L151-V164 HydrophobicContact CD1-CB 4.34Å; L151-V164 HydrophobicContact CG-CB 4.32Å; L151-V164 PolarHBondContact N-O 3.46Å; L151-V164 PolarHBondContact O-N 2.94Å; L151-W229 HydrophobicContact CD1-CH2 4.37Å; L151-W229 HydrophobicContact CD2-CH2 4.45Å; L151-W229 HydrophobicContact CD2-CZ2 3.88Å; L151-L281 HydrophobicContact CD1-CD2 4.49Å; L151-L281 HydrophobicContact CD2-CD2 4.1Å; L151-F299 HydrophobicContact CB-CZ 4.32Å; L151-F299 HydrophobicContact CD1-CE2 4.1Å; L151-F299 HydrophobicContact CD1-CZ 3.95Å; L151-M305 HydrophobicContact CD1-CE 3.79Å; L151-M305 HydrophobicContact CD1-SD 3.52Å; L151-M305 VanDerWaalsContact CD1-SD 3.52Å |
| 152 | C | 92.1 | Very high | 82.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.9 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | M140 W160 E161 | M140-C152 HydrophobicContact CE-CB 3.4Å; M140-C152 HydrophobicContact CG-CB 3.72Å; M140-C152 PolarHBondContact N-O 3.29Å; M140-C152 VanDerWaalsContact N-O 3.07Å; M140-C152 PolarHBondContact O-N 3.1Å; M140-C152 HydrophobicContact SD-CB 4.43Å; C152-W160 HydrophobicContact CB-CE3 4.12Å; C152-E161 WeakPolarHBondContact CA-O 3.43Å |
| 153 | T | 88.4 | Confident | 82.3 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 161.9 | 170.1 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | I139 W160 E161 S163 F299 | I139-T153 HydrophobicContact CB-CG2 4.39Å; I139-T153 HydrophobicContact CG2-CG2 3.73Å; T153-W160 WeakPolarHBondContact O-CA 3.14Å; T153-E161 PolarHBondContact N-O 3.32Å; T153-E161 PolarHBondContact O-N 3.1Å; T153-S163 WeakPolarHBondContact CB-OG 3.43Å; T153-S163 WeakPolarHBondContact CG2-OG 3.44Å; T153-S163 PolarHBondContact OG1-OG 2.97Å; T153-F299 HydrophobicContact CG2-CD1 3.64Å; T153-F299 HydrophobicContact CG2-CE1 3.68Å |
| 154 | L | 82.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.5 | 178.8 | -168.7 | 70 | 0 | 0 | 0 | 109.9 | R137 G156 S159 W160 | R137-L154 PolarHBondContact NH2-O 3.36Å; L154-G156 VanDerWaalsContact CD2-O 3.29Å; L154-G156 WeakPolarHBondContact CD2-O 3.38Å; L154-G156 VanDerWaalsContact CG-O 3.32Å; L154-G156 WeakPolarHBondContact CG-O 3.47Å; L154-G156 PolarHBondContact O-N 3.03Å; L154-S159 CarbonylContact C-O 3.57Å; L154-S159 WeakPolarHBondContact CD1-O 3.43Å; L154-W160 HydrophobicContact CB-CE3 4.29Å; L154-W160 HydrophobicContact CB-CH2 4.22Å; L154-W160 HydrophobicContact CB-CZ2 4.49Å; L154-W160 HydrophobicContact CB-CZ3 4.15Å; L154-W160 HydrophobicContact CD1-CD2 3.79Å; L154-W160 HydrophobicContact CD1-CE3 4.4Å; L154-W160 HydrophobicContact CD1-CG 4.02Å; L154-W160 HydrophobicContact CD1-CH2 4.44Å; L154-W160 HydrophobicContact CD1-CZ2 3.89Å |
| 155 | K | 74.2 | Confident | 82.5 | Confident | 99 Ų | 99 | 35.5 Ų | 35.5 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 102.2 | 169.9 | -168.5 | -177.5 | -178.3 | -176.3 | 0 | 109.1 | T157 S159 E161 | K155-T157 PolarHBondContact O-N 3.1Å; K155-S159 PolarHBondContact N-O 2.8Å; K155-E161 HydrophobicContact CB-CG 4.37Å |
| 156 | G | 66.4 | Low | 83.1 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -117.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R137 L154 | R137-G156 PolarHBondContact NH1-O 2.65Å; L154-G156 VanDerWaalsContact CD2-O 3.29Å; L154-G156 WeakPolarHBondContact CD2-O 3.38Å; L154-G156 VanDerWaalsContact CG-O 3.32Å; L154-G156 WeakPolarHBondContact CG-O 3.47Å; L154-G156 PolarHBondContact O-N 3.03Å |
| 157 | T | 64.2 | Low | 83.7 | Confident | 38 Ų | 38 | 30.6 Ų | 30.6 | 23% | 0.233 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -11.1 | -179 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | K155 P872 T874 | K155-T157 PolarHBondContact O-N 3.1Å; T157-P872 HydrophobicContact CG2-CB 4.09Å; T157-T874 HydrophobicContact CG2-CG2 3.63Å; T157-T874 WeakPolarHBondContact OG1-CA 3.48Å; T157-T874 WeakPolarHBondContact OG1-CB 3.43Å; T157-T874 WeakPolarHBondContact OG1-CG2 3.46Å |
| 158 | E | 65.2 | Low | 84.1 | Confident | 128 Ų | 128 | 31.6 Ų | 31.6 | 60% | 0.598 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -12.7 | -164.3 | -66.7 | -174.9 | -175.8 | 0 | 0 | 114.5 | Q63 | Q63-E158 PolarHBondContact NE2-O 3.02Š|
| 159 | S | 77.5 | Confident | 84.3 | Confident | 58 Ų | 58 | 30.2 Ų | 30.2 | 41% | 0.406 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | L154 K155 | L154-S159 CarbonylContact C-O 3.57Å; L154-S159 WeakPolarHBondContact CD1-O 3.43Å; K155-S159 PolarHBondContact N-O 2.8Å |
| 160 | W | 86.4 | Confident | 84.4 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136.6 | 170.7 | -72.2 | 89.1 | 0 | 0 | 0 | 108.3 | K33 I44 Q63 V65 W127 M140 C152 T153 L154 | K33-W160 HydrophobicContact CD-CZ2 4.29Å; I44-W160 HydrophobicContact CG2-CZ2 4.36Å; Q63-W160 VanDerWaalsContact OE1-NE1 3.1Å; V65-W160 HydrophobicContact CG1-CB 3.8Å; V65-W160 HydrophobicContact CG1-CG 4.32Å; V65-W160 HydrophobicContact CG2-CB 4.33Å; V65-W160 HydrophobicContact CG2-CG 4Å; W127-W160 AromaticContact CH2-CH2 3.69Å; W127-W160 HydrophobicContact CH2-CH2 3.69Å; W127-W160 AromaticContact CH2-CZ2 3.7Å; W127-W160 HydrophobicContact CH2-CZ2 3.7Å; W127-W160 AromaticContact CZ3-CH2 3.38Å; W127-W160 HydrophobicContact CZ3-CH2 3.38Å; W127-W160 AromaticContact CZ3-CZ2 3.92Å; W127-W160 HydrophobicContact CZ3-CZ2 3.92Å; W127-W160 HydrophobicContact CZ3-CZ3 4.05Å; M140-W160 HydrophobicContact CE-CB 4.13Å; M140-W160 HydrophobicContact CE-CD2 3.68Å; M140-W160 HydrophobicContact CE-CE3 3.62Å; M140-W160 HydrophobicContact CE-CG 3.91Å; M140-W160 HydrophobicContact CE-CZ3 4.35Å; M140-W160 HydrophobicContact CG-CE3 4.18Å; M140-W160 HydrophobicContact CG-CZ3 4.06Å; M140-W160 HydrophobicContact SD-CD2 4.33Å; M140-W160 HydrophobicContact SD-CE3 4.09Å; M140-W160 HydrophobicContact SD-CZ3 4.25Å; C152-W160 HydrophobicContact CB-CE3 4.12Å; T153-W160 WeakPolarHBondContact O-CA 3.14Å; L154-W160 HydrophobicContact CB-CE3 4.29Å; L154-W160 HydrophobicContact CB-CH2 4.22Å; L154-W160 HydrophobicContact CB-CZ2 4.49Å; L154-W160 HydrophobicContact CB-CZ3 4.15Å; L154-W160 HydrophobicContact CD1-CD2 3.79Å; L154-W160 HydrophobicContact CD1-CE3 4.4Å; L154-W160 HydrophobicContact CD1-CG 4.02Å; L154-W160 HydrophobicContact CD1-CH2 4.44Å; L154-W160 HydrophobicContact CD1-CZ2 3.89Å |
| 161 | E | 86 | Confident | 84.2 | Confident | 77 Ų | 77 | 31 Ų | 31 | 36% | 0.36 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.2 | 178.5 | 66.3 | -177 | -178.6 | 0 | 0 | 110.9 | C152 T153 K155 S163 | C152-E161 WeakPolarHBondContact CA-O 3.43Å; T153-E161 PolarHBondContact N-O 3.32Å; T153-E161 PolarHBondContact O-N 3.1Å; K155-E161 HydrophobicContact CB-CG 4.37Å; E161-S163 PolarHBondContact O-N 3.18Å; E161-S163 VanDerWaalsContact O-N 3.16Å; E161-S163 PolarHBondContact O-OG 3.46Å |
| 162 | E | 88.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 31.2 Ų | 31.2 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 111.3 | 168.4 | -66.5 | -178.9 | -162.1 | 0 | 0 | 108.6 | F67 I68 R148 V150 | F67-E162 WeakPolarHBondContact CA-OE1 3.35Å; F67-E162 WeakPolarHBondContact CB-OE1 3.47Å; I68-E162 PolarHBondContact N-OE1 2.9Å; R148-E162 IonicContact CZ-OE2 3.22Å; R148-E162 VanDerWaalsContact CZ-OE2 3.23Å; R148-E162 IonicContact NH1-OE1 2.99Å; R148-E162 PolarHBondContact NH1-OE1 2.95Å; R148-E162 VanDerWaalsContact NH1-OE1 3.16Å; R148-E162 IonicContact NH1-OE2 2.79Å; R148-E162 PolarHBondContact NH1-OE2 3.36Å; R148-E162 IonicContact NH2-OE2 2.81Å; R148-E162 PolarHBondContact NH2-OE2 3.16Å; V150-E162 HydrophobicContact CG2-CG 4.41Å |
| 163 | S | 88.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -34 | 179.5 | -58 | 0 | 0 | 0 | 0 | 112.1 | L151 T153 E161 | L151-S163 PolarHBondContact O-N 3.06Å; T153-S163 WeakPolarHBondContact CB-OG 3.43Å; T153-S163 WeakPolarHBondContact CG2-OG 3.44Å; T153-S163 PolarHBondContact OG1-OG 2.97Å; E161-S163 PolarHBondContact O-N 3.18Å; E161-S163 VanDerWaalsContact O-N 3.16Å; E161-S163 PolarHBondContact O-OG 3.46Å |
| 164 | V | 90.2 | Very high | 83.8 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 132.6 | -179 | 173 | 0 | 0 | 0 | 0 | 110.6 | V150 L151 L166 I169 F299 V302 M305 | V150-V164 CarbonylContact C-O 3.58Å; V150-V164 VanDerWaalsContact CA-O 3.27Å; V150-V164 WeakPolarHBondContact CA-O 3.07Å; L151-V164 HydrophobicContact CB-CB 4.12Å; L151-V164 HydrophobicContact CD1-CB 4.34Å; L151-V164 HydrophobicContact CG-CB 4.32Å; L151-V164 PolarHBondContact N-O 3.46Å; L151-V164 PolarHBondContact O-N 2.94Å; V164-L166 PolarHBondContact O-N 3.2Å; V164-I169 HydrophobicContact CG1-CD1 3.25Å; V164-F299 HydrophobicContact CB-CZ 4.32Å; V164-F299 HydrophobicContact CG2-CE1 4.41Å; V164-F299 HydrophobicContact CG2-CE2 4.23Å; V164-F299 HydrophobicContact CG2-CZ 3.53Å; V164-V302 HydrophobicContact CB-CG2 4.34Å; V164-V302 HydrophobicContact CG1-CG2 3.97Å; V164-V302 HydrophobicContact CG2-CB 4.44Å; V164-V302 HydrophobicContact CG2-CG2 3.7Å; V164-M305 HydrophobicContact CB-SD 4.42Å; V164-M305 HydrophobicContact CG1-SD 3.84Å; V164-M305 HydrophobicContact CG2-SD 4.34Å |
| 165 | D | 89.3 | Confident | 84.2 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 93.5 | 167.6 | -166.9 | -30.5 | 0 | 0 | 0 | 110 | R148 A167 L168 I169 | R148-D165 IonicContact CZ-OD2 2.9Å; R148-D165 IonicContact NE-OD2 3.74Å; R148-D165 PolarHBondContact NE-OD2 2.97Å; R148-D165 IonicContact NH2-OD2 2.76Å; R148-D165 PolarHBondContact NH2-OD2 3.34Å; D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.98Å; D165-A167 PolarHBondContact OD1-N 3.37Å; D165-L168 HydrophobicContact CB-CB 3.94Å; D165-L168 PolarHBondContact O-N 2.88Å; D165-L168 PolarHBondContact OD1-N 3.36Å; D165-I169 VanDerWaalsContact O-CG1 3.31Å; D165-I169 WeakPolarHBondContact O-CG1 3.19Å; D165-I169 PolarHBondContact O-N 3.31Å |
| 166 | L | 91.5 | Very high | 84.7 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -32.6 | -178.3 | -177.3 | 61.9 | 0 | 0 | 0 | 111.8 | T149 V164 I169 W170 L281 V283 W293 M305 | T149-L166 HydrophobicContact CG2-CB 4.29Å; T149-L166 HydrophobicContact CG2-CD2 3.93Å; T149-L166 WeakPolarHBondContact O-CB 3.27Å; T149-L166 PolarHBondContact O-N 3Å; V164-L166 PolarHBondContact O-N 3.2Å; L166-I169 PolarHBondContact O-N 3.24Å; L166-W170 VanDerWaalsContact O-CB 3.25Å; L166-W170 WeakPolarHBondContact O-CB 3.38Å; L166-W170 PolarHBondContact O-N 3.29Å; L166-L281 HydrophobicContact CD2-CD2 3.98Å; L166-V283 HydrophobicContact CD2-CG2 3.94Å; L166-W293 HydrophobicContact CD1-CD2 4.45Å; L166-W293 HydrophobicContact CD1-CZ2 3.98Å; L166-M305 HydrophobicContact CD1-CE 3.75Å |
| 167 | A | 88.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T149 D165 Q171 | T149-A167 PolarHBondContact O-N 3.45Å; D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.98Å; D165-A167 PolarHBondContact OD1-N 3.37Å; A167-Q171 WeakPolarHBondContact O-CB 3.46Å; A167-Q171 VanDerWaalsContact O-CG 3.24Å; A167-Q171 WeakPolarHBondContact O-CG 3.28Å; A167-Q171 PolarHBondContact O-N 3.29Å |
| 168 | L | 86.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.2 | 179.7 | 61.7 | 0 | 0 | 0 | 112.1 | D165 W170 Q171 Q172 | D165-L168 HydrophobicContact CB-CB 3.94Å; D165-L168 PolarHBondContact O-N 2.88Å; D165-L168 PolarHBondContact OD1-N 3.36Å; L168-W170 VanDerWaalsContact C-N 3.34Å; L168-W170 PolarHBondContact O-N 3.44Å; L168-Q171 PolarHBondContact O-N 3.38Å; L168-Q172 PolarHBondContact O-N 3.03Å |
| 169 | I | 89.2 | Confident | 88 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 178.3 | -64.6 | 168.5 | 0 | 0 | 0 | 110.5 | V164 D165 L166 Q172 Y173 F194 F196 W293 V302 | V164-I169 HydrophobicContact CG1-CD1 3.25Å; D165-I169 VanDerWaalsContact O-CG1 3.31Å; D165-I169 WeakPolarHBondContact O-CG1 3.19Å; D165-I169 PolarHBondContact O-N 3.31Å; L166-I169 PolarHBondContact O-N 3.24Å; I169-Q172 PolarHBondContact O-N 3.47Å; I169-Y173 PolarHBondContact O-N 2.9Å; I169-Y173 VanDerWaalsContact O-N 3.1Å; I169-F194 HydrophobicContact CG2-CE1 3.66Å; I169-F194 HydrophobicContact CG2-CZ 4.31Å; I169-F196 HydrophobicContact CB-CD2 4.17Å; I169-F196 HydrophobicContact CB-CE2 4.31Å; I169-F196 HydrophobicContact CG1-CD2 3.67Å; I169-F196 HydrophobicContact CG1-CE1 4.4Å; I169-F196 HydrophobicContact CG1-CE2 3.58Å; I169-F196 HydrophobicContact CG1-CG 4.12Å; I169-F196 HydrophobicContact CG1-CZ 3.94Å; I169-F196 HydrophobicContact CG2-CD2 4.01Å; I169-F196 HydrophobicContact CG2-CG 4.44Å; I169-W293 HydrophobicContact CG2-CH2 3.67Å; I169-W293 HydrophobicContact CG2-CZ2 4.48Å; I169-W293 HydrophobicContact CG2-CZ3 4.28Å; I169-V302 HydrophobicContact CD1-CB 4.31Å; I169-V302 HydrophobicContact CD1-CG1 3.49Å; I169-V302 VanDerWaalsContact CD1-CG1 3.49Å; I169-V302 HydrophobicContact CD1-CG2 3.88Å; I169-V302 HydrophobicContact CG1-CG1 4.29Å |
| 170 | W | 91.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 179.2 | 178.7 | -113.2 | 0 | 0 | 0 | 112.2 | L166 L168 Q172 Y173 Y174 D221 M285 C291 W293 L307 V310 | L166-W170 VanDerWaalsContact O-CB 3.25Å; L166-W170 WeakPolarHBondContact O-CB 3.38Å; L166-W170 PolarHBondContact O-N 3.29Å; L168-W170 VanDerWaalsContact C-N 3.34Å; L168-W170 PolarHBondContact O-N 3.44Å; W170-Q172 VanDerWaalsContact C-N 3.32Å; W170-Q172 PolarHBondContact O-N 3.36Å; W170-Y173 AromaticContact CE3-CD1 3.87Å; W170-Y173 HydrophobicContact CE3-CD1 3.87Å; W170-Y173 AromaticContact CH2-CD1 3.86Å; W170-Y173 HydrophobicContact CH2-CD1 3.86Å; W170-Y173 AromaticContact CH2-CE1 3.88Å; W170-Y173 HydrophobicContact CH2-CE1 3.88Å; W170-Y173 AromaticContact CZ3-CD1 3.45Å; W170-Y173 HydrophobicContact CZ3-CD1 3.45Å; W170-Y173 VanDerWaalsContact CZ3-CD1 3.45Å; W170-Y173 AromaticContact CZ3-CE1 3.76Å; W170-Y173 HydrophobicContact CZ3-CE1 3.76Å; W170-Y173 HydrophobicContact CZ3-CG 4.36Å; W170-Y173 PolarHBondContact O-N 3.18Å; W170-Y174 WeakPolarHBondContact O-CB 3.44Å; W170-Y174 PolarHBondContact O-N 2.95Å; W170-D221 PolarHBondContact NE1-O 3.43Å; W170-M285 HydrophobicContact CD2-CE 3.69Å; W170-M285 VanDerWaalsContact CE2-CE 3.44Å; W170-M285 HydrophobicContact CE3-CE 4.37Å; W170-M285 HydrophobicContact CG-CE 3.88Å; W170-M285 HydrophobicContact CZ2-CE 3.93Å; W170-M285 HydrophobicContact CZ2-CG 4.47Å; W170-C291 HydrophobicContact CH2-CB 4.14Å; W170-C291 HydrophobicContact CZ3-CB 3.97Å; W170-W293 HydrophobicContact CE3-CZ2 4.22Å; W170-L307 HydrophobicContact CZ3-CD1 4.49Å; W170-L307 HydrophobicContact CZ3-CD2 4.33Å; W170-V310 HydrophobicContact CH2-CG1 3.76Å; W170-V310 HydrophobicContact CH2-CG2 3.94Å; W170-V310 HydrophobicContact CZ3-CG2 3.9Å |
| 171 | Q | 87.9 | Confident | 88.4 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.7 | -77.9 | -179.4 | 56 | 0 | 0 | 112.1 | F72 A167 L168 Y174 V175 V222 | F72-Q171 PolarHBondContact O-NE2 3.07Å; F72-Q171 PolarHBondContact O-OE1 3.14Å; A167-Q171 WeakPolarHBondContact O-CB 3.46Å; A167-Q171 VanDerWaalsContact O-CG 3.24Å; A167-Q171 WeakPolarHBondContact O-CG 3.28Å; A167-Q171 PolarHBondContact O-N 3.29Å; L168-Q171 PolarHBondContact O-N 3.38Å; Q171-Y174 PolarHBondContact O-N 3.48Å; Q171-V175 VanDerWaalsContact O-CG2 3.3Å; Q171-V175 WeakPolarHBondContact O-CG2 3.29Å; Q171-V175 PolarHBondContact O-N 3.2Å; Q171-V222 HydrophobicContact CG-CB 3.98Å; Q171-V222 HydrophobicContact CG-CG1 4.09Å; Q171-V222 HydrophobicContact CG-CG2 4.38Å |
| 172 | Q | 87.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 175.5 | -175.9 | 172.6 | -2.6 | 0 | 0 | 111.3 | L168 I169 W170 Y174 V175 E176 F194 F196 I204 | L168-Q172 PolarHBondContact O-N 3.03Å; I169-Q172 PolarHBondContact O-N 3.47Å; W170-Q172 VanDerWaalsContact C-N 3.32Å; W170-Q172 PolarHBondContact O-N 3.36Å; Q172-Y174 VanDerWaalsContact C-N 3.28Å; Q172-Y174 PolarHBondContact O-N 3.49Å; Q172-V175 PolarHBondContact O-N 3.23Å; Q172-E176 PolarHBondContact O-N 2.99Å; Q172-F194 HydrophobicContact CB-CE2 4.49Å; Q172-F194 HydrophobicContact CB-CZ 4.17Å; Q172-F194 HydrophobicContact CG-CE2 4.09Å; Q172-F194 HydrophobicContact CG-CZ 4.13Å; Q172-F196 VanDerWaalsContact OE1-CD2 3.28Å; Q172-F196 VanDerWaalsContact OE1-CE2 3.22Å; Q172-I204 HydrophobicContact CB-CD1 3.87Å; Q172-I204 HydrophobicContact CG-CD1 3.75Å; Q172-I204 HydrophobicContact CG-CG1 4.46Å; Q172-I204 HydrophobicContact CG-CG2 4.19Å |
| 173 | Y | 90 | Very high | 88 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 174.5 | 172.6 | -96 | 0 | 0 | 0 | 111.4 | I169 W170 E176 H177 D189 P192 F194 L307 V310 | I169-Y173 PolarHBondContact O-N 2.9Å; I169-Y173 VanDerWaalsContact O-N 3.1Å; W170-Y173 AromaticContact CE3-CD1 3.87Å; W170-Y173 HydrophobicContact CE3-CD1 3.87Å; W170-Y173 AromaticContact CH2-CD1 3.86Å; W170-Y173 HydrophobicContact CH2-CD1 3.86Å; W170-Y173 AromaticContact CH2-CE1 3.88Å; W170-Y173 HydrophobicContact CH2-CE1 3.88Å; W170-Y173 AromaticContact CZ3-CD1 3.45Å; W170-Y173 HydrophobicContact CZ3-CD1 3.45Å; W170-Y173 VanDerWaalsContact CZ3-CD1 3.45Å; W170-Y173 AromaticContact CZ3-CE1 3.76Å; W170-Y173 HydrophobicContact CZ3-CE1 3.76Å; W170-Y173 HydrophobicContact CZ3-CG 4.36Å; W170-Y173 PolarHBondContact O-N 3.18Å; Y173-E176 PolarHBondContact O-N 3.31Å; Y173-H177 HydrophobicContact CD2-CB 4.06Å; Y173-H177 AromaticContact CD2-ND1 3.85Å; Y173-H177 HydrophobicContact CE1-CB 4.24Å; Y173-H177 HydrophobicContact CE2-CB 3.64Å; Y173-H177 AromaticContact CE2-CG 3.88Å; Y173-H177 WeakPolarHBondContact O-CA 3.45Å; Y173-H177 WeakPolarHBondContact O-CB 3.5Å; Y173-H177 PolarHBondContact O-N 3.38Å; Y173-D189 PolarHBondContact OH-OD2 2.86Å; Y173-P192 HydrophobicContact CE2-CB 3.91Å; Y173-F194 HydrophobicContact CD2-CB 3.84Å; Y173-F194 HydrophobicContact CD2-CD1 4.48Å; Y173-F194 AromaticContact CD2-CD2 3.86Å; Y173-F194 HydrophobicContact CD2-CD2 3.86Å; Y173-F194 AromaticContact CD2-CG 3.8Å; Y173-F194 HydrophobicContact CD2-CG 3.8Å; Y173-F194 HydrophobicContact CE2-CB 4.35Å; Y173-F194 HydrophobicContact CG-CD2 4.47Å; Y173-F194 HydrophobicContact CG-CG 4.49Å; Y173-L307 HydrophobicContact CD1-CD2 4.25Å; Y173-L307 HydrophobicContact CD2-CD2 3.81Å; Y173-L307 HydrophobicContact CE1-CD2 4.21Å; Y173-L307 HydrophobicContact CE2-CD2 3.76Å; Y173-L307 HydrophobicContact CG-CD2 4.05Å; Y173-V310 HydrophobicContact CE1-CG1 4.41Å; Y173-V310 HydrophobicContact CE1-CG2 3.85Å |
| 174 | Y | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -38.4 | -176.9 | -169.5 | -90.1 | 0 | 0 | 0 | 113.3 | W170 Q171 Q172 E176 G178 V180 A181 L207 A218 D221 V222 Y312 | W170-Y174 WeakPolarHBondContact O-CB 3.44Å; W170-Y174 PolarHBondContact O-N 2.95Å; Q171-Y174 PolarHBondContact O-N 3.48Å; Q172-Y174 VanDerWaalsContact C-N 3.28Å; Q172-Y174 PolarHBondContact O-N 3.49Å; Y174-E176 VanDerWaalsContact C-N 3.26Å; Y174-E176 PolarHBondContact O-N 2.86Å; Y174-G178 WeakPolarHBondContact O-CA 3.46Å; Y174-G178 PolarHBondContact O-N 3.36Å; Y174-V180 VanDerWaalsContact OH-CG2 3.31Å; Y174-V180 WeakPolarHBondContact OH-CG2 3.47Å; Y174-A181 WeakPolarHBondContact O-CB 3.43Å; Y174-L207 HydrophobicContact CD1-CD2 4.4Å; Y174-L207 HydrophobicContact CE1-CD2 4.02Å; Y174-A218 HydrophobicContact CE1-CB 3.83Å; Y174-A218 WeakPolarHBondContact OH-CA 3.33Å; Y174-D221 HydrophobicContact CD2-CB 3.97Å; Y174-D221 HydrophobicContact CE1-CB 4.49Å; Y174-D221 HydrophobicContact CE2-CB 3.24Å; Y174-D221 VanDerWaalsContact CE2-OD2 3.26Å; Y174-D221 WeakPolarHBondContact CE2-OD2 3.21Å; Y174-D221 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D221 PolarHBondContact OH-OD2 3.4Å; Y174-V222 HydrophobicContact CD1-CG1 3.81Å; Y174-V222 HydrophobicContact CD2-CG1 4.28Å; Y174-V222 HydrophobicContact CG-CG1 3.68Å; Y174-Y312 HydrophobicContact CE2-CE1 4.21Å |
| 175 | V | 89.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | R74 Q171 Q172 A181 P205 L207 | R74-V175 HydrophobicContact CB-CG2 4.25Å; Q171-V175 VanDerWaalsContact O-CG2 3.3Å; Q171-V175 WeakPolarHBondContact O-CG2 3.29Å; Q171-V175 PolarHBondContact O-N 3.2Å; Q172-V175 PolarHBondContact O-N 3.23Å; V175-A181 WeakPolarHBondContact O-CB 3.33Å; V175-P205 HydrophobicContact CG1-CG 4.5Å; V175-P205 WeakPolarHBondContact CG1-O 3.38Å; V175-L207 HydrophobicContact CG2-CB 4.1Å |
| 176 | E | 86 | Confident | 84.9 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -86.1 | -39.6 | -178.6 | -68.9 | 172.2 | -167.3 | 0 | 0 | 113 | Q172 Y173 Y174 Q182 | Q172-E176 PolarHBondContact O-N 2.99Å; Y173-E176 PolarHBondContact O-N 3.31Å; Y174-E176 VanDerWaalsContact C-N 3.26Å; Y174-E176 PolarHBondContact O-N 2.86Å; E176-Q182 PolarHBondContact O-NE2 3.49Å |
| 177 | H | 88.2 | Confident | 84.5 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -127 | -5.4 | -166.1 | -58.8 | 91.5 | 0 | 0 | 0 | 114 | Y173 | Y173-H177 HydrophobicContact CD2-CB 4.06Å; Y173-H177 AromaticContact CD2-ND1 3.85Å; Y173-H177 HydrophobicContact CE1-CB 4.24Å; Y173-H177 HydrophobicContact CE2-CB 3.64Å; Y173-H177 AromaticContact CE2-CG 3.88Å; Y173-H177 WeakPolarHBondContact O-CA 3.45Å; Y173-H177 WeakPolarHBondContact O-CB 3.5Å; Y173-H177 PolarHBondContact O-N 3.38Å |
| 178 | G | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -62.7 | 154.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y174 V180 A181 Q182 | Y174-G178 WeakPolarHBondContact O-CA 3.46Å; Y174-G178 PolarHBondContact O-N 3.36Å; G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 2.92Å; G178-A181 PolarHBondContact O-N 2.98Å; G178-Q182 WeakPolarHBondContact O-CB 3.38Å; G178-Q182 PolarHBondContact O-N 3.42Å | ||
| 179 | R | 88.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -41.1 | -175.6 | 66.3 | 177 | 176.8 | 98.5 | -0.9 | 113.1 | S183 R184 D217 D221 Y312 | R179-S183 PolarHBondContact O-N 3.41Å; R179-S183 VanDerWaalsContact O-N 3.13Å; R179-R184 PolarHBondContact O-N 3.43Å; R179-D217 IonicContact CZ-OD2 3.97Å; R179-D217 IonicContact NH1-OD2 3.37Å; R179-D217 PolarHBondContact NH1-OD2 3.06Å; R179-D217 IonicContact NH2-OD2 3.58Å; R179-D221 IonicContact CZ-OD1 3.52Å; R179-D221 IonicContact CZ-OD2 3.97Å; R179-D221 VanDerWaalsContact CZ-OD2 3.25Å; R179-D221 IonicContact NE-OD1 3.25Å; R179-D221 IonicContact NE-OD2 3.12Å; R179-D221 PolarHBondContact NE-OD2 3.03Å; R179-D221 IonicContact NH2-OD1 2.71Å; R179-D221 PolarHBondContact NH2-OD1 3.43Å; R179-D221 IonicContact NH2-OD2 2.91Å; R179-D221 PolarHBondContact NH2-OD2 2.69Å; R179-D221 VanDerWaalsContact NH2-OD2 3.12Å; R179-Y312 HydrophobicContact CG-CD1 4.43Å; R179-Y312 HydrophobicContact CG-CE1 4.47Å |
| 180 | V | 86.5 | Confident | 84 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -46 | 178 | 176 | 0 | 0 | 0 | 0 | 110.1 | Y174 G178 Q182 S183 L207 D214 D217 A218 | Y174-V180 VanDerWaalsContact OH-CG2 3.31Å; Y174-V180 WeakPolarHBondContact OH-CG2 3.47Å; G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 2.92Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.49Å; V180-S183 PolarHBondContact O-N 3.01Å; V180-L207 HydrophobicContact CB-CD2 4.49Å; V180-L207 HydrophobicContact CG1-CD2 4.25Å; V180-D214 HydrophobicContact CG1-CB 3.95Å; V180-D217 HydrophobicContact CG2-CB 4.49Å; V180-A218 HydrophobicContact CB-CB 4.38Å; V180-A218 HydrophobicContact CG1-CB 4.41Å; V180-A218 HydrophobicContact CG2-CB 4.3Å |
| 181 | A | 86 | Confident | 83.5 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y174 V175 G178 L207 | Y174-A181 WeakPolarHBondContact O-CB 3.43Å; V175-A181 WeakPolarHBondContact O-CB 3.33Å; G178-A181 PolarHBondContact O-N 2.98Å; A181-L207 HydrophobicContact CB-CD1 3.82Å; A181-L207 HydrophobicContact CB-CD2 4.16Å |
| 182 | Q | 84.7 | Confident | 83.3 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.9 | -177.9 | -73.8 | -69.7 | -35.8 | 0 | 0 | 113.9 | E176 G178 V180 R184 | E176-Q182 PolarHBondContact O-NE2 3.49Å; G178-Q182 WeakPolarHBondContact O-CB 3.38Å; G178-Q182 PolarHBondContact O-N 3.42Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.49Å; Q182-R184 HydrophobicContact CB-CB 4.08Å; Q182-R184 HydrophobicContact CB-CG 3.75Å; Q182-R184 PolarHBondContact O-N 3.4Å; Q182-R184 VanDerWaalsContact OE1-CZ 3.26Å; Q182-R184 VanDerWaalsContact OE1-NE 3.08Å |
| 183 | S | 81.2 | Confident | 82.8 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 79% | 0.79 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 30.4 | -169.3 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | R179 V180 | R179-S183 PolarHBondContact O-N 3.41Å; R179-S183 VanDerWaalsContact O-N 3.13Å; V180-S183 PolarHBondContact O-N 3.01Å |
| 184 | R | 72.2 | Confident | 82.4 | Confident | 148 Ų | 148 | 71.6 Ų | 71.6 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | trans | -95.5 | 138.6 | -172.3 | -80.7 | 176.7 | -160.6 | -167.7 | 6.5 | 110.6 | R179 Q182 V186 | R179-R184 PolarHBondContact O-N 3.43Å; Q182-R184 HydrophobicContact CB-CB 4.08Å; Q182-R184 HydrophobicContact CB-CG 3.75Å; Q182-R184 PolarHBondContact O-N 3.4Å; Q182-R184 VanDerWaalsContact OE1-CZ 3.26Å; Q182-R184 VanDerWaalsContact OE1-NE 3.08Å; R184-V186 HydrophobicContact CB-CB 4.38Å; R184-V186 HydrophobicContact CB-CG2 4.23Å; R184-V186 PolarHBondContact O-N 3.25Å | ||
| 185 | K | 65.5 | Low | 81.7 | Confident | 208 Ų | 208 | 78.5 Ų | 78.5 | 90% | 0.904 | 39% | 0.392 | S | S | * | . | trans | -77.2 | 9.2 | 167 | -64.3 | -174.6 | 178.3 | -176.8 | 0 | 113.3 | V187 | K185-V187 PolarHBondContact O-N 3.22Š| ||
| 186 | V | 65 | Low | 81 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | -71 | 118.2 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | R184 V188 | R184-V186 HydrophobicContact CB-CB 4.38Å; R184-V186 HydrophobicContact CB-CG2 4.23Å; R184-V186 PolarHBondContact O-N 3.25Å; V186-V188 VanDerWaalsContact CG1-O 3.31Å; V186-V188 WeakPolarHBondContact CG1-O 3.36Å | ||
| 187 | V | 81.8 | Confident | 80.3 | Confident | 70 Ų | 70 | 80 Ų | 80 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | trans | -85.2 | -31 | -176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | K185 Y312 T313 | K185-V187 PolarHBondContact O-N 3.22Å; V187-Y312 WeakPolarHBondContact O-CA 3.29Å; V187-Y312 WeakPolarHBondContact O-CB 3.45Å; V187-Y312 PolarHBondContact O-N 2.84Å; V187-T313 HydrophobicContact CG1-CG2 4.26Å; V187-T313 VanDerWaalsContact CG1-N 3.28Å; V187-T313 WeakPolarHBondContact CG1-OG1 3.47Å | ||
| 188 | V | 85.9 | Confident | 79.2 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 129.4 | -174 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | V186 W309 V310 | V186-V188 VanDerWaalsContact CG1-O 3.31Å; V186-V188 WeakPolarHBondContact CG1-O 3.36Å; V188-W309 HydrophobicContact CG1-CH2 4.07Å; V188-W309 HydrophobicContact CG1-CZ2 3.3Å; V188-V310 CarbonylContact C-O 3.25Å; V188-V310 WeakPolarHBondContact CA-O 3.31Å |
| 189 | D | 84.7 | Confident | 77.8 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 98.7 | 166.5 | -172.9 | -2.1 | 0 | 0 | 0 | 109.3 | Y173 R191 P192 V310 | Y173-D189 PolarHBondContact OH-OD2 2.86Å; D189-R191 VanDerWaalsContact C-N 3.33Å; D189-R191 VanDerWaalsContact OD1-C 3.26Å; D189-R191 PolarHBondContact OD1-N 3.02Å; D189-R191 VanDerWaalsContact OD1-N 3.17Å; D189-P192 VanDerWaalsContact OD2-CA 3.31Å; D189-P192 WeakPolarHBondContact OD2-CA 3.4Å; D189-P192 WeakPolarHBondContact OD2-CB 3.4Å; D189-V310 HydrophobicContact CB-CB 4.18Å; D189-V310 PolarHBondContact N-O 3.11Å; D189-V310 PolarHBondContact O-N 3.44Å |
| 190 | S | 83.5 | Confident | 76.3 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 36% | 0.357 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -78 | -14.4 | -178.3 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 191 | R | 80.5 | Confident | 74.9 | Confident | 185 Ų | 185 | 88.4 Ų | 88.4 | 70% | 0.698 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -148.4 | 65.7 | -177.2 | -66.9 | -170.7 | -179.3 | 178.7 | 0.3 | 110.4 | D189 Q193 | D189-R191 VanDerWaalsContact C-N 3.33Å; D189-R191 VanDerWaalsContact OD1-C 3.26Å; D189-R191 PolarHBondContact OD1-N 3.02Å; D189-R191 VanDerWaalsContact OD1-N 3.17Å; R191-Q193 PolarHBondContact O-N 3.31Å |
| 192 | P | 83.7 | Confident | 73.8 | Confident | 14 Ų | 14 | 94.5 Ų | 94.5 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | trans | -63.1 | 123.8 | -179.4 | 22.2 | -28.2 | 0 | 0 | 0 | 110 | Y173 D189 F194 L307 L308 | Y173-P192 HydrophobicContact CE2-CB 3.91Å; D189-P192 VanDerWaalsContact OD2-CA 3.31Å; D189-P192 WeakPolarHBondContact OD2-CA 3.4Å; D189-P192 WeakPolarHBondContact OD2-CB 3.4Å; P192-F194 PolarHBondContact O-N 3.11Å; P192-L307 HydrophobicContact CB-CD2 3.78Å; P192-L307 HydrophobicContact CB-CG 4.07Å; P192-L307 HydrophobicContact CG-CB 4.09Å; P192-L307 HydrophobicContact CG-CD2 3.82Å; P192-L307 HydrophobicContact CG-CG 3.53Å; P192-L308 WeakPolarHBondContact CD-O 3.41Å | ||
| 193 | Q | 77.4 | Confident | 72.9 | Confident | 183 Ų | 183 | 98 Ų | 98 | 86% | 0.855 | 51% | 0.505 | S | S | * | . | trans | -91.8 | 88.8 | 172.8 | -67.9 | -174 | -7.8 | 0 | 0 | 108.6 | R191 | R191-Q193 PolarHBondContact O-N 3.31Š| ||
| 194 | F | 81.3 | Confident | 72.2 | Confident | 28 Ų | 28 | 93.2 Ų | 93.2 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | trans | -132.6 | 119.8 | -178.5 | -178 | -107.5 | 0 | 0 | 0 | 111 | I169 Q172 Y173 P192 F196 | I169-F194 HydrophobicContact CG2-CE1 3.66Å; I169-F194 HydrophobicContact CG2-CZ 4.31Å; Q172-F194 HydrophobicContact CB-CE2 4.49Å; Q172-F194 HydrophobicContact CB-CZ 4.17Å; Q172-F194 HydrophobicContact CG-CE2 4.09Å; Q172-F194 HydrophobicContact CG-CZ 4.13Å; Y173-F194 HydrophobicContact CD2-CB 3.84Å; Y173-F194 HydrophobicContact CD2-CD1 4.48Å; Y173-F194 AromaticContact CD2-CD2 3.86Å; Y173-F194 HydrophobicContact CD2-CD2 3.86Å; Y173-F194 AromaticContact CD2-CG 3.8Å; Y173-F194 HydrophobicContact CD2-CG 3.8Å; Y173-F194 HydrophobicContact CE2-CB 4.35Å; Y173-F194 HydrophobicContact CG-CD2 4.47Å; Y173-F194 HydrophobicContact CG-CG 4.49Å; P192-F194 PolarHBondContact O-N 3.11Å; F194-F196 HydrophobicContact CE1-CB 4.07Å; F194-F196 HydrophobicContact CZ-CB 4.39Å; F194-F196 HydrophobicContact CZ-CD2 4.29Å | ||
| 195 | I | 75.6 | Confident | 72.4 | Confident | 145 Ų | 145 | 90.5 Ų | 90.5 | 74% | 0.744 | 47% | 0.472 | S | S | * | . | trans | -116.1 | 113.8 | 173.8 | -59.6 | 174.8 | 0 | 0 | 0 | 106.8 | Q197 | I195-Q197 PolarHBondContact O-N 3.01Š| ||
| 196 | F | 75.8 | Confident | 73.3 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | trans | -71.3 | 127.5 | 177.4 | 179.9 | -99.8 | 0 | 0 | 0 | 111.1 | I169 Q172 F194 P198 V302 | I169-F196 HydrophobicContact CB-CD2 4.17Å; I169-F196 HydrophobicContact CB-CE2 4.31Å; I169-F196 HydrophobicContact CG1-CD2 3.67Å; I169-F196 HydrophobicContact CG1-CE1 4.4Å; I169-F196 HydrophobicContact CG1-CE2 3.58Å; I169-F196 HydrophobicContact CG1-CG 4.12Å; I169-F196 HydrophobicContact CG1-CZ 3.94Å; I169-F196 HydrophobicContact CG2-CD2 4.01Å; I169-F196 HydrophobicContact CG2-CG 4.44Å; Q172-F196 VanDerWaalsContact OE1-CD2 3.28Å; Q172-F196 VanDerWaalsContact OE1-CE2 3.22Å; F194-F196 HydrophobicContact CE1-CB 4.07Å; F194-F196 HydrophobicContact CZ-CB 4.39Å; F194-F196 HydrophobicContact CZ-CD2 4.29Å; F196-P198 HydrophobicContact CD1-CG 4.09Å; F196-P198 HydrophobicContact CE1-CB 4.09Å; F196-P198 HydrophobicContact CE1-CG 3.84Å; F196-V302 HydrophobicContact CB-CG1 3.69Å; F196-V302 HydrophobicContact CD1-CB 3.85Å; F196-V302 HydrophobicContact CD1-CG1 3.24Å; F196-V302 HydrophobicContact CD1-CG2 4.08Å; F196-V302 HydrophobicContact CE1-CB 4.24Å; F196-V302 HydrophobicContact CE1-CG1 3.95Å; F196-V302 HydrophobicContact CE1-CG2 3.95Å; F196-V302 HydrophobicContact CG-CG1 3.6Å | ||
| 197 | Q | 70.4 | Confident | 74.3 | Confident | 87 Ų | 87 | 79.9 Ų | 79.9 | 41% | 0.407 | 43% | 0.425 | S | S | . | . | trans | -112.2 | 108.4 | 174.6 | -62.5 | -167.5 | 34.4 | 0 | 0 | 110.5 | I195 T199 E200 | I195-Q197 PolarHBondContact O-N 3.01Å; Q197-T199 VanDerWaalsContact C-N 3.25Å; Q197-T199 PolarHBondContact O-N 3.06Å; Q197-E200 HydrophobicContact CB-CG 4.07Å; Q197-E200 PolarHBondContact O-N 3.29Å; Q197-E200 PolarHBondContact OE1-OE1 3.23Å | ||
| 198 | P | 65 | Low | 74.5 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -58.9 | -34.9 | -177.8 | -21.9 | 29.8 | 0 | 0 | 0 | 113.8 | F196 E200 C201 | F196-P198 HydrophobicContact CD1-CG 4.09Å; F196-P198 HydrophobicContact CE1-CB 4.09Å; F196-P198 HydrophobicContact CE1-CG 3.84Å; P198-E200 PolarHBondContact O-N 2.66Å; P198-C201 WeakPolarHBondContact O-CB 3.26Å; P198-C201 PolarHBondContact O-N 2.94Å; P198-C201 PolarHBondContact O-SG 3.23Å; P198-C201 VanDerWaalsContact O-SG 3.37Å |
| 199 | T | 59 | Low | 74.5 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 77% | 0.767 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -63.6 | -21.4 | -176.7 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | Q197 | Q197-T199 VanDerWaalsContact C-N 3.25Å; Q197-T199 PolarHBondContact O-N 3.06Å |
| 200 | E | 56.4 | Low | 74.5 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 36% | 0.36 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -88.8 | -7.4 | -176.4 | -63.1 | -178.6 | 158.5 | 0 | 0 | 112.9 | Q197 P198 N202 N203 I204 | Q197-E200 HydrophobicContact CB-CG 4.07Å; Q197-E200 PolarHBondContact O-N 3.29Å; Q197-E200 PolarHBondContact OE1-OE1 3.23Å; P198-E200 PolarHBondContact O-N 2.66Å; E200-N202 VanDerWaalsContact C-N 3.28Å; E200-N202 PolarHBondContact O-N 2.84Å; E200-N202 VanDerWaalsContact O-N 3.12Å; E200-N203 CarbonylContact O-C 3.47Å; E200-N203 PolarHBondContact O-N 2.97Å; E200-I204 WeakPolarHBondContact O-CG1 3.5Å; E200-I204 PolarHBondContact O-N 2.85Å; E200-I204 VanDerWaalsContact O-N 3.11Å |
| 201 | C | 57.3 | Low | 74.4 | Confident | 22 Ų | 22 | 86 Ų | 86 | 15% | 0.149 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -53.2 | -40.3 | -174.5 | -76.2 | 0 | 0 | 0 | 0 | 113.1 | R74 P198 N203 | R74-C201 PolarHBondContact NH1-O 2.95Å; R74-C201 PolarHBondContact NH2-O 3.02Å; P198-C201 WeakPolarHBondContact O-CB 3.26Å; P198-C201 PolarHBondContact O-N 2.94Å; P198-C201 PolarHBondContact O-SG 3.23Å; P198-C201 VanDerWaalsContact O-SG 3.37Å; C201-N203 VanDerWaalsContact C-N 3.27Å; C201-N203 PolarHBondContact O-N 3.02Å |
| 202 | N | 63.3 | Low | 74.3 | Confident | 156 Ų | 156 | 78.2 Ų | 78.2 | 83% | 0.834 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -74.3 | -17.3 | -179.3 | -69 | -14.3 | 0 | 0 | 0 | 113.7 | E200 | E200-N202 VanDerWaalsContact C-N 3.28Å; E200-N202 PolarHBondContact O-N 2.84Å; E200-N202 VanDerWaalsContact O-N 3.12Å |
| 203 | N | 65.9 | Low | 74.1 | Confident | 143 Ų | 143 | 79 Ų | 79 | 77% | 0.765 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -115 | 3.7 | -172.4 | -69.9 | -9 | 0 | 0 | 0 | 114.5 | E200 C201 P205 | E200-N203 CarbonylContact O-C 3.47Å; E200-N203 PolarHBondContact O-N 2.97Å; C201-N203 VanDerWaalsContact C-N 3.27Å; C201-N203 PolarHBondContact O-N 3.02Å; N203-P205 WeakPolarHBondContact O-CD 3.41Å |
| 204 | I | 66.4 | Low | 74.5 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 123.5 | 177.8 | -40.9 | 170.3 | 0 | 0 | 0 | 108.7 | R74 Q172 E200 | R74-I204 VanDerWaalsContact NH1-CB 3.26Å; R74-I204 PolarHBondContact NH1-O 3.17Å; Q172-I204 HydrophobicContact CB-CD1 3.87Å; Q172-I204 HydrophobicContact CG-CD1 3.75Å; Q172-I204 HydrophobicContact CG-CG1 4.46Å; Q172-I204 HydrophobicContact CG-CG2 4.19Å; E200-I204 WeakPolarHBondContact O-CG1 3.5Å; E200-I204 PolarHBondContact O-N 2.85Å; E200-I204 VanDerWaalsContact O-N 3.11Å |
| 205 | P | 76.1 | Confident | 74.6 | Confident | 91 Ų | 91 | 73 Ų | 73 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 148.2 | 178.3 | 25 | -33.3 | 0 | 0 | 0 | 111.1 | V175 N203 | V175-P205 HydrophobicContact CG1-CG 4.5Å; V175-P205 WeakPolarHBondContact CG1-O 3.38Å; N203-P205 WeakPolarHBondContact O-CD 3.41Å |
| 206 | S | 84 | Confident | 74.9 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 142.6 | 168.2 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | R74 E76 I208 | R74-S206 CarbonylContact O-C 3.52Å; R74-S206 WeakPolarHBondContact O-CA 3.33Å; E76-S206 VanDerWaalsContact CD-CB 3.48Å; E76-S206 WeakPolarHBondContact OE1-CB 3.34Å; E76-S206 PolarHBondContact OE1-OG 3.44Å; S206-I208 PolarHBondContact O-N 3.4Å |
| 207 | L | 86.4 | Confident | 75.4 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.6 | 167.6 | 175.8 | 64.4 | 0 | 0 | 0 | 109 | R74 E76 Y174 V175 V180 A181 A218 | R74-L207 PolarHBondContact O-N 3.49Å; E76-L207 PolarHBondContact N-O 3.45Å; Y174-L207 HydrophobicContact CD1-CD2 4.4Å; Y174-L207 HydrophobicContact CE1-CD2 4.02Å; V175-L207 HydrophobicContact CG2-CB 4.1Å; V180-L207 HydrophobicContact CB-CD2 4.49Å; V180-L207 HydrophobicContact CG1-CD2 4.25Å; A181-L207 HydrophobicContact CB-CD1 3.82Å; A181-L207 HydrophobicContact CB-CD2 4.16Å; L207-A218 HydrophobicContact CD2-CB 4.25Å |
| 208 | I | 87.1 | Confident | 76.3 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 109.8 | 176.6 | -56.4 | 173.6 | 0 | 0 | 0 | 109.1 | E76 D78 S206 | E76-I208 WeakPolarHBondContact O-CA 3.33Å; D78-I208 HydrophobicContact CB-CG2 3.93Å; S206-I208 PolarHBondContact O-N 3.4Å |
| 209 | C | 85.4 | Confident | 77.3 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.4 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | E76 L77 D78 N211 D214 Y215 | E76-C209 PolarHBondContact O-N 3.44Å; L77-C209 HydrophobicContact CD1-CB 4.44Å; D78-C209 WeakPolarHBondContact CB-O 3.32Å; D78-C209 PolarHBondContact N-O 2.83Å; C209-N211 VanDerWaalsContact C-N 3.35Å; C209-D214 HydrophobicContact CB-CB 4.4Å; C209-Y215 HydrophobicContact CB-CD2 4.42Å |
| 210 | K | 84.3 | Confident | 78.6 | Confident | 173 Ų | 173 | 51.8 Ų | 51.8 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -83.5 | -14 | 178.7 | -63.1 | -178.9 | -179.5 | 179.2 | 0 | 113.3 | ||
| 211 | N | 80.9 | Confident | 80.2 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -128 | 143.2 | -179.9 | -178.4 | 6.5 | 0 | 0 | 0 | 109.6 | C209 M213 D214 Y215 | C209-N211 VanDerWaalsContact C-N 3.35Å; N211-M213 VanDerWaalsContact C-N 3.26Å; N211-M213 PolarHBondContact O-N 3.4Å; N211-M213 PolarHBondContact OD1-N 3.31Å; N211-D214 HydrophobicContact CB-CB 4.39Å; N211-D214 PolarHBondContact O-N 3.48Å; N211-Y215 PolarHBondContact O-N 2.76Å |
| 212 | I | 79.4 | Confident | 81.7 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -30.8 | 176.9 | -161 | 172.4 | 0 | 0 | 0 | 112.7 | L77 I92 Y215 F216 | L77-I212 HydrophobicContact CD2-CG1 4.43Å; I92-I212 HydrophobicContact CD1-CD1 3.98Å; I92-I212 HydrophobicContact CD1-CG2 3.83Å; I92-I212 HydrophobicContact CG1-CD1 4.09Å; I92-I212 HydrophobicContact CG1-CG2 4.01Å; I92-I212 HydrophobicContact CG2-CD1 4.13Å; I212-Y215 WeakPolarHBondContact O-CB 3.35Å; I212-Y215 PolarHBondContact O-N 2.68Å; I212-F216 HydrophobicContact CD1-CE2 3.84Å; I212-F216 HydrophobicContact CD1-CZ 4.34Å; I212-F216 HydrophobicContact CG1-CD2 3.99Å; I212-F216 HydrophobicContact CG1-CE2 3.58Å; I212-F216 HydrophobicContact CG1-CZ 4.29Å; I212-F216 WeakPolarHBondContact O-CD2 3.5Å; I212-F216 PolarHBondContact O-N 2.94Å |
| 213 | M | 79.5 | Confident | 82.9 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -48.3 | 178 | -61.8 | -61.2 | -94.8 | 0 | 0 | 111.1 | N211 Y215 F216 D217 R318 | N211-M213 VanDerWaalsContact C-N 3.26Å; N211-M213 PolarHBondContact O-N 3.4Å; N211-M213 PolarHBondContact OD1-N 3.31Å; M213-Y215 PolarHBondContact O-N 3.14Å; M213-F216 PolarHBondContact O-N 2.92Å; M213-D217 WeakPolarHBondContact O-CB 3.48Å; M213-D217 PolarHBondContact O-N 3.04Å; M213-R318 HydrophobicContact CE-CB 3.33Å; M213-R318 HydrophobicContact CE-CG 4.36Å; M213-R318 HydrophobicContact SD-CB 4.34Å |
| 214 | D | 84.2 | Confident | 84 | Confident | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.6 | -38.9 | 174.6 | -63.9 | -17.8 | 0 | 0 | 0 | 111.2 | V180 C209 N211 D217 A218 | V180-D214 HydrophobicContact CG1-CB 3.95Å; C209-D214 HydrophobicContact CB-CB 4.4Å; N211-D214 HydrophobicContact CB-CB 4.39Å; N211-D214 PolarHBondContact O-N 3.48Å; D214-D217 PolarHBondContact O-N 2.92Å; D214-A218 WeakPolarHBondContact O-CB 3.26Å; D214-A218 PolarHBondContact O-N 2.84Å |
| 215 | Y | 84.3 | Confident | 85 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.6 | 174.6 | -102.5 | 0 | 0 | 0 | 112.4 | I75 L77 I104 L105 C209 N211 I212 M213 A218 I219 | I75-Y215 HydrophobicContact CG2-CD2 3.77Å; I75-Y215 HydrophobicContact CG2-CE2 4.03Å; I75-Y215 WeakPolarHBondContact O-CE2 3.41Å; L77-Y215 HydrophobicContact CB-CD2 3.97Å; L77-Y215 HydrophobicContact CB-CE2 4.22Å; L77-Y215 HydrophobicContact CB-CG 4.23Å; L77-Y215 HydrophobicContact CD1-CG 4.18Å; I104-Y215 VanDerWaalsContact CG2-OH 3.3Å; I104-Y215 WeakPolarHBondContact CG2-OH 3.45Å; L105-Y215 HydrophobicContact CD2-CE1 4.05Å; C209-Y215 HydrophobicContact CB-CD2 4.42Å; N211-Y215 PolarHBondContact O-N 2.76Å; I212-Y215 WeakPolarHBondContact O-CB 3.35Å; I212-Y215 PolarHBondContact O-N 2.68Å; M213-Y215 PolarHBondContact O-N 3.14Å; Y215-A218 PolarHBondContact O-N 2.74Å; Y215-I219 HydrophobicContact CD1-CD1 3.76Å; Y215-I219 HydrophobicContact CD2-CD1 4.3Å; Y215-I219 HydrophobicContact CE1-CD1 3.24Å; Y215-I219 HydrophobicContact CE2-CD1 3.84Å; Y215-I219 HydrophobicContact CE2-CG1 4.49Å; Y215-I219 HydrophobicContact CG-CD1 4.26Å; Y215-I219 WeakPolarHBondContact O-CG1 3.11Å; Y215-I219 PolarHBondContact O-N 2.82Å |
| 216 | F | 82.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 178.3 | -74.6 | -56.4 | 0 | 0 | 0 | 112.5 | L96 N99 L105 I212 M213 I219 E220 R318 | L96-F216 HydrophobicContact CD2-CZ 4.42Å; N99-F216 VanDerWaalsContact ND2-CD1 3.33Å; N99-F216 WeakPolarHBondContact ND2-CD1 3.5Å; N99-F216 WeakPolarHBondContact ND2-CE1 3.36Å; L105-F216 HydrophobicContact CD1-CE1 3.99Å; L105-F216 HydrophobicContact CD1-CZ 4.12Å; L105-F216 HydrophobicContact CD2-CE1 3.64Å; L105-F216 HydrophobicContact CD2-CZ 3.68Å; L105-F216 HydrophobicContact CG-CE1 4.16Å; L105-F216 HydrophobicContact CG-CZ 4.45Å; I212-F216 HydrophobicContact CD1-CE2 3.84Å; I212-F216 HydrophobicContact CD1-CZ 4.34Å; I212-F216 HydrophobicContact CG1-CD2 3.99Å; I212-F216 HydrophobicContact CG1-CE2 3.58Å; I212-F216 HydrophobicContact CG1-CZ 4.29Å; I212-F216 WeakPolarHBondContact O-CD2 3.5Å; I212-F216 PolarHBondContact O-N 2.94Å; M213-F216 PolarHBondContact O-N 2.92Å; F216-I219 PolarHBondContact O-N 3.15Å; F216-E220 WeakPolarHBondContact O-CG 3.13Å; F216-E220 PolarHBondContact O-N 2.95Å; F216-R318 VanDerWaalsContact C-NH1 3.32Å; F216-R318 VanDerWaalsContact CB-CZ 3.44Å; F216-R318 VanDerWaalsContact CB-NH1 3.31Å; F216-R318 PolarHBondContact O-NH1 3.31Å |
| 217 | D | 86 | Confident | 86.2 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 177.2 | -86.2 | 21.6 | 0 | 0 | 0 | 111.7 | R179 V180 M213 D214 E220 D221 V317 R318 | R179-D217 IonicContact CZ-OD2 3.97Å; R179-D217 IonicContact NH1-OD2 3.37Å; R179-D217 PolarHBondContact NH1-OD2 3.06Å; R179-D217 IonicContact NH2-OD2 3.58Å; V180-D217 HydrophobicContact CG2-CB 4.49Å; M213-D217 WeakPolarHBondContact O-CB 3.48Å; M213-D217 PolarHBondContact O-N 3.04Å; D214-D217 PolarHBondContact O-N 2.92Å; D217-E220 PolarHBondContact O-N 2.95Å; D217-D221 PolarHBondContact O-N 3.35Å; D217-V317 WeakPolarHBondContact OD2-CG1 3.23Å; D217-R318 WeakPolarHBondContact OD1-CG 3.47Å; D217-R318 IonicContact OD1-CZ 3.88Å; D217-R318 IonicContact OD1-NH1 3.84Å; D217-R318 PolarHBondContact OD1-NH1 2.89Å |
| 218 | A | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | I75 Y174 V180 L207 D214 Y215 E220 D221 V222 | I75-A218 HydrophobicContact CD1-CB 3.86Å; I75-A218 VanDerWaalsContact CD1-O 3.31Å; I75-A218 WeakPolarHBondContact CD1-O 3.29Å; I75-A218 HydrophobicContact CG1-CB 4.44Å; I75-A218 HydrophobicContact CG2-CB 3.85Å; Y174-A218 HydrophobicContact CE1-CB 3.83Å; Y174-A218 WeakPolarHBondContact OH-CA 3.33Å; V180-A218 HydrophobicContact CB-CB 4.38Å; V180-A218 HydrophobicContact CG1-CB 4.41Å; V180-A218 HydrophobicContact CG2-CB 4.3Å; L207-A218 HydrophobicContact CD2-CB 4.25Å; D214-A218 WeakPolarHBondContact O-CB 3.26Å; D214-A218 PolarHBondContact O-N 2.84Å; Y215-A218 PolarHBondContact O-N 2.74Å; A218-E220 PolarHBondContact O-N 3.15Å; A218-D221 PolarHBondContact O-N 2.97Å; A218-V222 PolarHBondContact O-N 2.84Å |
| 219 | I | 86.3 | Confident | 87.1 | Confident | 14 Ų | 14 | 24.6 Ų | 24.6 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.2 | -72.5 | 165.3 | 0 | 0 | 0 | 111.1 | I75 I104 Y215 F216 D221 V222 V223 | I75-I219 HydrophobicContact CG2-CG1 4.48Å; I104-I219 HydrophobicContact CD1-CG2 4.36Å; I104-I219 HydrophobicContact CG2-CD1 3.74Å; Y215-I219 HydrophobicContact CD1-CD1 3.76Å; Y215-I219 HydrophobicContact CD2-CD1 4.3Å; Y215-I219 HydrophobicContact CE1-CD1 3.24Å; Y215-I219 HydrophobicContact CE2-CD1 3.84Å; Y215-I219 HydrophobicContact CE2-CG1 4.49Å; Y215-I219 HydrophobicContact CG-CD1 4.26Å; Y215-I219 WeakPolarHBondContact O-CG1 3.11Å; Y215-I219 PolarHBondContact O-N 2.82Å; F216-I219 PolarHBondContact O-N 3.15Å; I219-D221 VanDerWaalsContact C-N 3.26Å; I219-D221 PolarHBondContact O-N 3.43Å; I219-V222 VanDerWaalsContact O-CG2 3.32Å; I219-V222 WeakPolarHBondContact O-CG2 3.2Å; I219-V222 PolarHBondContact O-N 2.73Å; I219-V223 HydrophobicContact CG2-CG2 4.08Å; I219-V223 VanDerWaalsContact O-CG2 3.22Å; I219-V223 WeakPolarHBondContact O-CG2 3.31Å; I219-V223 PolarHBondContact O-N 2.8Å |
| 220 | E | 86.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.3 | -28.8 | -178.9 | -65.8 | -153.8 | 170.5 | 0 | 0 | 113.1 | F216 D217 A218 V222 K286 S287 R318 R325 | F216-E220 WeakPolarHBondContact O-CG 3.13Å; F216-E220 PolarHBondContact O-N 2.95Å; D217-E220 PolarHBondContact O-N 2.95Å; A218-E220 PolarHBondContact O-N 3.15Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 2.83Å; E220-K286 HydrophobicContact CB-CB 4.21Å; E220-K286 HydrophobicContact CB-CG 4.43Å; E220-K286 HydrophobicContact CG-CD 4.03Å; E220-K286 HydrophobicContact CG-CG 4.27Å; E220-K286 PolarHBondContact O-N 3.47Å; E220-K286 VanDerWaalsContact O-N 3.15Å; E220-K286 IonicContact OE1-NZ 3.08Å; E220-K286 PolarHBondContact OE1-NZ 2.92Å; E220-S287 PolarHBondContact O-N 3.36Å; E220-R318 IonicContact OE1-CZ 3.94Å; E220-R318 IonicContact OE1-NH1 2.61Å; E220-R318 IonicContact OE1-NH2 3.96Å; E220-R318 PolarHBondContact OE1-NH2 2.98Å; E220-R325 IonicContact OE2-NH1 3.27Å; E220-R325 PolarHBondContact OE2-NH1 3.48Å |
| 221 | D | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.3 | -22.1 | 175.1 | -73.8 | -18.1 | 0 | 0 | 0 | 113.4 | W170 Y174 R179 D217 A218 I219 M285 S287 | W170-D221 PolarHBondContact NE1-O 3.43Å; Y174-D221 HydrophobicContact CD2-CB 3.97Å; Y174-D221 HydrophobicContact CE1-CB 4.49Å; Y174-D221 HydrophobicContact CE2-CB 3.24Å; Y174-D221 VanDerWaalsContact CE2-OD2 3.26Å; Y174-D221 WeakPolarHBondContact CE2-OD2 3.21Å; Y174-D221 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D221 PolarHBondContact OH-OD2 3.4Å; R179-D221 IonicContact CZ-OD1 3.52Å; R179-D221 IonicContact CZ-OD2 3.97Å; R179-D221 VanDerWaalsContact CZ-OD2 3.25Å; R179-D221 IonicContact NE-OD1 3.25Å; R179-D221 IonicContact NE-OD2 3.12Å; R179-D221 PolarHBondContact NE-OD2 3.03Å; R179-D221 IonicContact NH2-OD1 2.71Å; R179-D221 PolarHBondContact NH2-OD1 3.43Å; R179-D221 IonicContact NH2-OD2 2.91Å; R179-D221 PolarHBondContact NH2-OD2 2.69Å; R179-D221 VanDerWaalsContact NH2-OD2 3.12Å; D217-D221 PolarHBondContact O-N 3.35Å; A218-D221 PolarHBondContact O-N 2.97Å; I219-D221 VanDerWaalsContact C-N 3.26Å; I219-D221 PolarHBondContact O-N 3.43Å; D221-M285 VanDerWaalsContact O-CG 3.25Å; D221-M285 WeakPolarHBondContact O-CG 3.18Å; D221-S287 WeakPolarHBondContact OD1-CB 3.37Å; D221-S287 PolarHBondContact OD1-OG 2.95Å |
| 222 | V | 88.7 | Confident | 87.9 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.03 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -101.7 | -9.8 | 179.3 | -59 | 0 | 0 | 0 | 0 | 114.3 | L73 I75 Q171 Y174 A218 I219 E220 | L73-V222 HydrophobicContact CD2-CG2 3.82Å; I75-V222 HydrophobicContact CD1-CB 4.41Å; I75-V222 HydrophobicContact CD1-CG1 3.89Å; I75-V222 HydrophobicContact CD1-CG2 3.61Å; Q171-V222 HydrophobicContact CG-CB 3.98Å; Q171-V222 HydrophobicContact CG-CG1 4.09Å; Q171-V222 HydrophobicContact CG-CG2 4.38Å; Y174-V222 HydrophobicContact CD1-CG1 3.81Å; Y174-V222 HydrophobicContact CD2-CG1 4.28Å; Y174-V222 HydrophobicContact CG-CG1 3.68Å; A218-V222 PolarHBondContact O-N 2.84Å; I219-V222 VanDerWaalsContact O-CG2 3.32Å; I219-V222 WeakPolarHBondContact O-CG2 3.2Å; I219-V222 PolarHBondContact O-N 2.73Å; E220-V222 VanDerWaalsContact C-N 3.3Å; E220-V222 PolarHBondContact O-N 2.83Å |
| 223 | V | 88.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 18.5 Ų | 18.5 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | trans | -88.1 | 111.4 | -179.9 | 166.9 | 0 | 0 | 0 | 0 | 110.1 | N147 I219 M285 K286 | N147-V223 HydrophobicContact CB-CG1 3.8Å; N147-V223 HydrophobicContact CB-CG2 4.35Å; I219-V223 HydrophobicContact CG2-CG2 4.08Å; I219-V223 VanDerWaalsContact O-CG2 3.22Å; I219-V223 WeakPolarHBondContact O-CG2 3.31Å; I219-V223 PolarHBondContact O-N 2.8Å; V223-M285 CarbonylContact O-C 3.57Å; V223-M285 VanDerWaalsContact O-CA 3.27Å; V223-M285 WeakPolarHBondContact O-CA 3.2Å; V223-K286 HydrophobicContact CB-CB 4.06Å; V223-K286 HydrophobicContact CG1-CB 3.9Å; V223-K286 HydrophobicContact CG1-CD 4.17Å; V223-K286 PolarHBondContact O-N 3.19Å | ||
| 224 | V | 89.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.4 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111 | T149 T227 V283 M285 | T149-V224 HydrophobicContact CG2-CG1 4.36Å; T149-V224 VanDerWaalsContact OG1-CB 3.24Å; T149-V224 WeakPolarHBondContact OG1-CB 3.5Å; V224-T227 HydrophobicContact CG1-CG2 3.9Å; V224-V283 HydrophobicContact CB-CG1 4.23Å; V224-V283 HydrophobicContact CG1-CG1 3.61Å; V224-V283 HydrophobicContact CG2-CG1 3.65Å; V224-M285 HydrophobicContact CB-SD 4.47Å; V224-M285 HydrophobicContact CG2-CE 4.22Å; V224-M285 HydrophobicContact CG2-SD 3.77Å |
| 225 | V | 87.7 | Confident | 85.1 | Confident | 26 Ų | 26 | 20.4 Ų | 20.4 | 16% | 0.158 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -38.6 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | L284 K286 | V225-L284 PolarHBondContact N-O 2.89Å; V225-K286 VanDerWaalsContact CG2-CA 3.43Å; V225-K286 HydrophobicContact CG2-CB 3.65Å; V225-K286 HydrophobicContact CG2-CG 4.2Å |
| 226 | Y | 91.3 | Very high | 83.3 | Confident | 35 Ų | 35 | 21.6 Ų | 21.6 | 14% | 0.137 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.6 | 176.7 | -90.8 | -84.1 | 0 | 0 | 0 | 112.8 | L124 L284 N327 Y328 | L124-Y226 HydrophobicContact CD1-CD1 3.98Å; L124-Y226 HydrophobicContact CD1-CE1 3.91Å; L124-Y226 VanDerWaalsContact CD2-CA 3.49Å; L124-Y226 HydrophobicContact CD2-CD1 4.1Å; L124-Y226 HydrophobicContact CD2-CG 4.4Å; Y226-L284 PolarHBondContact N-O 2.76Å; Y226-L284 PolarHBondContact O-N 3.35Å; Y226-N327 VanDerWaalsContact CD2-O 3.23Å; Y226-N327 WeakPolarHBondContact CD2-O 3.31Å; Y226-N327 WeakPolarHBondContact CE2-O 3.2Å; Y226-Y328 HydrophobicContact CE1-CD2 4.44Å |
| 227 | T | 94.4 | Very high | 81.5 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.3 | 170.2 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | S126 S141 T149 V224 L281 A282 V283 | S126-T227 VanDerWaalsContact CB-O 3.3Å; S126-T227 WeakPolarHBondContact CB-O 3.39Å; S126-T227 WeakPolarHBondContact CB-OG1 3.3Å; S126-T227 PolarHBondContact OG-O 3.48Å; S141-T227 WeakPolarHBondContact OG-CB 3.45Å; S141-T227 PolarHBondContact OG-OG1 3.26Å; T149-T227 HydrophobicContact CG2-CG2 4.31Å; V224-T227 HydrophobicContact CG1-CG2 3.9Å; T227-L281 HydrophobicContact CG2-CD1 4.43Å; T227-A282 CarbonylContact C-O 3.58Å; T227-A282 WeakPolarHBondContact CA-O 3.41Å; T227-V283 HydrophobicContact CG2-CG1 4.31Å; T227-V283 HydrophobicContact CG2-CG2 4.4Å |
| 228 | S | 95.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.7 | 177 | -175 | 0 | 0 | 0 | 0 | 111 | A282 K330 L331 | S228-A282 PolarHBondContact N-O 3.14Å; S228-A282 PolarHBondContact O-N 3.2Å; S228-K330 WeakPolarHBondContact OG-CD 3.21Å; S228-L331 PolarHBondContact OG-N 3.16Å |
| 229 | W | 96.2 | Very high | 76.9 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 153.2 | 176.5 | -65.1 | 88 | 0 | 0 | 0 | 112.2 | W127 I139 S141 L151 T279 F280 L281 V295 | W127-W229 VanDerWaalsContact C-CD1 3.42Å; W127-W229 WeakPolarHBondContact O-CB 3.34Å; W127-W229 VanDerWaalsContact O-CD1 3.23Å; I139-W229 HydrophobicContact CD1-CH2 3.62Å; I139-W229 HydrophobicContact CD1-CZ2 4.12Å; I139-W229 HydrophobicContact CD1-CZ3 4.28Å; I139-W229 HydrophobicContact CG1-CH2 4.13Å; I139-W229 HydrophobicContact CG1-CZ2 4.28Å; S141-W229 PolarHBondContact OG-NE1 3.38Å; L151-W229 HydrophobicContact CD1-CH2 4.37Å; L151-W229 HydrophobicContact CD2-CH2 4.45Å; L151-W229 HydrophobicContact CD2-CZ2 3.88Å; W229-T279 HydrophobicContact CE3-CG2 3.7Å; W229-T279 HydrophobicContact CZ3-CG2 3.87Å; W229-F280 WeakPolarHBondContact CA-O 3.47Å; W229-L281 HydrophobicContact CD2-CB 4.27Å; W229-L281 HydrophobicContact CD2-CD1 4.01Å; W229-L281 HydrophobicContact CE3-CB 4Å; W229-L281 HydrophobicContact CG-CD1 4.35Å; W229-L281 HydrophobicContact CH2-CB 4.08Å; W229-L281 HydrophobicContact CH2-CD2 4Å; W229-L281 HydrophobicContact CH2-CG 4.43Å; W229-L281 HydrophobicContact CZ2-CB 4.36Å; W229-L281 HydrophobicContact CZ2-CD1 3.97Å; W229-L281 HydrophobicContact CZ2-CD2 3.9Å; W229-L281 HydrophobicContact CZ2-CG 4.3Å; W229-L281 HydrophobicContact CZ3-CB 3.91Å; W229-V295 HydrophobicContact CH2-CG2 4.04Å; W229-V295 HydrophobicContact CZ3-CB 4.2Å; W229-V295 HydrophobicContact CZ3-CG1 4.48Å; W229-V295 HydrophobicContact CZ3-CG2 3.71Å |
| 230 | C | 93.5 | Very high | 74.4 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.4 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | T279 F280 L331 D333 L339 | C230-T279 CarbonylContact O-C 3.54Å; C230-T279 WeakPolarHBondContact O-CA 3.44Å; C230-F280 PolarHBondContact N-O 3.33Å; C230-F280 PolarHBondContact O-N 3.45Å; C230-L331 HydrophobicContact CB-CB 4.14Å; C230-L331 HydrophobicContact CB-CD2 3.56Å; C230-L331 HydrophobicContact CB-CG 3.62Å; C230-D333 PolarHBondContact SG-N 2.79Å; C230-L339 HydrophobicContact CB-CD2 4.24Å |
| 231 | Q | 89.6 | Confident | 71.9 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.8 | 171 | 173.9 | -178.1 | 73.6 | 0 | 0 | 109 | P129 R130 P277 V278 | P129-Q231 HydrophobicContact CB-CB 3.69Å; P129-Q231 HydrophobicContact CB-CG 4.47Å; P129-Q231 HydrophobicContact CG-CB 3.5Å; P129-Q231 VanDerWaalsContact CG-CB 3.5Å; R130-Q231 PolarHBondContact O-NE2 2.94Å; Q231-P277 HydrophobicContact CG-CB 3.8Å; Q231-V278 WeakPolarHBondContact CA-O 3.44Å |
| 232 | I | 84.4 | Confident | 69.1 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | 175.4 | -68.7 | 176.6 | 0 | 0 | 0 | 108 | R234 P277 V278 F280 D333 N336 L339 I357 | I232-R234 HydrophobicContact CG2-CB 4.13Å; I232-P277 WeakPolarHBondContact O-CA 3.32Å; I232-V278 PolarHBondContact N-O 3.36Å; I232-V278 PolarHBondContact O-N 2.97Å; I232-F280 HydrophobicContact CB-CE2 4.49Å; I232-F280 HydrophobicContact CD1-CE2 4.11Å; I232-F280 HydrophobicContact CG1-CE2 4.41Å; I232-D333 HydrophobicContact CG1-CB 4.01Å; I232-N336 WeakPolarHBondContact CG2-O 3.35Å; I232-L339 HydrophobicContact CD1-CD2 3.46Å; I232-L339 VanDerWaalsContact CD1-CD2 3.46Å; I232-L339 HydrophobicContact CD1-CG 3.88Å; I232-L339 HydrophobicContact CG1-CD2 4.23Å; I232-I357 HydrophobicContact CD1-CD1 3.25Å |
| 233 | V | 70.6 | Confident | 66.2 | Low | 79 Ų | 79 | 58.8 Ų | 58.8 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 109.1 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | L275 P277 | V233-L275 HydrophobicContact CG1-CD2 4.14Å; V233-P277 HydrophobicContact CG2-CB 4.45Å |
| 234 | R | 62.3 | Low | 63.2 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 13% | 0.125 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.3 | -171.9 | -174.7 | 173.1 | -177.7 | -175.1 | 7.3 | 113.4 | I232 I357 | I232-R234 HydrophobicContact CG2-CB 4.13Å; R234-I357 PolarHBondContact NH1-O 3.26Å |
| 235 | Q | 51.2 | Low | 60.2 | Low | 107 Ų | 107 | 72.5 Ų | 72.5 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 123.1 | 163.9 | -82.2 | 177 | -8.1 | 0 | 0 | 107.3 | R237 L275 | Q235-R237 PolarHBondContact O-N 3.04Å; Q235-R237 VanDerWaalsContact O-N 3.09Å; Q235-L275 HydrophobicContact CB-CD2 4.24Å; Q235-L275 HydrophobicContact CG-CD2 3.53Å; Q235-L275 HydrophobicContact CG-CG 3.76Å |
| 236 | P | 47.2 | Very low | 57.3 | Low | 41 Ų | 41 | 79 Ų | 79 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.3 | 178.2 | 23.3 | -31.2 | 0 | 0 | 0 | 109.3 | F273 Y359 | P236-F273 HydrophobicContact CG-CB 3.38Å; P236-F273 HydrophobicContact CG-CD2 4.18Å; P236-F273 HydrophobicContact CG-CG 3.86Å; P236-Y359 HydrophobicContact CB-CD2 4.44Å; P236-Y359 HydrophobicContact CB-CE2 4.01Å |
| 237 | R | 43.9 | Very low | 54.3 | Low | 175 Ų | 175 | 86.6 Ų | 86.6 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 117.3 | 172.9 | -70.6 | -172.5 | 179 | 176.8 | -0.8 | 107.8 | Q235 | Q235-R237 PolarHBondContact O-N 3.04Å; Q235-R237 VanDerWaalsContact O-N 3.09Å |
| 238 | I | 42.4 | Very low | 51.1 | Low | 53 Ų | 53 | 92.3 Ų | 92.3 | 27% | 0.272 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -87 | 123.2 | 173.5 | -60.5 | 140.4 | 0 | 0 | 0 | 108 | S240 I261 F273 | I238-S240 PolarHBondContact O-N 3.19Å; I238-I261 HydrophobicContact CD1-CD1 3.58Å; I238-I261 HydrophobicContact CD1-CG1 3.43Å; I238-I261 VanDerWaalsContact CD1-CG1 3.43Å; I238-I261 HydrophobicContact CG1-CD1 4.12Å; I238-I261 HydrophobicContact CG1-CG1 4.2Å; I238-F273 HydrophobicContact CD1-CE2 4.28Å |
| 239 | K | 34.9 | Very low | 47.9 | Very low | 140 Ų | 140 | 96.6 Ų | 96.6 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 117.1 | 170.4 | -78.6 | -178.6 | 174.2 | 178.3 | 0 | 108.5 | E358 | K239-E358 IonicContact NZ-OE1 3.58Å; K239-E358 PolarHBondContact NZ-OE1 3.3Å; K239-E358 IonicContact NZ-OE2 2.66Å |
| 240 | S | 34.2 | Very low | 44.8 | Very low | 71 Ų | 71 | 101.4 Ų | 101.4 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 131.3 | 171.6 | 136.3 | 0 | 0 | 0 | 0 | 110.4 | I238 H242 | I238-S240 PolarHBondContact O-N 3.19Å; S240-H242 PolarHBondContact OG-N 3.38Å |
| 241 | T | 34.1 | Very low | 41.6 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 71% | 0.712 | 58% | 0.579 | S | S | * | * | trans | -98 | 54.1 | 167.6 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | H | 30.5 | Very low | 38.8 | Very low | 161 Ų | 161 | 113.6 Ų | 113.6 | 75% | 0.745 | 61% | 0.607 | S | S | * | * | trans | -142.9 | 71.2 | 165 | -85 | -66.8 | 0 | 0 | 0 | 111.4 | S240 M244 | S240-H242 PolarHBondContact OG-N 3.38Å; H242-M244 PolarHBondContact O-N 3.2Å | ||
| 243 | S | 28.7 | Very low | 36 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -81.7 | 65.1 | 155.9 | 67.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 244 | M | 26.1 | Very low | 34 | Very low | 157 Ų | 157 | 125 Ų | 125 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -141.3 | 112.2 | 164.4 | -78.5 | -162.5 | -174.8 | 0 | 0 | 109.5 | H242 | H242-M244 PolarHBondContact O-N 3.2Š|
| 245 | N | 26.6 | Very low | 32.3 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 63.6 | 72 | 157.5 | -60.1 | -23.7 | 0 | 0 | 0 | 118.3 | ||||
| 246 | L | 26.8 | Very low | 31.1 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | trans | -116.7 | 76.4 | 140.5 | -109.5 | 93.3 | 0 | 0 | 0 | 109.1 | T248 | L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.79Å | ||
| 247 | K | 27.2 | Very low | 30 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -89.3 | 74.7 | 159.9 | -79 | -173.5 | 176.2 | -178.8 | 0 | 107.8 | ||||
| 248 | T | 28 | Very low | 29.3 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | 173.8 | 91.6 | 160.2 | 40.2 | 0 | 0 | 0 | 0 | 109.7 | L246 | L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.79Å | ||
| 249 | A | 28.6 | Very low | 28.8 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | 178.4 | 110.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 250 | P | 30.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | trans | -78.5 | 150.4 | 172.5 | 32.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 251 | D | 26 | Very low | 28.3 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | 62.8 | 82.8 | 161.6 | -56.3 | -26.4 | 0 | 0 | 0 | 118.8 | ||||
| 252 | I | 29.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 71% | 0.712 | S | S | * | * | trans | -132.8 | 110.6 | 142.6 | -58.8 | -179.4 | 0 | 0 | 0 | 108.9 | N254 | I252-N254 PolarHBondContact O-N 3.24Š| ||
| 253 | N | 26.8 | Very low | 28.4 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -44.9 | 127.3 | 170.7 | -78.2 | -35.8 | 0 | 0 | 0 | 112.9 | N255 | N253-N255 PolarHBondContact O-N 2.79Š| ||
| 254 | N | 28.7 | Very low | 28.6 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 92% | 0.92 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 34.4 | 29.5 | 143.5 | -91.7 | 0.7 | 0 | 0 | 0 | 120.9 | I252 | I252-N254 PolarHBondContact O-N 3.24Š|
| 255 | N | 25.2 | Very low | 29.1 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | trans | -92.7 | 121.7 | 169.2 | -87.1 | -13.6 | 0 | 0 | 0 | 110.2 | N253 S257 | N253-N255 PolarHBondContact O-N 2.79Å; N255-S257 PolarHBondContact O-N 2.9Å | ||
| 256 | M | 26.6 | Very low | 29.5 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -32.7 | 107.3 | 170.4 | -73.1 | -165.5 | -165.9 | 0 | 0 | 111.6 | Y258 | M256-Y258 HydrophobicContact CB-CE2 4.13Å; M256-Y258 WeakPolarHBondContact O-CD2 3.16Å; M256-Y258 PolarHBondContact O-N 3.43Å; M256-Y258 VanDerWaalsContact O-N 3.13Å | ||
| 257 | S | 23.9 | Very low | 29.7 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | -74.3 | 102.5 | 167.5 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | N255 Y259 | N255-S257 PolarHBondContact O-N 2.9Å; S257-Y259 VanDerWaalsContact O-CD2 3.25Å; S257-Y259 WeakPolarHBondContact O-CD2 3.33Å; S257-Y259 WeakPolarHBondContact O-CE2 3.42Å; S257-Y259 PolarHBondContact O-N 3.43Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.4Å; S257-Y259 VanDerWaalsContact OG-CZ 3.24Å; S257-Y259 PolarHBondContact OG-OH 3.23Å | ||
| 258 | Y | 29.8 | Very low | 29.7 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | -69.3 | 114.4 | 163.4 | -65 | -89.1 | 0 | 0 | 0 | 107.8 | M256 | M256-Y258 HydrophobicContact CB-CE2 4.13Å; M256-Y258 WeakPolarHBondContact O-CD2 3.16Å; M256-Y258 PolarHBondContact O-N 3.43Å; M256-Y258 VanDerWaalsContact O-N 3.13Å | ||
| 259 | Y | 32.5 | Very low | 29.7 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 55% | 0.553 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 118.8 | 178.1 | -68 | -80.2 | 0 | 0 | 0 | 110.3 | S257 | S257-Y259 VanDerWaalsContact O-CD2 3.25Å; S257-Y259 WeakPolarHBondContact O-CD2 3.33Å; S257-Y259 WeakPolarHBondContact O-CE2 3.42Å; S257-Y259 PolarHBondContact O-N 3.43Å; S257-Y259 WeakPolarHBondContact OG-CE2 3.4Å; S257-Y259 VanDerWaalsContact OG-CZ 3.24Å; S257-Y259 PolarHBondContact OG-OH 3.23Å |
| 260 | V | 27.3 | Very low | 29.7 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 42% | 0.424 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 131.3 | -174.2 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | P262 | V260-P262 WeakPolarHBondContact O-CD 3.41Š|
| 261 | I | 30.5 | Very low | 29.8 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 35% | 0.349 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -80.4 | 119.6 | 162.7 | -54.3 | -178.8 | 0 | 0 | 0 | 107.1 | I238 V263 | I238-I261 HydrophobicContact CD1-CD1 3.58Å; I238-I261 HydrophobicContact CD1-CG1 3.43Å; I238-I261 VanDerWaalsContact CD1-CG1 3.43Å; I238-I261 HydrophobicContact CG1-CD1 4.12Å; I238-I261 HydrophobicContact CG1-CG1 4.2Å; I261-V263 HydrophobicContact CG2-CG2 4.04Å; I261-V263 PolarHBondContact O-N 2.66Å |
| 262 | P | 25.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | trans | -74.2 | 99.1 | 170.4 | 29.5 | -28.5 | 0 | 0 | 0 | 107.8 | V260 D264 | V260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-D264 VanDerWaalsContact C-N 3.29Å | ||
| 263 | V | 41.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -80.9 | -17.7 | 168.1 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | I261 | I261-V263 HydrophobicContact CG2-CG2 4.04Å; I261-V263 PolarHBondContact O-N 2.66Å |
| 264 | D | 32 | Very low | 31.4 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -164.2 | 142.5 | 164.7 | -123.8 | -28 | 0 | 0 | 0 | 107.6 | P262 T266 Q267 | P262-D264 VanDerWaalsContact C-N 3.29Å; D264-T266 PolarHBondContact O-N 2.57Å; D264-Q267 PolarHBondContact O-N 3.46Å |
| 265 | P | 37.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -2.9 | -176.7 | 22.3 | -28.9 | 0 | 0 | 0 | 114.6 | ||
| 266 | T | 34.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -4.2 | -179.8 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | D264 | D264-T266 PolarHBondContact O-N 2.57Š|
| 267 | Q | 30.1 | Very low | 36.7 | Very low | 143 Ų | 143 | 108.8 Ų | 108.8 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | trans | -128.5 | 101.8 | 178 | -73.9 | -171.9 | -2.9 | 0 | 0 | 112.5 | D264 V269 | D264-Q267 PolarHBondContact O-N 3.46Å; Q267-V269 PolarHBondContact O-N 3.21Å | ||
| 268 | F | 26.8 | Very low | 39.6 | Very low | 173 Ų | 173 | 106.1 Ų | 106.1 | 76% | 0.759 | 58% | 0.575 | S | S | * | * | trans | -75.1 | 95.8 | 167.5 | -68.3 | -87.5 | 0 | 0 | 0 | 109.6 | ||||
| 269 | V | 28.6 | Very low | 42.6 | Very low | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | trans | -93.4 | 105.7 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | Q267 E271 | Q267-V269 PolarHBondContact O-N 3.21Å; V269-E271 VanDerWaalsContact C-N 3.27Å; V269-E271 HydrophobicContact CG1-CB 3.92Å; V269-E271 HydrophobicContact CG1-CG 3.63Å; V269-E271 PolarHBondContact O-N 3.02Å | ||
| 270 | T | 28.8 | Very low | 45.5 | Very low | 126 Ų | 126 | 91.3 Ų | 91.3 | 77% | 0.773 | 52% | 0.517 | S | S | * | . | trans | -90 | 54.6 | 173 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 271 | E | 32.2 | Very low | 48.9 | Very low | 151 Ų | 151 | 88 Ų | 88 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | trans | -90.6 | 111.4 | 173.7 | -75.8 | -176.8 | -177.7 | 0 | 0 | 109.3 | V269 F273 | V269-E271 VanDerWaalsContact C-N 3.27Å; V269-E271 HydrophobicContact CG1-CB 3.92Å; V269-E271 HydrophobicContact CG1-CG 3.63Å; V269-E271 PolarHBondContact O-N 3.02Å; E271-F273 PolarHBondContact O-N 2.88Å | ||
| 272 | S | 34.8 | Very low | 52 | Low | 95 Ų | 95 | 84.8 Ų | 84.8 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | trans | -54.9 | 104.7 | 163.7 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | S274 | S272-S274 PolarHBondContact O-N 3.47Å; S272-S274 VanDerWaalsContact O-N 3.1Å | ||
| 273 | F | 39.6 | Very low | 55.4 | Low | 128 Ų | 128 | 80 Ų | 80 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | -54.7 | 122.1 | 171.2 | -68.6 | -81 | 0 | 0 | 0 | 108.2 | P236 I238 E271 L275 | P236-F273 HydrophobicContact CG-CB 3.38Å; P236-F273 HydrophobicContact CG-CD2 4.18Å; P236-F273 HydrophobicContact CG-CG 3.86Å; I238-F273 HydrophobicContact CD1-CE2 4.28Å; E271-F273 PolarHBondContact O-N 2.88Å; F273-L275 PolarHBondContact O-N 3.37Å | ||
| 274 | S | 41.4 | Very low | 58 | Low | 87 Ų | 87 | 73.8 Ų | 73.8 | 61% | 0.608 | 41% | 0.412 | S | S | * | . | trans | -54.6 | 138.3 | 172.2 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | S272 C276 | S272-S274 PolarHBondContact O-N 3.47Å; S272-S274 VanDerWaalsContact O-N 3.1Å; S274-C276 PolarHBondContact O-N 3.21Å | ||
| 275 | L | 51.4 | Low | 60.9 | Low | 92 Ų | 92 | 69.1 Ų | 69.1 | 48% | 0.482 | 39% | 0.386 | S | S | . | . | trans | -48 | 101.5 | 165.1 | -76.8 | 155.3 | 0 | 0 | 0 | 108.4 | V233 Q235 F273 | V233-L275 HydrophobicContact CG1-CD2 4.14Å; Q235-L275 HydrophobicContact CB-CD2 4.24Å; Q235-L275 HydrophobicContact CG-CD2 3.53Å; Q235-L275 HydrophobicContact CG-CG 3.76Å; F273-L275 PolarHBondContact O-N 3.37Å | ||
| 276 | C | 64.3 | Low | 63.4 | Low | 77 Ų | 77 | 66 Ų | 66 | 52% | 0.52 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.8 | 173.2 | -81.6 | 0 | 0 | 0 | 0 | 107.5 | S274 V278 | S274-C276 PolarHBondContact O-N 3.21Å; C276-V278 PolarHBondContact O-N 2.96Å |
| 277 | P | 77.2 | Confident | 65.9 | Low | 40 Ų | 40 | 60.4 Ų | 60.4 | 26% | 0.26 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.6 | 176.8 | 26 | -32.7 | 0 | 0 | 0 | 109.6 | Q231 I232 V233 | Q231-P277 HydrophobicContact CG-CB 3.8Å; I232-P277 WeakPolarHBondContact O-CA 3.32Å; V233-P277 HydrophobicContact CG2-CB 4.45Å |
| 278 | V | 84.6 | Confident | 68.8 | Low | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.6 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | Q231 I232 C276 F280 M294 L365 | Q231-V278 WeakPolarHBondContact CA-O 3.44Å; I232-V278 PolarHBondContact N-O 3.36Å; I232-V278 PolarHBondContact O-N 2.97Å; C276-V278 PolarHBondContact O-N 2.96Å; V278-F280 HydrophobicContact CB-CE2 3.98Å; V278-F280 HydrophobicContact CB-CZ 4.16Å; V278-F280 HydrophobicContact CG1-CD2 4.31Å; V278-F280 HydrophobicContact CG1-CE1 3.97Å; V278-F280 HydrophobicContact CG1-CE2 3.57Å; V278-F280 HydrophobicContact CG1-CZ 3.38Å; V278-M294 HydrophobicContact CG1-CG 3.93Å; V278-M294 HydrophobicContact CG1-SD 4.36Å; V278-L365 HydrophobicContact CB-CD1 4.23Å; V278-L365 HydrophobicContact CG1-CD1 3.72Å; V278-L365 HydrophobicContact CG2-CD1 3.76Å |
| 279 | T | 92.1 | Very high | 71.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.9 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | V132 W229 C230 V295 | V132-T279 HydrophobicContact CG2-CG2 3.97Å; W229-T279 HydrophobicContact CE3-CG2 3.7Å; W229-T279 HydrophobicContact CZ3-CG2 3.87Å; C230-T279 CarbonylContact O-C 3.54Å; C230-T279 WeakPolarHBondContact O-CA 3.44Å; T279-V295 HydrophobicContact CG2-CB 4.44Å; T279-V295 PolarHBondContact O-N 3.22Å |
| 280 | F | 95.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.3 | -179.1 | -59.6 | -86.3 | 0 | 0 | 0 | 110.7 | W229 C230 I232 V278 I292 W293 L308 L331 L339 I357 L365 L367 | W229-F280 WeakPolarHBondContact CA-O 3.47Å; C230-F280 PolarHBondContact N-O 3.33Å; C230-F280 PolarHBondContact O-N 3.45Å; I232-F280 HydrophobicContact CB-CE2 4.49Å; I232-F280 HydrophobicContact CD1-CE2 4.11Å; I232-F280 HydrophobicContact CG1-CE2 4.41Å; V278-F280 HydrophobicContact CB-CE2 3.98Å; V278-F280 HydrophobicContact CB-CZ 4.16Å; V278-F280 HydrophobicContact CG1-CD2 4.31Å; V278-F280 HydrophobicContact CG1-CE1 3.97Å; V278-F280 HydrophobicContact CG1-CE2 3.57Å; V278-F280 HydrophobicContact CG1-CZ 3.38Å; F280-I292 HydrophobicContact CD1-CG2 4.29Å; F280-W293 CarbonylContact C-O 3.52Å; F280-W293 VanDerWaalsContact CA-O 3.27Å; F280-W293 WeakPolarHBondContact CA-O 3.46Å; F280-L308 HydrophobicContact CD1-CD1 4Å; F280-L308 HydrophobicContact CE1-CD1 3.74Å; F280-L331 HydrophobicContact CB-CD2 3.6Å; F280-L339 HydrophobicContact CD1-CD1 3.89Å; F280-L339 HydrophobicContact CD2-CD1 3.95Å; F280-L339 HydrophobicContact CD2-CD2 3.83Å; F280-L339 HydrophobicContact CD2-CG 4.43Å; F280-L339 HydrophobicContact CE1-CD1 3.95Å; F280-L339 HydrophobicContact CE2-CD1 4.01Å; F280-L339 HydrophobicContact CE2-CD2 4.13Å; F280-L339 HydrophobicContact CE2-CG 4.43Å; F280-L339 HydrophobicContact CG-CD1 3.88Å; F280-L339 HydrophobicContact CG-CD2 4.35Å; F280-L339 HydrophobicContact CZ-CD1 4Å; F280-I357 HydrophobicContact CE2-CD1 3.85Å; F280-I357 HydrophobicContact CZ-CD1 3.65Å; F280-I357 HydrophobicContact CZ-CG1 4.21Å; F280-L365 HydrophobicContact CE1-CD2 3.77Å; F280-L365 HydrophobicContact CZ-CD1 4.29Å; F280-L365 HydrophobicContact CZ-CD2 3.94Å; F280-L367 HydrophobicContact CE1-CD2 4.31Å |
| 281 | L | 96.9 | Very high | 78.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.3 | 173.5 | 168.4 | 62.8 | 0 | 0 | 0 | 109 | L151 L166 T227 W229 V283 I292 W293 V295 M305 | L151-L281 HydrophobicContact CD1-CD2 4.49Å; L151-L281 HydrophobicContact CD2-CD2 4.1Å; L166-L281 HydrophobicContact CD2-CD2 3.98Å; T227-L281 HydrophobicContact CG2-CD1 4.43Å; W229-L281 HydrophobicContact CD2-CB 4.27Å; W229-L281 HydrophobicContact CD2-CD1 4.01Å; W229-L281 HydrophobicContact CE3-CB 4Å; W229-L281 HydrophobicContact CG-CD1 4.35Å; W229-L281 HydrophobicContact CH2-CB 4.08Å; W229-L281 HydrophobicContact CH2-CD2 4Å; W229-L281 HydrophobicContact CH2-CG 4.43Å; W229-L281 HydrophobicContact CZ2-CB 4.36Å; W229-L281 HydrophobicContact CZ2-CD1 3.97Å; W229-L281 HydrophobicContact CZ2-CD2 3.9Å; W229-L281 HydrophobicContact CZ2-CG 4.3Å; W229-L281 HydrophobicContact CZ3-CB 3.91Å; L281-V283 HydrophobicContact CD1-CG2 4.38Å; L281-V283 HydrophobicContact CD2-CG2 4.32Å; L281-V283 HydrophobicContact CG-CG2 3.97Å; L281-I292 WeakPolarHBondContact O-CA 3.24Å; L281-W293 HydrophobicContact CB-CB 4.24Å; L281-W293 PolarHBondContact N-O 3.48Å; L281-W293 PolarHBondContact O-N 2.88Å; L281-V295 HydrophobicContact CB-CG2 4.43Å; L281-M305 HydrophobicContact CD2-CE 4.36Å |
| 282 | A | 97.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 136.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T227 S228 C291 I292 I329 L331 L341 | T227-A282 CarbonylContact C-O 3.58Å; T227-A282 WeakPolarHBondContact CA-O 3.41Å; S228-A282 PolarHBondContact N-O 3.14Å; S228-A282 PolarHBondContact O-N 3.2Å; A282-C291 CarbonylContact C-O 3.5Å; A282-C291 WeakPolarHBondContact CA-O 3.48Å; A282-I292 HydrophobicContact CB-CG1 4.46Å; A282-I329 HydrophobicContact CB-CD1 4.09Å; A282-I329 HydrophobicContact CB-CG1 4.5Å; A282-L331 HydrophobicContact CB-CB 4.18Å; A282-L331 HydrophobicContact CB-CD2 4.19Å; A282-L341 HydrophobicContact CB-CD1 4.12Å |
| 283 | V | 96.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.6 | -178.9 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | L166 V224 T227 L281 M285 F290 C291 | L166-V283 HydrophobicContact CD2-CG2 3.94Å; V224-V283 HydrophobicContact CB-CG1 4.23Å; V224-V283 HydrophobicContact CG1-CG1 3.61Å; V224-V283 HydrophobicContact CG2-CG1 3.65Å; T227-V283 HydrophobicContact CG2-CG1 4.31Å; T227-V283 HydrophobicContact CG2-CG2 4.4Å; L281-V283 HydrophobicContact CD1-CG2 4.38Å; L281-V283 HydrophobicContact CD2-CG2 4.32Å; L281-V283 HydrophobicContact CG-CG2 3.97Å; V283-M285 HydrophobicContact CB-CE 4.14Å; V283-M285 HydrophobicContact CG1-CE 3.51Å; V283-M285 HydrophobicContact CG1-SD 4.16Å; V283-F290 CarbonylContact O-C 3.59Å; V283-F290 WeakPolarHBondContact O-CA 3.5Å; V283-F290 VanDerWaalsContact O-CB 3.32Å; V283-F290 WeakPolarHBondContact O-CB 3.46Å; V283-C291 PolarHBondContact N-O 3.1Å; V283-C291 PolarHBondContact O-N 2.76Å |
| 284 | L | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.7 | 175.2 | 173.2 | 68.4 | 0 | 0 | 0 | 109.4 | V225 Y226 F290 P326 I329 | V225-L284 PolarHBondContact N-O 2.89Å; Y226-L284 PolarHBondContact N-O 2.76Å; Y226-L284 PolarHBondContact O-N 3.35Å; L284-F290 HydrophobicContact CD1-CB 4.31Å; L284-P326 HydrophobicContact CD1-CB 4.04Å; L284-P326 HydrophobicContact CD1-CG 3.79Å; L284-I329 HydrophobicContact CB-CB 4.08Å; L284-I329 HydrophobicContact CB-CD1 4.21Å; L284-I329 HydrophobicContact CB-CG2 3.63Å; L284-I329 HydrophobicContact CD2-CB 4.29Å; L284-I329 HydrophobicContact CD2-CG2 4.35Å |
| 285 | M | 93.4 | Very high | 89 | Confident | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 160.4 | 177.7 | -51.6 | -58.5 | 169.7 | 0 | 0 | 111 | W170 D221 V223 V224 V283 S287 G288 A289 | W170-M285 HydrophobicContact CD2-CE 3.69Å; W170-M285 VanDerWaalsContact CE2-CE 3.44Å; W170-M285 HydrophobicContact CE3-CE 4.37Å; W170-M285 HydrophobicContact CG-CE 3.88Å; W170-M285 HydrophobicContact CZ2-CE 3.93Å; W170-M285 HydrophobicContact CZ2-CG 4.47Å; D221-M285 VanDerWaalsContact O-CG 3.25Å; D221-M285 WeakPolarHBondContact O-CG 3.18Å; V223-M285 CarbonylContact O-C 3.57Å; V223-M285 VanDerWaalsContact O-CA 3.27Å; V223-M285 WeakPolarHBondContact O-CA 3.2Å; V224-M285 HydrophobicContact CB-SD 4.47Å; V224-M285 HydrophobicContact CG2-CE 4.22Å; V224-M285 HydrophobicContact CG2-SD 3.77Å; V283-M285 HydrophobicContact CB-CE 4.14Å; V283-M285 HydrophobicContact CG1-CE 3.51Å; V283-M285 HydrophobicContact CG1-SD 4.16Å; M285-S287 VanDerWaalsContact C-N 3.25Å; M285-S287 PolarHBondContact O-N 3.01Å; M285-G288 PolarHBondContact O-N 3.25Å; M285-G288 VanDerWaalsContact O-N 3.08Å; M285-A289 HydrophobicContact CB-CB 4.21Å; M285-A289 WeakPolarHBondContact CB-O 3.47Å; M285-A289 HydrophobicContact CG-CB 4.28Å; M285-A289 PolarHBondContact N-O 3.34Å |
| 286 | K | 89.1 | Confident | 90.6 | Very high | 52 Ų | 52 | 13.3 Ų | 13.3 | 23% | 0.226 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -34.9 | -178.6 | -173.7 | -179.7 | 178 | -130.6 | 0 | 111.7 | N99 E220 V223 V225 G288 R325 | N99-K286 PolarHBondContact OD1-NZ 3.44Å; E220-K286 HydrophobicContact CB-CB 4.21Å; E220-K286 HydrophobicContact CB-CG 4.43Å; E220-K286 HydrophobicContact CG-CD 4.03Å; E220-K286 HydrophobicContact CG-CG 4.27Å; E220-K286 PolarHBondContact O-N 3.47Å; E220-K286 VanDerWaalsContact O-N 3.15Å; E220-K286 IonicContact OE1-NZ 3.08Å; E220-K286 PolarHBondContact OE1-NZ 2.92Å; V223-K286 HydrophobicContact CB-CB 4.06Å; V223-K286 HydrophobicContact CG1-CB 3.9Å; V223-K286 HydrophobicContact CG1-CD 4.17Å; V223-K286 PolarHBondContact O-N 3.19Å; V225-K286 VanDerWaalsContact CG2-CA 3.43Å; V225-K286 HydrophobicContact CG2-CB 3.65Å; V225-K286 HydrophobicContact CG2-CG 4.2Å; K286-G288 PolarHBondContact O-N 3.03Å; K286-R325 WeakPolarHBondContact O-CD 3.21Å; K286-R325 PolarHBondContact O-NH1 3.05Å |
| 287 | S | 88.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.1 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | E220 D221 M285 A289 T315 V316 | E220-S287 PolarHBondContact O-N 3.36Å; D221-S287 WeakPolarHBondContact OD1-CB 3.37Å; D221-S287 PolarHBondContact OD1-OG 2.95Å; M285-S287 VanDerWaalsContact C-N 3.25Å; M285-S287 PolarHBondContact O-N 3.01Å; S287-A289 PolarHBondContact OG-N 3.41Å; S287-T315 CarbonylContact O-C 3.6Å; S287-T315 VanDerWaalsContact O-CA 3.27Å; S287-T315 WeakPolarHBondContact O-CA 3.35Å; S287-V316 PolarHBondContact O-N 2.9Å |
| 288 | G | 90.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 104.3 | -5.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M285 K286 P326 | M285-G288 PolarHBondContact O-N 3.25Å; M285-G288 VanDerWaalsContact O-N 3.08Å; K286-G288 PolarHBondContact O-N 3.03Å; G288-P326 WeakPolarHBondContact O-CG 3.42Å |
| 289 | A | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | trans | -65.5 | 149.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M285 S287 D311 Y312 T315 | M285-A289 HydrophobicContact CB-CB 4.21Å; M285-A289 WeakPolarHBondContact CB-O 3.47Å; M285-A289 HydrophobicContact CG-CB 4.28Å; M285-A289 PolarHBondContact N-O 3.34Å; S287-A289 PolarHBondContact OG-N 3.41Å; A289-D311 CarbonylContact C-O 3.55Å; A289-D311 VanDerWaalsContact CA-O 3.23Å; A289-D311 WeakPolarHBondContact CA-O 3.43Å; A289-Y312 HydrophobicContact CB-CD1 3.56Å; A289-Y312 HydrophobicContact CB-CE1 3.88Å; A289-Y312 HydrophobicContact CB-CG 4.45Å; A289-T315 HydrophobicContact CB-CG2 3.62Å | ||
| 290 | F | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.6 | 171.3 | 68.4 | -89.5 | 0 | 0 | 0 | 111.7 | V283 L284 D311 Y314 I329 L341 L343 L353 F355 | V283-F290 CarbonylContact O-C 3.59Å; V283-F290 WeakPolarHBondContact O-CA 3.5Å; V283-F290 VanDerWaalsContact O-CB 3.32Å; V283-F290 WeakPolarHBondContact O-CB 3.46Å; L284-F290 HydrophobicContact CD1-CB 4.31Å; F290-D311 HydrophobicContact CD1-CB 3.99Å; F290-D311 HydrophobicContact CD2-CB 4.28Å; F290-D311 HydrophobicContact CE1-CB 3.48Å; F290-D311 VanDerWaalsContact CE1-CB 3.48Å; F290-D311 HydrophobicContact CE2-CB 3.8Å; F290-D311 HydrophobicContact CG-CB 4.37Å; F290-D311 HydrophobicContact CZ-CB 3.36Å; F290-D311 WeakPolarHBondContact CZ-OD2 3.49Å; F290-D311 PolarHBondContact N-O 3.46Å; F290-D311 PolarHBondContact O-N 2.97Å; F290-Y314 HydrophobicContact CE1-CD2 4.06Å; F290-Y314 HydrophobicContact CE1-CE2 4.12Å; F290-I329 HydrophobicContact CB-CD1 3.91Å; F290-I329 HydrophobicContact CD2-CD1 4.48Å; F290-I329 HydrophobicContact CG-CD1 4.28Å; F290-L341 HydrophobicContact CD2-CD2 3.81Å; F290-L341 HydrophobicContact CE2-CD2 3.56Å; F290-L341 HydrophobicContact CZ-CD2 4.09Å; F290-L343 HydrophobicContact CE1-CD1 4.19Å; F290-L353 HydrophobicContact CE1-CD1 4.16Å; F290-L353 HydrophobicContact CZ-CD1 3.66Å; F290-F355 HydrophobicContact CE2-CZ 4.14Å |
| 291 | C | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.5 | 174.6 | 63.9 | 0 | 0 | 0 | 0 | 112 | W170 A282 V283 W293 L307 W309 V310 | W170-C291 HydrophobicContact CH2-CB 4.14Å; W170-C291 HydrophobicContact CZ3-CB 3.97Å; A282-C291 CarbonylContact C-O 3.5Å; A282-C291 WeakPolarHBondContact CA-O 3.48Å; V283-C291 PolarHBondContact N-O 3.1Å; V283-C291 PolarHBondContact O-N 2.76Å; C291-W293 PolarHBondContact SG-NE1 2.75Å; C291-L307 HydrophobicContact CB-CD1 3.93Å; C291-W309 CarbonylContact C-O 3.12Å; C291-W309 WeakPolarHBondContact CA-O 3.15Å; C291-W309 VanDerWaalsContact CB-O 3.22Å; C291-W309 WeakPolarHBondContact CB-O 3.23Å; C291-V310 HydrophobicContact CB-CG2 4.01Å |
| 292 | I | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.4 | 178.1 | -56.6 | 175.3 | 0 | 0 | 0 | 108.5 | F280 L281 A282 L308 W309 F355 L367 | F280-I292 HydrophobicContact CD1-CG2 4.29Å; L281-I292 WeakPolarHBondContact O-CA 3.24Å; A282-I292 HydrophobicContact CB-CG1 4.46Å; I292-L308 WeakPolarHBondContact O-CB 3.47Å; I292-L308 PolarHBondContact O-N 3.14Å; I292-W309 HydrophobicContact CB-CB 4.15Å; I292-W309 HydrophobicContact CG1-CB 4.45Å; I292-W309 PolarHBondContact N-O 3.31Å; I292-W309 PolarHBondContact O-N 2.99Å; I292-F355 HydrophobicContact CD1-CD1 4.4Å; I292-F355 HydrophobicContact CD1-CD2 4.14Å; I292-F355 HydrophobicContact CD1-CE1 4.08Å; I292-F355 HydrophobicContact CD1-CE2 3.82Å; I292-F355 HydrophobicContact CD1-CG 4.43Å; I292-F355 HydrophobicContact CD1-CZ 3.79Å; I292-L367 HydrophobicContact CB-CD1 4.15Å; I292-L367 HydrophobicContact CD1-CD1 3.93Å; I292-L367 HydrophobicContact CG2-CD1 3.93Å |
| 293 | W | 94.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.4 | 176.1 | -62.2 | 80.2 | 0 | 0 | 0 | 109.9 | L166 I169 W170 F280 L281 C291 M305 S306 L307 | L166-W293 HydrophobicContact CD1-CD2 4.45Å; L166-W293 HydrophobicContact CD1-CZ2 3.98Å; I169-W293 HydrophobicContact CG2-CH2 3.67Å; I169-W293 HydrophobicContact CG2-CZ2 4.48Å; I169-W293 HydrophobicContact CG2-CZ3 4.28Å; W170-W293 HydrophobicContact CE3-CZ2 4.22Å; F280-W293 CarbonylContact C-O 3.52Å; F280-W293 VanDerWaalsContact CA-O 3.27Å; F280-W293 WeakPolarHBondContact CA-O 3.46Å; L281-W293 HydrophobicContact CB-CB 4.24Å; L281-W293 PolarHBondContact N-O 3.48Å; L281-W293 PolarHBondContact O-N 2.88Å; C291-W293 PolarHBondContact SG-NE1 2.75Å; W293-M305 HydrophobicContact CB-CE 4.43Å; W293-M305 HydrophobicContact CD2-CE 4.07Å; W293-M305 HydrophobicContact CE3-CB 4.19Å; W293-M305 HydrophobicContact CE3-CE 4.01Å; W293-M305 HydrophobicContact CG-CE 4.27Å; W293-S306 CarbonylContact C-O 3.43Å; W293-S306 WeakPolarHBondContact CA-O 3.39Å; W293-L307 HydrophobicContact CD2-CB 4.34Å; W293-L307 HydrophobicContact CD2-CD1 3.85Å; W293-L307 HydrophobicContact CE3-CB 3.9Å; W293-L307 HydrophobicContact CE3-CD1 4.28Å; W293-L307 HydrophobicContact CG-CD1 4.33Å; W293-L307 HydrophobicContact CH2-CB 3.97Å; W293-L307 HydrophobicContact CH2-CD1 4.15Å; W293-L307 HydrophobicContact CH2-CD2 4.43Å; W293-L307 HydrophobicContact CH2-CG 4.4Å; W293-L307 HydrophobicContact CZ2-CB 4.42Å; W293-L307 HydrophobicContact CZ2-CD1 3.72Å; W293-L307 HydrophobicContact CZ2-CG 4.42Å; W293-L307 HydrophobicContact CZ3-CB 3.7Å; W293-L307 HydrophobicContact CZ3-CD1 4.42Å |
| 294 | M | 91.7 | Very high | 89.7 | Confident | 27 Ų | 27 | 24.8 Ų | 24.8 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 139.6 | 159.1 | -154.6 | -163.6 | -49.5 | 0 | 0 | 109.1 | V278 M305 S306 L308 L365 | V278-M294 HydrophobicContact CG1-CG 3.93Å; V278-M294 HydrophobicContact CG1-SD 4.36Å; M294-M305 WeakPolarHBondContact O-CA 3.47Å; M294-S306 PolarHBondContact N-O 3.44Å; M294-S306 PolarHBondContact O-N 3.3Å; M294-L308 HydrophobicContact CB-CD1 3.73Å; M294-L308 HydrophobicContact CB-CD2 4.33Å; M294-L308 HydrophobicContact CB-CG 3.94Å; M294-L308 HydrophobicContact CE-CD1 4.25Å; M294-L308 HydrophobicContact CE-CD2 3.72Å; M294-L308 HydrophobicContact CE-CG 4.4Å; M294-L308 HydrophobicContact CG-CD1 4.28Å; M294-L365 HydrophobicContact CE-CB 3.69Å; M294-L365 HydrophobicContact CE-CD2 3.89Å; M294-L365 HydrophobicContact CE-CG 4.36Å; M294-L365 HydrophobicContact SD-CB 4.38Å |
| 295 | V | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.5 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V132 W229 T279 L281 F299 S304 | V132-V295 HydrophobicContact CG1-CG1 4.37Å; W229-V295 HydrophobicContact CH2-CG2 4.04Å; W229-V295 HydrophobicContact CZ3-CB 4.2Å; W229-V295 HydrophobicContact CZ3-CG1 4.48Å; W229-V295 HydrophobicContact CZ3-CG2 3.71Å; T279-V295 HydrophobicContact CG2-CB 4.44Å; T279-V295 PolarHBondContact O-N 3.22Å; L281-V295 HydrophobicContact CB-CG2 4.43Å; V295-F299 HydrophobicContact CG1-CB 4.37Å; V295-F299 HydrophobicContact CG1-CD2 3.6Å; V295-F299 HydrophobicContact CG1-CE2 4.32Å; V295-F299 HydrophobicContact CG1-CG 4.38Å; V295-S304 CarbonylContact C-O 3.59Å; V295-S304 WeakPolarHBondContact CA-O 3.33Å |
| 296 | S | 86 | Confident | 89.3 | Confident | 53 Ų | 53 | 27.9 Ų | 27.9 | 37% | 0.371 | 18% | 0.178 | S | C | . | . | trans | -67.4 | 136.4 | 175 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | P298 F299 S304 | S296-P298 CarbonylContact O-C 3.57Å; S296-P298 VanDerWaalsContact O-C 3.25Å; S296-F299 PolarHBondContact O-N 2.94Å; S296-S304 PolarHBondContact N-O 3.37Å | ||
| 297 | V | 83.8 | Confident | 89.5 | Confident | 51 Ų | 51 | 26 Ų | 26 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -104.1 | 128.7 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | G131 | G131-V297 WeakPolarHBondContact O-CG1 3.09Š|
| 298 | P | 83.5 | Confident | 89.6 | Confident | 73 Ų | 73 | 26.8 Ų | 26.8 | 47% | 0.474 | 18% | 0.175 | S | C | . | . | S | Bend | cis | -75.6 | 145.3 | -1.2 | 31.4 | -34.7 | 0 | 0 | 0 | 113.1 | V132 K134 S296 S300 | V132-P298 CarbonylContact O-C 3.57Å; V132-P298 WeakPolarHBondContact O-CA 3.36Å; K134-P298 HydrophobicContact CB-CB 4.06Å; S296-P298 CarbonylContact O-C 3.57Å; S296-P298 VanDerWaalsContact O-C 3.25Å; P298-S300 PolarHBondContact O-N 3.42Å |
| 299 | F | 87.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 121.3 | 173.1 | -179.6 | -103.5 | 0 | 0 | 0 | 110.4 | V132 I139 L151 T153 V164 V295 S296 G301 M305 | V132-F299 HydrophobicContact CG1-CB 4.08Å; V132-F299 WeakPolarHBondContact O-CB 3.44Å; V132-F299 PolarHBondContact O-N 2.94Å; I139-F299 HydrophobicContact CD1-CD1 4.1Å; I139-F299 HydrophobicContact CD1-CD2 4.35Å; I139-F299 HydrophobicContact CD1-CE1 4.34Å; I139-F299 HydrophobicContact CD1-CG 4.07Å; I139-F299 HydrophobicContact CG2-CD1 4.5Å; L151-F299 HydrophobicContact CB-CZ 4.32Å; L151-F299 HydrophobicContact CD1-CE2 4.1Å; L151-F299 HydrophobicContact CD1-CZ 3.95Å; T153-F299 HydrophobicContact CG2-CD1 3.64Å; T153-F299 HydrophobicContact CG2-CE1 3.68Å; V164-F299 HydrophobicContact CB-CZ 4.32Å; V164-F299 HydrophobicContact CG2-CE1 4.41Å; V164-F299 HydrophobicContact CG2-CE2 4.23Å; V164-F299 HydrophobicContact CG2-CZ 3.53Å; V295-F299 HydrophobicContact CG1-CB 4.37Å; V295-F299 HydrophobicContact CG1-CD2 3.6Å; V295-F299 HydrophobicContact CG1-CE2 4.32Å; V295-F299 HydrophobicContact CG1-CG 4.38Å; S296-F299 PolarHBondContact O-N 2.94Å; F299-G301 WeakPolarHBondContact CE2-O 3.35Å; F299-M305 HydrophobicContact CE2-CG 3.96Å; F299-M305 HydrophobicContact CE2-SD 4.17Å |
| 300 | S | 83.7 | Confident | 89.7 | Confident | 92 Ų | 92 | 27 Ų | 27 | 64% | 0.643 | 18% | 0.175 | S | C | * | . | trans | -119.6 | 8.4 | -179.6 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | P298 S304 | P298-S300 PolarHBondContact O-N 3.42Å; S300-S304 PolarHBondContact N-OG 3.34Å; S300-S304 PolarHBondContact OG-OG 3.11Å | ||
| 301 | G | 86.7 | Confident | 89.6 | Confident | 10 Ų | 10 | 27.4 Ų | 27.4 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 117.4 | -152.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F299 S303 S304 | F299-G301 WeakPolarHBondContact CE2-O 3.35Å; G301-S303 VanDerWaalsContact C-N 3.28Å; G301-S303 PolarHBondContact O-N 2.88Å; G301-S304 WeakPolarHBondContact O-CB 3.46Å; G301-S304 PolarHBondContact O-N 2.9Å |
| 302 | V | 86.5 | Confident | 89.4 | Confident | 35 Ų | 35 | 28.1 Ų | 28.1 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -64 | -32.4 | -170.7 | -168.7 | 0 | 0 | 0 | 0 | 113.2 | V164 I169 F196 S304 M305 | V164-V302 HydrophobicContact CB-CG2 4.34Å; V164-V302 HydrophobicContact CG1-CG2 3.97Å; V164-V302 HydrophobicContact CG2-CB 4.44Å; V164-V302 HydrophobicContact CG2-CG2 3.7Å; I169-V302 HydrophobicContact CD1-CB 4.31Å; I169-V302 HydrophobicContact CD1-CG1 3.49Å; I169-V302 VanDerWaalsContact CD1-CG1 3.49Å; I169-V302 HydrophobicContact CD1-CG2 3.88Å; I169-V302 HydrophobicContact CG1-CG1 4.29Å; F196-V302 HydrophobicContact CB-CG1 3.69Å; F196-V302 HydrophobicContact CD1-CB 3.85Å; F196-V302 HydrophobicContact CD1-CG1 3.24Å; F196-V302 HydrophobicContact CD1-CG2 4.08Å; F196-V302 HydrophobicContact CE1-CB 4.24Å; F196-V302 HydrophobicContact CE1-CG1 3.95Å; F196-V302 HydrophobicContact CE1-CG2 3.95Å; F196-V302 HydrophobicContact CG-CG1 3.6Å; V302-S304 PolarHBondContact O-N 3.38Å; V302-S304 VanDerWaalsContact O-N 3.13Å; V302-M305 WeakPolarHBondContact O-CB 3.33Å; V302-M305 PolarHBondContact O-N 3.23Å |
| 303 | S | 85.5 | Confident | 89 | Confident | 102 Ų | 102 | 31.4 Ų | 31.4 | 71% | 0.713 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -62.1 | -19.4 | 176.6 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | G301 M305 | G301-S303 VanDerWaalsContact C-N 3.28Å; G301-S303 PolarHBondContact O-N 2.88Å; S303-M305 VanDerWaalsContact C-N 3.3Å |
| 304 | S | 87.4 | Confident | 88.7 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -86.1 | -1.1 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | V295 S296 S300 G301 V302 | V295-S304 CarbonylContact C-O 3.59Å; V295-S304 WeakPolarHBondContact CA-O 3.33Å; S296-S304 PolarHBondContact N-O 3.37Å; S300-S304 PolarHBondContact N-OG 3.34Å; S300-S304 PolarHBondContact OG-OG 3.11Å; G301-S304 WeakPolarHBondContact O-CB 3.46Å; G301-S304 PolarHBondContact O-N 2.9Å; V302-S304 PolarHBondContact O-N 3.38Å; V302-S304 VanDerWaalsContact O-N 3.13Å |
| 305 | M | 89.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.9 | -177.8 | -61.6 | -174.3 | 67.1 | 0 | 0 | 110.8 | L151 V164 L166 L281 W293 M294 F299 V302 S303 | L151-M305 HydrophobicContact CD1-CE 3.79Å; L151-M305 HydrophobicContact CD1-SD 3.52Å; L151-M305 VanDerWaalsContact CD1-SD 3.52Å; V164-M305 HydrophobicContact CB-SD 4.42Å; V164-M305 HydrophobicContact CG1-SD 3.84Å; V164-M305 HydrophobicContact CG2-SD 4.34Å; L166-M305 HydrophobicContact CD1-CE 3.75Å; L281-M305 HydrophobicContact CD2-CE 4.36Å; W293-M305 HydrophobicContact CB-CE 4.43Å; W293-M305 HydrophobicContact CD2-CE 4.07Å; W293-M305 HydrophobicContact CE3-CB 4.19Å; W293-M305 HydrophobicContact CE3-CE 4.01Å; W293-M305 HydrophobicContact CG-CE 4.27Å; M294-M305 WeakPolarHBondContact O-CA 3.47Å; F299-M305 HydrophobicContact CE2-CG 3.96Å; F299-M305 HydrophobicContact CE2-SD 4.17Å; V302-M305 WeakPolarHBondContact O-CB 3.33Å; V302-M305 PolarHBondContact O-N 3.23Å; S303-M305 VanDerWaalsContact C-N 3.3Å |
| 306 | S | 89.7 | Confident | 88 | Confident | 52 Ų | 52 | 33.3 Ų | 33.3 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 125.7 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | W293 M294 L308 | W293-S306 CarbonylContact C-O 3.43Å; W293-S306 WeakPolarHBondContact CA-O 3.39Å; M294-S306 PolarHBondContact N-O 3.44Å; M294-S306 PolarHBondContact O-N 3.3Å; S306-L308 PolarHBondContact O-N 3.25Å |
| 307 | L | 92.6 | Very high | 87.5 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.8 | 176.7 | -174.5 | 60.9 | 0 | 0 | 0 | 108.7 | W170 Y173 P192 C291 W293 V310 | W170-L307 HydrophobicContact CZ3-CD1 4.49Å; W170-L307 HydrophobicContact CZ3-CD2 4.33Å; Y173-L307 HydrophobicContact CD1-CD2 4.25Å; Y173-L307 HydrophobicContact CD2-CD2 3.81Å; Y173-L307 HydrophobicContact CE1-CD2 4.21Å; Y173-L307 HydrophobicContact CE2-CD2 3.76Å; Y173-L307 HydrophobicContact CG-CD2 4.05Å; P192-L307 HydrophobicContact CB-CD2 3.78Å; P192-L307 HydrophobicContact CB-CG 4.07Å; P192-L307 HydrophobicContact CG-CB 4.09Å; P192-L307 HydrophobicContact CG-CD2 3.82Å; P192-L307 HydrophobicContact CG-CG 3.53Å; C291-L307 HydrophobicContact CB-CD1 3.93Å; W293-L307 HydrophobicContact CD2-CB 4.34Å; W293-L307 HydrophobicContact CD2-CD1 3.85Å; W293-L307 HydrophobicContact CE3-CB 3.9Å; W293-L307 HydrophobicContact CE3-CD1 4.28Å; W293-L307 HydrophobicContact CG-CD1 4.33Å; W293-L307 HydrophobicContact CH2-CB 3.97Å; W293-L307 HydrophobicContact CH2-CD1 4.15Å; W293-L307 HydrophobicContact CH2-CD2 4.43Å; W293-L307 HydrophobicContact CH2-CG 4.4Å; W293-L307 HydrophobicContact CZ2-CB 4.42Å; W293-L307 HydrophobicContact CZ2-CD1 3.72Å; W293-L307 HydrophobicContact CZ2-CG 4.42Å; W293-L307 HydrophobicContact CZ3-CB 3.7Å; W293-L307 HydrophobicContact CZ3-CD1 4.42Å; L307-V310 HydrophobicContact CD1-CG2 4.01Å; L307-V310 HydrophobicContact CD2-CG2 3.76Å; L307-V310 HydrophobicContact CG-CG2 4.12Å |
| 308 | L | 91.1 | Very high | 86.8 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -34 | -176.6 | -68.3 | -178.1 | 0 | 0 | 0 | 113.3 | P192 F280 I292 M294 S306 L365 L367 | P192-L308 WeakPolarHBondContact CD-O 3.41Å; F280-L308 HydrophobicContact CD1-CD1 4Å; F280-L308 HydrophobicContact CE1-CD1 3.74Å; I292-L308 WeakPolarHBondContact O-CB 3.47Å; I292-L308 PolarHBondContact O-N 3.14Å; M294-L308 HydrophobicContact CB-CD1 3.73Å; M294-L308 HydrophobicContact CB-CD2 4.33Å; M294-L308 HydrophobicContact CB-CG 3.94Å; M294-L308 HydrophobicContact CE-CD1 4.25Å; M294-L308 HydrophobicContact CE-CD2 3.72Å; M294-L308 HydrophobicContact CE-CG 4.4Å; M294-L308 HydrophobicContact CG-CD1 4.28Å; S306-L308 PolarHBondContact O-N 3.25Å; L308-L365 HydrophobicContact CD1-CD2 3.92Å; L308-L367 HydrophobicContact CB-CD1 4.02Å; L308-L367 HydrophobicContact CB-CG 4.27Å; L308-L367 HydrophobicContact CD1-CD1 4.2Å; L308-L367 HydrophobicContact CD1-CG 4.07Å |
| 309 | W | 93.1 | Very high | 86 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 139.1 | -172 | -165 | -89.2 | 0 | 0 | 0 | 110.9 | V188 C291 I292 F355 L367 P370 | V188-W309 HydrophobicContact CG1-CH2 4.07Å; V188-W309 HydrophobicContact CG1-CZ2 3.3Å; C291-W309 CarbonylContact C-O 3.12Å; C291-W309 WeakPolarHBondContact CA-O 3.15Å; C291-W309 VanDerWaalsContact CB-O 3.22Å; C291-W309 WeakPolarHBondContact CB-O 3.23Å; I292-W309 HydrophobicContact CB-CB 4.15Å; I292-W309 HydrophobicContact CG1-CB 4.45Å; I292-W309 PolarHBondContact N-O 3.31Å; I292-W309 PolarHBondContact O-N 2.99Å; W309-F355 AromaticContact CD2-CE1 3.89Å; W309-F355 HydrophobicContact CD2-CE1 3.89Å; W309-F355 AromaticContact CE2-CE1 3.83Å; W309-F355 HydrophobicContact CE3-CE1 4.39Å; W309-F355 HydrophobicContact CG-CE1 4.1Å; W309-F355 HydrophobicContact CZ2-CE1 4.29Å; W309-F355 AromaticContact NE1-CE1 3.96Å; W309-L367 HydrophobicContact CB-CD1 4.25Å; W309-L367 HydrophobicContact CE3-CB 4.27Å; W309-P370 HydrophobicContact CH2-CG 4.37Å; W309-P370 HydrophobicContact CZ2-CG 3.94Å |
| 310 | V | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.6 | 168.8 | 179.2 | 0 | 0 | 0 | 0 | 109 | W170 Y173 V188 D189 C291 L307 Y312 | W170-V310 HydrophobicContact CH2-CG1 3.76Å; W170-V310 HydrophobicContact CH2-CG2 3.94Å; W170-V310 HydrophobicContact CZ3-CG2 3.9Å; Y173-V310 HydrophobicContact CE1-CG1 4.41Å; Y173-V310 HydrophobicContact CE1-CG2 3.85Å; V188-V310 CarbonylContact C-O 3.25Å; V188-V310 WeakPolarHBondContact CA-O 3.31Å; D189-V310 HydrophobicContact CB-CB 4.18Å; D189-V310 PolarHBondContact N-O 3.11Å; D189-V310 PolarHBondContact O-N 3.44Å; C291-V310 HydrophobicContact CB-CG2 4.01Å; L307-V310 HydrophobicContact CD1-CG2 4.01Å; L307-V310 HydrophobicContact CD2-CG2 3.76Å; L307-V310 HydrophobicContact CG-CG2 4.12Å; V310-Y312 HydrophobicContact CG1-CD2 3.99Å; V310-Y312 HydrophobicContact CG1-CE1 4.44Å; V310-Y312 HydrophobicContact CG1-CE2 3.35Å |
| 311 | D | 92.7 | Very high | 83.7 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.2 | -176.3 | -161.7 | -35.2 | 0 | 0 | 0 | 110.6 | A289 F290 T313 | A289-D311 CarbonylContact C-O 3.55Å; A289-D311 VanDerWaalsContact CA-O 3.23Å; A289-D311 WeakPolarHBondContact CA-O 3.43Å; F290-D311 HydrophobicContact CD1-CB 3.99Å; F290-D311 HydrophobicContact CD2-CB 4.28Å; F290-D311 HydrophobicContact CE1-CB 3.48Å; F290-D311 VanDerWaalsContact CE1-CB 3.48Å; F290-D311 HydrophobicContact CE2-CB 3.8Å; F290-D311 HydrophobicContact CG-CB 4.37Å; F290-D311 HydrophobicContact CZ-CB 3.36Å; F290-D311 WeakPolarHBondContact CZ-OD2 3.49Å; F290-D311 PolarHBondContact N-O 3.46Å; F290-D311 PolarHBondContact O-N 2.97Å; D311-T313 WeakPolarHBondContact OD1-CA 3.49Å; D311-T313 WeakPolarHBondContact OD1-CB 3.4Å; D311-T313 PolarHBondContact OD1-N 3.28Å; D311-T313 PolarHBondContact OD1-OG1 3.12Å |
| 312 | Y | 91.1 | Very high | 82.4 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | trans | -106.2 | 10 | 175.8 | -59.1 | -80.6 | 0 | 0 | 0 | 112.2 | Y174 R179 V187 A289 V310 Y314 T315 | Y174-Y312 HydrophobicContact CE2-CE1 4.21Å; R179-Y312 HydrophobicContact CG-CD1 4.43Å; R179-Y312 HydrophobicContact CG-CE1 4.47Å; V187-Y312 WeakPolarHBondContact O-CA 3.29Å; V187-Y312 WeakPolarHBondContact O-CB 3.45Å; V187-Y312 PolarHBondContact O-N 2.84Å; A289-Y312 HydrophobicContact CB-CD1 3.56Å; A289-Y312 HydrophobicContact CB-CE1 3.88Å; A289-Y312 HydrophobicContact CB-CG 4.45Å; V310-Y312 HydrophobicContact CG1-CD2 3.99Å; V310-Y312 HydrophobicContact CG1-CE1 4.44Å; V310-Y312 HydrophobicContact CG1-CE2 3.35Å; Y312-Y314 PolarHBondContact O-N 3.16Å; Y312-T315 HydrophobicContact CD1-CG2 3.78Å; Y312-T315 HydrophobicContact CG-CG2 4.38Å; Y312-T315 PolarHBondContact O-N 3.02Å; Y312-T315 VanDerWaalsContact O-N 3.1Å; Y312-T315 PolarHBondContact O-OG1 2.79Å | ||
| 313 | T | 87.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.5 | -176.6 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | V187 D311 | V187-T313 HydrophobicContact CG1-CG2 4.26Å; V187-T313 VanDerWaalsContact CG1-N 3.28Å; V187-T313 WeakPolarHBondContact CG1-OG1 3.47Å; D311-T313 WeakPolarHBondContact OD1-CA 3.49Å; D311-T313 WeakPolarHBondContact OD1-CB 3.4Å; D311-T313 PolarHBondContact OD1-N 3.28Å; D311-T313 PolarHBondContact OD1-OG1 3.12Å |
| 314 | Y | 87.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 16.9 | -176.7 | -48.7 | -65.8 | 0 | 0 | 0 | 113.4 | F290 Y312 V316 P326 L343 F345 L353 | F290-Y314 HydrophobicContact CE1-CD2 4.06Å; F290-Y314 HydrophobicContact CE1-CE2 4.12Å; Y312-Y314 PolarHBondContact O-N 3.16Å; Y314-V316 PolarHBondContact O-N 3.35Å; Y314-P326 VanDerWaalsContact CB-CD 3.43Å; Y314-L343 HydrophobicContact CD2-CD1 4.07Å; Y314-L343 HydrophobicContact CE2-CD1 3.68Å; Y314-F345 AromaticContact CD1-CE1 3.67Å; Y314-F345 HydrophobicContact CD1-CE1 3.67Å; Y314-F345 AromaticContact CD1-CZ 3.73Å; Y314-F345 HydrophobicContact CD1-CZ 3.73Å; Y314-F345 HydrophobicContact CD2-CZ 4.21Å; Y314-F345 HydrophobicContact CE1-CE1 4.21Å; Y314-F345 AromaticContact CE1-CZ 3.85Å; Y314-F345 HydrophobicContact CE1-CZ 3.85Å; Y314-F345 HydrophobicContact CE2-CZ 4.32Å; Y314-F345 AromaticContact CG-CE1 3.88Å; Y314-F345 HydrophobicContact CG-CE1 3.88Å; Y314-F345 AromaticContact CG-CZ 3.9Å; Y314-F345 HydrophobicContact CG-CZ 3.9Å; Y314-L353 HydrophobicContact CE2-CD1 4.48Å |
| 315 | T | 87 | Confident | 81.2 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 130 | 174.2 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | S287 A289 Y312 V317 | S287-T315 CarbonylContact O-C 3.6Å; S287-T315 VanDerWaalsContact O-CA 3.27Å; S287-T315 WeakPolarHBondContact O-CA 3.35Å; A289-T315 HydrophobicContact CB-CG2 3.62Å; Y312-T315 HydrophobicContact CD1-CG2 3.78Å; Y312-T315 HydrophobicContact CG-CG2 4.38Å; Y312-T315 PolarHBondContact O-N 3.02Å; Y312-T315 VanDerWaalsContact O-N 3.1Å; Y312-T315 PolarHBondContact O-OG1 2.79Å; T315-V317 PolarHBondContact O-N 3.39Å |
| 316 | V | 80.6 | Confident | 81.3 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 119.7 | 165.4 | -173 | 0 | 0 | 0 | 0 | 107.9 | S287 Y314 R325 | S287-V316 PolarHBondContact O-N 2.9Å; Y314-V316 PolarHBondContact O-N 3.35Å; V316-R325 HydrophobicContact CG2-CB 3.68Å; V316-R325 HydrophobicContact CG2-CG 3.91Å |
| 317 | V | 76.9 | Confident | 81.2 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -95 | 127.9 | 166.3 | -170.7 | 0 | 0 | 0 | 0 | 106.1 | D217 T315 S319 D320 | D217-V317 WeakPolarHBondContact OD2-CG1 3.23Å; T315-V317 PolarHBondContact O-N 3.39Å; V317-S319 WeakPolarHBondContact CG1-OG 3.33Å; V317-S319 PolarHBondContact O-N 2.92Å; V317-D320 WeakPolarHBondContact O-CB 3.27Å; V317-D320 PolarHBondContact O-N 3.46Å |
| 318 | R | 69.4 | Low | 81.2 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.5 | -176.9 | -71.8 | 176.8 | 168.4 | 73.6 | 6.3 | 114.5 | N99 M213 F216 D217 E220 D320 | N99-R318 PolarHBondContact ND2-NH2 3.49Å; M213-R318 HydrophobicContact CE-CB 3.33Å; M213-R318 HydrophobicContact CE-CG 4.36Å; M213-R318 HydrophobicContact SD-CB 4.34Å; F216-R318 VanDerWaalsContact C-NH1 3.32Å; F216-R318 VanDerWaalsContact CB-CZ 3.44Å; F216-R318 VanDerWaalsContact CB-NH1 3.31Å; F216-R318 PolarHBondContact O-NH1 3.31Å; D217-R318 WeakPolarHBondContact OD1-CG 3.47Å; D217-R318 IonicContact OD1-CZ 3.88Å; D217-R318 IonicContact OD1-NH1 3.84Å; D217-R318 PolarHBondContact OD1-NH1 2.89Å; E220-R318 IonicContact OE1-CZ 3.94Å; E220-R318 IonicContact OE1-NH1 2.61Å; E220-R318 IonicContact OE1-NH2 3.96Å; E220-R318 PolarHBondContact OE1-NH2 2.98Å; R318-D320 PolarHBondContact O-N 3.45Å |
| 319 | S | 64.7 | Low | 81.4 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.2 | 170 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | V317 | V317-S319 WeakPolarHBondContact CG1-OG 3.33Å; V317-S319 PolarHBondContact O-N 2.92Å |
| 320 | D | 65.1 | Low | 81.5 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -102.4 | 136.3 | -170.9 | -62.5 | -0.2 | 0 | 0 | 0 | 109.7 | V317 R318 I322 | V317-D320 WeakPolarHBondContact O-CB 3.27Å; V317-D320 PolarHBondContact O-N 3.46Å; R318-D320 PolarHBondContact O-N 3.45Å; D320-I322 PolarHBondContact O-N 2.95Å |
| 321 | S | 57.9 | Low | 81.6 | Confident | 127 Ų | 127 | 49.4 Ų | 49.4 | 89% | 0.888 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -71.1 | 5.8 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 322 | I | 60.5 | Low | 81.7 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 56% | 0.559 | 27% | 0.27 | S | S | * | . | trans | -94.9 | 104.6 | -172 | -58 | 174.9 | 0 | 0 | 0 | 109.9 | D320 K324 | D320-I322 PolarHBondContact O-N 2.95Å; I322-K324 HydrophobicContact CG2-CB 3.95Å; I322-K324 PolarHBondContact O-N 3.18Å | ||
| 323 | D | 68.2 | Low | 81.8 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | trans | -89.3 | 25 | -179.1 | -124.9 | -7.3 | 0 | 0 | 0 | 113.9 | T346 | D323-T346 PolarHBondContact O-OG1 3.46Š| ||
| 324 | K | 79.9 | Confident | 81.9 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 30% | 0.296 | 26% | 0.256 | S | S | . | . | trans | -100.2 | 104.9 | -176.3 | -178.2 | 174.8 | 180 | 156.9 | 0 | 110.8 | I322 F345 D347 S349 | I322-K324 HydrophobicContact CG2-CB 3.95Å; I322-K324 PolarHBondContact O-N 3.18Å; K324-F345 HydrophobicContact CD-CD1 4.29Å; K324-F345 HydrophobicContact CG-CB 4.39Å; K324-F345 HydrophobicContact CG-CD1 3.67Å; K324-F345 HydrophobicContact CG-CE1 4.43Å; K324-F345 HydrophobicContact CG-CG 4.39Å; K324-D347 VanDerWaalsContact CD-OD2 3.26Å; K324-D347 WeakPolarHBondContact CD-OD2 2.91Å; K324-D347 WeakPolarHBondContact CE-OD1 2.83Å; K324-D347 WeakPolarHBondContact CE-OD2 3.33Å; K324-D347 IonicContact NZ-OD1 3.29Å; K324-D347 IonicContact NZ-OD2 3.88Å; K324-D347 PolarHBondContact NZ-OD2 2.85Å; K324-S349 WeakPolarHBondContact CE-OG 3.49Å; K324-S349 PolarHBondContact NZ-OG 2.65Å | ||
| 325 | R | 86.6 | Confident | 81.8 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | trans | -131.3 | 154.2 | 172.4 | 54 | 175.6 | 173.7 | -160.9 | -14.3 | 113.2 | E220 K286 V316 N327 F345 T346 | E220-R325 IonicContact OE2-NH1 3.27Å; E220-R325 PolarHBondContact OE2-NH1 3.48Å; K286-R325 WeakPolarHBondContact O-CD 3.21Å; K286-R325 PolarHBondContact O-NH1 3.05Å; V316-R325 HydrophobicContact CG2-CB 3.68Å; V316-R325 HydrophobicContact CG2-CG 3.91Å; R325-N327 PolarHBondContact O-N 3.01Å; R325-F345 VanDerWaalsContact C-CD1 3.49Å; R325-F345 CarbonylContact O-C 3.59Å; R325-F345 WeakPolarHBondContact O-CA 3.31Å; R325-T346 HydrophobicContact CG-CG2 3.87Å; R325-T346 PolarHBondContact N-OG1 3.09Å; R325-T346 VanDerWaalsContact N-OG1 3.16Å; R325-T346 PolarHBondContact O-N 3.19Å; R325-T346 PolarHBondContact O-OG1 3.43Å | ||
| 326 | P | 91 | Very high | 81.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134 | 166.9 | 26 | -32 | 0 | 0 | 0 | 110.1 | L284 G288 Y314 L343 G344 F345 | L284-P326 HydrophobicContact CD1-CB 4.04Å; L284-P326 HydrophobicContact CD1-CG 3.79Å; G288-P326 WeakPolarHBondContact O-CG 3.42Å; Y314-P326 VanDerWaalsContact CB-CD 3.43Å; P326-L343 HydrophobicContact CB-CD2 4.28Å; P326-G344 CarbonylContact C-O 3.42Å; P326-G344 WeakPolarHBondContact CA-O 3.36Å; P326-F345 HydrophobicContact CB-CE1 4.44Å; P326-F345 HydrophobicContact CB-CZ 4.49Å; P326-F345 HydrophobicContact CG-CE1 4.46Å |
| 327 | N | 88.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -2.8 | 173.2 | 65.7 | -6.2 | 0 | 0 | 0 | 112.3 | Y226 R325 G344 T346 | Y226-N327 VanDerWaalsContact CD2-O 3.23Å; Y226-N327 WeakPolarHBondContact CD2-O 3.31Å; Y226-N327 WeakPolarHBondContact CE2-O 3.2Å; R325-N327 PolarHBondContact O-N 3.01Å; N327-G344 PolarHBondContact N-O 3.45Å; N327-G344 PolarHBondContact OD1-O 3.09Å; N327-T346 HydrophobicContact CB-CG2 4.23Å |
| 328 | Y | 91.8 | Very high | 82.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.7 | 178.2 | 179.8 | -95.1 | 0 | 0 | 0 | 109.8 | Y226 K330 L343 G344 I385 S388 | Y226-Y328 HydrophobicContact CE1-CD2 4.44Å; Y328-K330 HydrophobicContact CE1-CB 3.77Å; Y328-L343 WeakPolarHBondContact O-CA 3.09Å; Y328-G344 PolarHBondContact N-O 3.27Å; Y328-G344 PolarHBondContact O-N 3.4Å; Y328-I385 HydrophobicContact CD1-CB 4.38Å; Y328-I385 HydrophobicContact CD1-CG2 3.61Å; Y328-I385 HydrophobicContact CD2-CB 4.5Å; Y328-I385 HydrophobicContact CD2-CG2 4.02Å; Y328-I385 VanDerWaalsContact CD2-O 3.31Å; Y328-I385 WeakPolarHBondContact CD2-O 3.27Å; Y328-I385 HydrophobicContact CE1-CG2 3.84Å; Y328-I385 HydrophobicContact CE2-CG2 4.23Å; Y328-I385 HydrophobicContact CG-CB 4.1Å; Y328-I385 HydrophobicContact CG-CG2 3.7Å; Y328-S388 PolarHBondContact OH-N 3.2Å; Y328-S388 VanDerWaalsContact OH-N 3.13Å; Y328-S388 PolarHBondContact OH-OG 2.98Å |
| 329 | I | 95.2 | Very high | 83.3 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.3 | 175.6 | -165.7 | 165.7 | 0 | 0 | 0 | 109.4 | A282 L284 F290 L341 V342 L343 | A282-I329 HydrophobicContact CB-CD1 4.09Å; A282-I329 HydrophobicContact CB-CG1 4.5Å; L284-I329 HydrophobicContact CB-CB 4.08Å; L284-I329 HydrophobicContact CB-CD1 4.21Å; L284-I329 HydrophobicContact CB-CG2 3.63Å; L284-I329 HydrophobicContact CD2-CB 4.29Å; L284-I329 HydrophobicContact CD2-CG2 4.35Å; F290-I329 HydrophobicContact CB-CD1 3.91Å; F290-I329 HydrophobicContact CD2-CD1 4.48Å; F290-I329 HydrophobicContact CG-CD1 4.28Å; I329-L341 HydrophobicContact CD1-CD1 3.65Å; I329-L341 HydrophobicContact CD1-CD2 4.07Å; I329-L341 HydrophobicContact CD1-CG 4.23Å; I329-L341 HydrophobicContact CG1-CD1 3.27Å; I329-L341 HydrophobicContact CG1-CD2 4.42Å; I329-L341 HydrophobicContact CG1-CG 4.03Å; I329-V342 WeakPolarHBondContact CA-O 3.48Å; I329-L343 HydrophobicContact CB-CD2 4.26Å; I329-L343 HydrophobicContact CD1-CD2 3.97Å; I329-L343 HydrophobicContact CG1-CD2 3.83Å |
| 330 | K | 95.4 | Very high | 84.8 | Confident | 66 Ų | 66 | 43.9 Ų | 43.9 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 130.5 | 171.3 | -165.1 | 72.7 | -179.7 | -179.7 | 0 | 110.3 | S228 Y328 Y332 V342 | S228-K330 WeakPolarHBondContact OG-CD 3.21Å; Y328-K330 HydrophobicContact CE1-CB 3.77Å; K330-Y332 HydrophobicContact CB-CE2 3.93Å; K330-Y332 HydrophobicContact CG-CD2 4.29Å; K330-Y332 HydrophobicContact CG-CE1 3.88Å; K330-Y332 HydrophobicContact CG-CE2 3.5Å; K330-Y332 VanDerWaalsContact CG-OH 3.29Å; K330-Y332 WeakPolarHBondContact CG-OH 3.28Å; K330-V342 PolarHBondContact N-O 3.42Å; K330-V342 PolarHBondContact O-N 3.46Å |
| 331 | L | 96 | Very high | 86.3 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.3 | -177.6 | -170.3 | 71 | 0 | 0 | 0 | 109.3 | S228 C230 F280 A282 L339 L340 L341 | S228-L331 PolarHBondContact OG-N 3.16Å; C230-L331 HydrophobicContact CB-CB 4.14Å; C230-L331 HydrophobicContact CB-CD2 3.56Å; C230-L331 HydrophobicContact CB-CG 3.62Å; F280-L331 HydrophobicContact CB-CD2 3.6Å; A282-L331 HydrophobicContact CB-CB 4.18Å; A282-L331 HydrophobicContact CB-CD2 4.19Å; L331-L339 HydrophobicContact CD1-CB 4.05Å; L331-L339 HydrophobicContact CD1-CD2 4.28Å; L331-L339 HydrophobicContact CD2-CD2 4.36Å; L331-L339 HydrophobicContact CG-CD2 4.25Å; L331-L340 CarbonylContact C-O 3.6Å; L331-L340 WeakPolarHBondContact CA-O 3.42Å; L331-L341 HydrophobicContact CB-CD1 4.23Å; L331-L341 HydrophobicContact CD1-CB 4.16Å; L331-L341 HydrophobicContact CD1-CD1 3.88Å |
| 332 | Y | 94.8 | Very high | 88.1 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.4 | -178.5 | -63.4 | -68.4 | 0 | 0 | 0 | 111.8 | K330 L339 L340 V342 S388 A389 W390 L397 | K330-Y332 HydrophobicContact CB-CE2 3.93Å; K330-Y332 HydrophobicContact CG-CD2 4.29Å; K330-Y332 HydrophobicContact CG-CE1 3.88Å; K330-Y332 HydrophobicContact CG-CE2 3.5Å; K330-Y332 VanDerWaalsContact CG-OH 3.29Å; K330-Y332 WeakPolarHBondContact CG-OH 3.28Å; Y332-L339 WeakPolarHBondContact O-CA 3.41Å; Y332-L340 PolarHBondContact N-O 3.14Å; Y332-L340 PolarHBondContact O-N 3.14Å; Y332-V342 HydrophobicContact CD2-CG2 4.03Å; Y332-V342 HydrophobicContact CE2-CG2 3.99Å; Y332-S388 WeakPolarHBondContact OH-CB 3.43Å; Y332-S388 PolarHBondContact OH-O 3.17Å; Y332-S388 PolarHBondContact OH-OG 3.05Å; Y332-A389 VanDerWaalsContact OH-CA 3.31Å; Y332-A389 WeakPolarHBondContact OH-CA 3.3Å; Y332-A389 PolarHBondContact OH-N 2.91Å; Y332-A389 VanDerWaalsContact OH-N 3.16Å; Y332-W390 HydrophobicContact CD1-CB 3.4Å; Y332-W390 VanDerWaalsContact CD1-CB 3.4Å; Y332-W390 HydrophobicContact CD1-CG 4.15Å; Y332-W390 HydrophobicContact CD2-CB 4.04Å; Y332-W390 HydrophobicContact CE1-CB 3.55Å; Y332-W390 HydrophobicContact CE2-CB 4.18Å; Y332-W390 HydrophobicContact CG-CB 3.62Å; Y332-W390 HydrophobicContact CG-CG 4.08Å; Y332-L397 HydrophobicContact CD2-CD1 4.34Å; Y332-L397 HydrophobicContact CE2-CD1 3.81Å |
| 333 | D | 92.1 | Very high | 89.7 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 13% | 0.128 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116 | 165 | -177.9 | 1 | 0 | 0 | 0 | 108.7 | C230 I232 D335 N336 W390 | C230-D333 PolarHBondContact SG-N 2.79Å; I232-D333 HydrophobicContact CG1-CB 4.01Å; D333-D335 PolarHBondContact OD1-N 2.95Å; D333-N336 VanDerWaalsContact OD1-CA 3.28Å; D333-N336 WeakPolarHBondContact OD1-CA 3.35Å; D333-N336 PolarHBondContact OD1-N 2.77Å; D333-N336 PolarHBondContact OD2-OD1 3.38Å; D333-W390 PolarHBondContact O-NE1 3.09Å |
| 334 | L | 90.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -82.6 | -47.2 | -176.8 | -173.8 | 60.1 | 0 | 0 | 0 | 112.3 | N338 L340 V354 W390 I410 Y443 | L334-N338 HydrophobicContact CB-CB 4.22Å; L334-N338 VanDerWaalsContact CB-O 3.23Å; L334-N338 WeakPolarHBondContact CB-O 3.46Å; L334-N338 HydrophobicContact CD2-CB 4.08Å; L334-N338 PolarHBondContact N-O 2.85Å; L334-L340 HydrophobicContact CB-CB 4.13Å; L334-L340 HydrophobicContact CD1-CB 4.21Å; L334-L340 HydrophobicContact CD1-CD2 4.19Å; L334-L340 HydrophobicContact CD2-CB 4.45Å; L334-V354 HydrophobicContact CD2-CB 4.43Å; L334-V354 HydrophobicContact CD2-CG1 3.77Å; L334-V354 HydrophobicContact CD2-CG2 3.74Å; L334-W390 HydrophobicContact CD1-CH2 3.86Å; L334-W390 HydrophobicContact CD1-CZ2 3.72Å; L334-I410 HydrophobicContact CD1-CG2 4.2Å; L334-Y443 HydrophobicContact CD1-CD1 4.37Å; L334-Y443 HydrophobicContact CD1-CE1 4.22Å; L334-Y443 HydrophobicContact CD2-CD1 3.61Å; L334-Y443 HydrophobicContact CD2-CD2 4.22Å; L334-Y443 HydrophobicContact CD2-CE1 3.34Å; L334-Y443 HydrophobicContact CD2-CE2 3.93Å; L334-Y443 HydrophobicContact CD2-CG 4Å; L334-Y443 VanDerWaalsContact CD2-CZ 3.46Å; L334-Y443 HydrophobicContact CG-CD1 4.1Å; L334-Y443 HydrophobicContact CG-CE1 3.57Å |
| 335 | D | 85.6 | Confident | 91.4 | Very high | 31 Ų | 31 | 19.8 Ų | 19.8 | 17% | 0.166 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -154.5 | 25 | -172.7 | 81.5 | -30.5 | 0 | 0 | 0 | 114.6 | D333 L337 N338 K412 Y443 | D333-D335 PolarHBondContact OD1-N 2.95Å; D335-L337 PolarHBondContact O-N 3.32Å; D335-L337 VanDerWaalsContact O-N 3.14Å; D335-L337 WeakPolarHBondContact OD1-CA 3.38Å; D335-L337 WeakPolarHBondContact OD1-CB 3.43Å; D335-L337 PolarHBondContact OD1-N 3.47Å; D335-L337 VanDerWaalsContact OD1-N 3.08Å; D335-N338 VanDerWaalsContact CG-ND2 3.31Å; D335-N338 WeakPolarHBondContact OD1-CB 3.36Å; D335-N338 PolarHBondContact OD1-N 2.62Å; D335-N338 PolarHBondContact OD1-ND2 3.47Å; D335-N338 PolarHBondContact OD2-ND2 3.29Å; D335-K412 IonicContact OD2-NZ 2.76Å; D335-K412 PolarHBondContact OD2-NZ 3.4Å; D335-Y443 WeakPolarHBondContact CB-OH 3.34Å; D335-Y443 PolarHBondContact OD1-OH 2.71Å; D335-Y443 PolarHBondContact OD2-OH 2.85Å |
| 336 | N | 82.8 | Confident | 91.3 | Very high | 71 Ų | 71 | 19.4 Ų | 19.4 | 38% | 0.38 | 10% | 0.1 | S | C | . | . | S | Bend | trans | 64.9 | -3.9 | -169 | -53.7 | -60.4 | 0 | 0 | 0 | 115.2 | I232 D333 M392 | I232-N336 WeakPolarHBondContact CG2-O 3.35Å; D333-N336 VanDerWaalsContact OD1-CA 3.28Å; D333-N336 WeakPolarHBondContact OD1-CA 3.35Å; D333-N336 PolarHBondContact OD1-N 2.77Å; D333-N336 PolarHBondContact OD2-OD1 3.38Å; N336-M392 HydrophobicContact CB-CE 4.44Å; N336-M392 VanDerWaalsContact N-CE 3.34Å; N336-M392 WeakPolarHBondContact ND2-CE 3.15Å |
| 337 | L | 82.4 | Confident | 91 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 28% | 0.277 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -121.4 | -26.3 | -179.2 | -60.3 | 175.1 | 0 | 0 | 0 | 112.5 | D335 I357 | D335-L337 PolarHBondContact O-N 3.32Å; D335-L337 VanDerWaalsContact O-N 3.14Å; D335-L337 WeakPolarHBondContact OD1-CA 3.38Å; D335-L337 WeakPolarHBondContact OD1-CB 3.43Å; D335-L337 PolarHBondContact OD1-N 3.47Å; D335-L337 VanDerWaalsContact OD1-N 3.08Å; L337-I357 WeakPolarHBondContact O-CB 3.18Å; L337-I357 PolarHBondContact O-N 2.95Å; L337-I357 VanDerWaalsContact O-N 3.08Å |
| 338 | N | 88.4 | Confident | 90.8 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 8% | 0.08 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.9 | -175.2 | -59.8 | -79.7 | 0 | 0 | 0 | 110.4 | L334 D335 V354 F355 P356 Y443 | L334-N338 HydrophobicContact CB-CB 4.22Å; L334-N338 VanDerWaalsContact CB-O 3.23Å; L334-N338 WeakPolarHBondContact CB-O 3.46Å; L334-N338 HydrophobicContact CD2-CB 4.08Å; L334-N338 PolarHBondContact N-O 2.85Å; D335-N338 VanDerWaalsContact CG-ND2 3.31Å; D335-N338 WeakPolarHBondContact OD1-CB 3.36Å; D335-N338 PolarHBondContact OD1-N 2.62Å; D335-N338 PolarHBondContact OD1-ND2 3.47Å; D335-N338 PolarHBondContact OD2-ND2 3.29Å; N338-V354 HydrophobicContact CB-CG1 3.7Å; N338-F355 WeakPolarHBondContact CA-O 3.38Å; N338-P356 VanDerWaalsContact OD1-CA 3.26Å; N338-P356 WeakPolarHBondContact OD1-CA 3.36Å; N338-P356 WeakPolarHBondContact OD1-CB 3.19Å; N338-Y443 PolarHBondContact ND2-OH 3.08Å |
| 339 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.9 | 169.3 | -68.8 | 164 | 0 | 0 | 0 | 109.5 | C230 I232 F280 L331 Y332 V354 F355 I357 L367 | C230-L339 HydrophobicContact CB-CD2 4.24Å; I232-L339 HydrophobicContact CD1-CD2 3.46Å; I232-L339 VanDerWaalsContact CD1-CD2 3.46Å; I232-L339 HydrophobicContact CD1-CG 3.88Å; I232-L339 HydrophobicContact CG1-CD2 4.23Å; F280-L339 HydrophobicContact CD1-CD1 3.89Å; F280-L339 HydrophobicContact CD2-CD1 3.95Å; F280-L339 HydrophobicContact CD2-CD2 3.83Å; F280-L339 HydrophobicContact CD2-CG 4.43Å; F280-L339 HydrophobicContact CE1-CD1 3.95Å; F280-L339 HydrophobicContact CE2-CD1 4.01Å; F280-L339 HydrophobicContact CE2-CD2 4.13Å; F280-L339 HydrophobicContact CE2-CG 4.43Å; F280-L339 HydrophobicContact CG-CD1 3.88Å; F280-L339 HydrophobicContact CG-CD2 4.35Å; F280-L339 HydrophobicContact CZ-CD1 4Å; L331-L339 HydrophobicContact CD1-CB 4.05Å; L331-L339 HydrophobicContact CD1-CD2 4.28Å; L331-L339 HydrophobicContact CD2-CD2 4.36Å; L331-L339 HydrophobicContact CG-CD2 4.25Å; Y332-L339 WeakPolarHBondContact O-CA 3.41Å; L339-V354 CarbonylContact O-C 3.58Å; L339-V354 WeakPolarHBondContact O-CA 3.38Å; L339-F355 HydrophobicContact CB-CB 4.26Å; L339-F355 PolarHBondContact N-O 3.46Å; L339-F355 PolarHBondContact O-N 3.22Å; L339-I357 HydrophobicContact CD1-CD1 3.93Å; L339-I357 HydrophobicContact CD1-CG1 4.2Å; L339-I357 HydrophobicContact CD2-CD1 4.42Å; L339-I357 HydrophobicContact CG-CD1 3.71Å; L339-I357 HydrophobicContact CG-CG1 4.29Å; L339-L367 HydrophobicContact CD1-CD2 3.99Å |
| 340 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.6 | 168.2 | 173.3 | 65.9 | 0 | 0 | 0 | 109.5 | L331 Y332 L334 V342 V354 F373 L397 I410 | L331-L340 CarbonylContact C-O 3.6Å; L331-L340 WeakPolarHBondContact CA-O 3.42Å; Y332-L340 PolarHBondContact N-O 3.14Å; Y332-L340 PolarHBondContact O-N 3.14Å; L334-L340 HydrophobicContact CB-CB 4.13Å; L334-L340 HydrophobicContact CD1-CB 4.21Å; L334-L340 HydrophobicContact CD1-CD2 4.19Å; L334-L340 HydrophobicContact CD2-CB 4.45Å; L340-V342 HydrophobicContact CD2-CG2 4.16Å; L340-V342 HydrophobicContact CG-CG2 4.05Å; L340-V354 HydrophobicContact CB-CG2 4.29Å; L340-V354 HydrophobicContact CD1-CG2 3.54Å; L340-F373 HydrophobicContact CD1-CE1 4.19Å; L340-F373 HydrophobicContact CD1-CZ 3.99Å; L340-L397 HydrophobicContact CD2-CD2 4.41Å; L340-I410 HydrophobicContact CD2-CD1 3.75Å |
| 341 | L | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.1 | 170.8 | -174.2 | 64.6 | 0 | 0 | 0 | 109.6 | A282 F290 I329 L331 L343 L353 F355 | A282-L341 HydrophobicContact CB-CD1 4.12Å; F290-L341 HydrophobicContact CD2-CD2 3.81Å; F290-L341 HydrophobicContact CE2-CD2 3.56Å; F290-L341 HydrophobicContact CZ-CD2 4.09Å; I329-L341 HydrophobicContact CD1-CD1 3.65Å; I329-L341 HydrophobicContact CD1-CD2 4.07Å; I329-L341 HydrophobicContact CD1-CG 4.23Å; I329-L341 HydrophobicContact CG1-CD1 3.27Å; I329-L341 HydrophobicContact CG1-CD2 4.42Å; I329-L341 HydrophobicContact CG1-CG 4.03Å; L331-L341 HydrophobicContact CB-CD1 4.23Å; L331-L341 HydrophobicContact CD1-CB 4.16Å; L331-L341 HydrophobicContact CD1-CD1 3.88Å; L341-L343 HydrophobicContact CD2-CD2 4.33Å; L341-L343 HydrophobicContact CG-CD2 4.33Å; L341-L353 HydrophobicContact CB-CB 4.16Å; L341-L353 HydrophobicContact CD2-CD1 4.25Å; L341-L353 PolarHBondContact N-O 3.31Å; L341-L353 PolarHBondContact O-N 3.11Å; L341-F355 HydrophobicContact CB-CD2 4.35Å; L341-F355 HydrophobicContact CB-CE2 3.87Å; L341-F355 HydrophobicContact CD2-CE2 3.89Å; L341-F355 HydrophobicContact CD2-CZ 4.38Å |
| 342 | V | 96 | Very high | 90.3 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.6 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 109 | I329 K330 Y332 L340 V350 L375 L397 I399 | I329-V342 WeakPolarHBondContact CA-O 3.48Å; K330-V342 PolarHBondContact N-O 3.42Å; K330-V342 PolarHBondContact O-N 3.46Å; Y332-V342 HydrophobicContact CD2-CG2 4.03Å; Y332-V342 HydrophobicContact CE2-CG2 3.99Å; L340-V342 HydrophobicContact CD2-CG2 4.16Å; L340-V342 HydrophobicContact CG-CG2 4.05Å; V342-V350 HydrophobicContact CG1-CG1 3.92Å; V342-L375 HydrophobicContact CG1-CD1 4.21Å; V342-L375 HydrophobicContact CG2-CD1 4.47Å; V342-L397 HydrophobicContact CG2-CD1 4.14Å; V342-L397 HydrophobicContact CG2-CD2 3.84Å; V342-I399 HydrophobicContact CG1-CD1 3.83Å |
| 343 | L | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.8 | 176.7 | -64.5 | 178.2 | 0 | 0 | 0 | 110.2 | F290 Y314 P326 Y328 I329 L341 F345 V350 K351 L353 | F290-L343 HydrophobicContact CE1-CD1 4.19Å; Y314-L343 HydrophobicContact CD2-CD1 4.07Å; Y314-L343 HydrophobicContact CE2-CD1 3.68Å; P326-L343 HydrophobicContact CB-CD2 4.28Å; Y328-L343 WeakPolarHBondContact O-CA 3.09Å; I329-L343 HydrophobicContact CB-CD2 4.26Å; I329-L343 HydrophobicContact CD1-CD2 3.97Å; I329-L343 HydrophobicContact CG1-CD2 3.83Å; L341-L343 HydrophobicContact CD2-CD2 4.33Å; L341-L343 HydrophobicContact CG-CD2 4.33Å; L343-F345 HydrophobicContact CB-CD2 4.46Å; L343-F345 HydrophobicContact CB-CE2 3.76Å; L343-F345 HydrophobicContact CB-CZ 4.42Å; L343-F345 HydrophobicContact CD1-CZ 4.44Å; L343-V350 WeakPolarHBondContact O-CA 3.26Å; L343-K351 HydrophobicContact CB-CB 4.45Å; L343-K351 PolarHBondContact N-O 2.8Å; L343-K351 PolarHBondContact O-N 2.9Å; L343-L353 HydrophobicContact CD1-CD1 3.61Å; L343-L353 HydrophobicContact CD1-CG 4.42Å; L343-L353 HydrophobicContact CG-CD1 4.46Å |
| 344 | G | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P326 N327 Y328 | P326-G344 CarbonylContact C-O 3.42Å; P326-G344 WeakPolarHBondContact CA-O 3.36Å; N327-G344 PolarHBondContact N-O 3.45Å; N327-G344 PolarHBondContact OD1-O 3.09Å; Y328-G344 PolarHBondContact N-O 3.27Å; Y328-G344 PolarHBondContact O-N 3.4Å |
| 345 | F | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 157.8 | -176 | -72.3 | -102.1 | 0 | 0 | 0 | 112.8 | Y314 K324 R325 P326 L343 D347 G348 S349 K351 | Y314-F345 AromaticContact CD1-CE1 3.67Å; Y314-F345 HydrophobicContact CD1-CE1 3.67Å; Y314-F345 AromaticContact CD1-CZ 3.73Å; Y314-F345 HydrophobicContact CD1-CZ 3.73Å; Y314-F345 HydrophobicContact CD2-CZ 4.21Å; Y314-F345 HydrophobicContact CE1-CE1 4.21Å; Y314-F345 AromaticContact CE1-CZ 3.85Å; Y314-F345 HydrophobicContact CE1-CZ 3.85Å; Y314-F345 HydrophobicContact CE2-CZ 4.32Å; Y314-F345 AromaticContact CG-CE1 3.88Å; Y314-F345 HydrophobicContact CG-CE1 3.88Å; Y314-F345 AromaticContact CG-CZ 3.9Å; Y314-F345 HydrophobicContact CG-CZ 3.9Å; K324-F345 HydrophobicContact CD-CD1 4.29Å; K324-F345 HydrophobicContact CG-CB 4.39Å; K324-F345 HydrophobicContact CG-CD1 3.67Å; K324-F345 HydrophobicContact CG-CE1 4.43Å; K324-F345 HydrophobicContact CG-CG 4.39Å; R325-F345 VanDerWaalsContact C-CD1 3.49Å; R325-F345 CarbonylContact O-C 3.59Å; R325-F345 WeakPolarHBondContact O-CA 3.31Å; P326-F345 HydrophobicContact CB-CE1 4.44Å; P326-F345 HydrophobicContact CB-CZ 4.49Å; P326-F345 HydrophobicContact CG-CE1 4.46Å; L343-F345 HydrophobicContact CB-CD2 4.46Å; L343-F345 HydrophobicContact CB-CE2 3.76Å; L343-F345 HydrophobicContact CB-CZ 4.42Å; L343-F345 HydrophobicContact CD1-CZ 4.44Å; F345-D347 WeakPolarHBondContact CB-OD1 3.12Å; F345-D347 PolarHBondContact O-N 3.15Å; F345-G348 WeakPolarHBondContact O-CA 3.01Å; F345-G348 PolarHBondContact O-N 3.46Å; F345-S349 WeakPolarHBondContact CB-O 3.45Å; F345-S349 WeakPolarHBondContact CB-OG 3.12Å; F345-S349 PolarHBondContact N-O 2.79Å; F345-K351 HydrophobicContact CD2-CG 4.45Å; F345-K351 HydrophobicContact CE2-CB 4.01Å; F345-K351 HydrophobicContact CE2-CD 3.61Å; F345-K351 HydrophobicContact CE2-CG 3.82Å; F345-K351 HydrophobicContact CZ-CD 3.85Å |
| 346 | T | 85.3 | Confident | 90.4 | Very high | 49 Ų | 49 | 14.5 Ų | 14.5 | 30% | 0.301 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.2 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | D323 R325 N327 | D323-T346 PolarHBondContact O-OG1 3.46Å; R325-T346 HydrophobicContact CG-CG2 3.87Å; R325-T346 PolarHBondContact N-OG1 3.09Å; R325-T346 VanDerWaalsContact N-OG1 3.16Å; R325-T346 PolarHBondContact O-N 3.19Å; R325-T346 PolarHBondContact O-OG1 3.43Å; N327-T346 HydrophobicContact CB-CG2 4.23Å |
| 347 | D | 84.8 | Confident | 90.5 | Very high | 48 Ų | 48 | 11.5 Ų | 11.5 | 26% | 0.257 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.1 | 174.4 | 73.8 | -23.3 | 0 | 0 | 0 | 113.2 | K324 F345 S349 P379 | K324-D347 VanDerWaalsContact CD-OD2 3.26Å; K324-D347 WeakPolarHBondContact CD-OD2 2.91Å; K324-D347 WeakPolarHBondContact CE-OD1 2.83Å; K324-D347 WeakPolarHBondContact CE-OD2 3.33Å; K324-D347 IonicContact NZ-OD1 3.29Å; K324-D347 IonicContact NZ-OD2 3.88Å; K324-D347 PolarHBondContact NZ-OD2 2.85Å; F345-D347 WeakPolarHBondContact CB-OD1 3.12Å; F345-D347 PolarHBondContact O-N 3.15Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 WeakPolarHBondContact OD1-CB 3.48Å; D347-S349 PolarHBondContact OD1-N 3.05Å; D347-S349 PolarHBondContact OD1-OG 2.78Å; D347-S349 PolarHBondContact OD2-OG 2.92Å; D347-P379 WeakPolarHBondContact O-CB 3.42Å |
| 348 | G | 85.1 | Confident | 90.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 82.3 | 3.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | F345 Y401 | F345-G348 WeakPolarHBondContact O-CA 3.01Å; F345-G348 PolarHBondContact O-N 3.46Å; G348-Y401 VanDerWaalsContact C-OH 3.24Å; G348-Y401 VanDerWaalsContact CA-OH 3.22Å; G348-Y401 WeakPolarHBondContact CA-OH 3.35Å; G348-Y401 WeakPolarHBondContact O-CE2 3.34Å; G348-Y401 PolarHBondContact O-OH 2.99Å |
| 349 | S | 89 | Confident | 89.8 | Confident | 5 Ų | 5 | 13.2 Ų | 13.2 | 4% | 0.035 | 7% | 0.067 | C | C | . | . | trans | -72.8 | 151.4 | 169.6 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | K324 F345 D347 W376 | K324-S349 WeakPolarHBondContact CE-OG 3.49Å; K324-S349 PolarHBondContact NZ-OG 2.65Å; F345-S349 WeakPolarHBondContact CB-O 3.45Å; F345-S349 WeakPolarHBondContact CB-OG 3.12Å; F345-S349 PolarHBondContact N-O 2.79Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 WeakPolarHBondContact OD1-CB 3.48Å; D347-S349 PolarHBondContact OD1-N 3.05Å; D347-S349 PolarHBondContact OD1-OG 2.78Å; D347-S349 PolarHBondContact OD2-OG 2.92Å; S349-W376 CarbonylContact C-O 3.47Å; S349-W376 WeakPolarHBondContact CA-O 3.49Å | ||
| 350 | V | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.9 | 178.2 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | V342 L343 L375 W376 I385 I399 Y401 | V342-V350 HydrophobicContact CG1-CG1 3.92Å; L343-V350 WeakPolarHBondContact O-CA 3.26Å; V350-L375 HydrophobicContact CB-CB 4.14Å; V350-L375 HydrophobicContact CG1-CB 4.01Å; V350-L375 HydrophobicContact CG1-CD1 3.86Å; V350-L375 PolarHBondContact O-N 3.07Å; V350-W376 HydrophobicContact CB-CB 3.85Å; V350-W376 HydrophobicContact CG2-CB 3.99Å; V350-W376 PolarHBondContact N-O 2.96Å; V350-W376 PolarHBondContact O-N 3.33Å; V350-I385 HydrophobicContact CG2-CD1 3.48Å; V350-I385 VanDerWaalsContact CG2-CD1 3.48Å; V350-I399 HydrophobicContact CG1-CD1 3.66Å; V350-Y401 HydrophobicContact CG2-CD2 4.47Å; V350-Y401 HydrophobicContact CG2-CE2 4.41Å |
| 351 | K | 92.1 | Very high | 87.1 | Confident | 33 Ų | 33 | 19.7 Ų | 19.7 | 14% | 0.143 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.5 | -179.1 | -68.4 | -175.8 | 176.9 | -176.5 | 0 | 111 | L343 F345 L372 | L343-K351 HydrophobicContact CB-CB 4.45Å; L343-K351 PolarHBondContact N-O 2.8Å; L343-K351 PolarHBondContact O-N 2.9Å; F345-K351 HydrophobicContact CD2-CG 4.45Å; F345-K351 HydrophobicContact CE2-CB 4.01Å; F345-K351 HydrophobicContact CE2-CD 3.61Å; F345-K351 HydrophobicContact CE2-CG 3.82Å; F345-K351 HydrophobicContact CZ-CD 3.85Å; K351-L372 HydrophobicContact CB-CD1 3.88Å; K351-L372 HydrophobicContact CD-CD1 3.93Å; K351-L372 HydrophobicContact CD-CD2 4.46Å; K351-L372 HydrophobicContact CG-CD1 4.25Å |
| 352 | G | 93.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F373 | G352-F373 PolarHBondContact N-O 2.91Å; G352-F373 WeakPolarHBondContact O-CD1 3.32Å; G352-F373 PolarHBondContact O-N 2.9Å |
| 353 | L | 93.7 | Very high | 84.1 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.5 | 168.6 | -73 | 168.7 | 0 | 0 | 0 | 107.8 | F290 Y314 L341 L343 F355 P370 L372 | F290-L353 HydrophobicContact CE1-CD1 4.16Å; F290-L353 HydrophobicContact CZ-CD1 3.66Å; Y314-L353 HydrophobicContact CE2-CD1 4.48Å; L341-L353 HydrophobicContact CB-CB 4.16Å; L341-L353 HydrophobicContact CD2-CD1 4.25Å; L341-L353 PolarHBondContact N-O 3.31Å; L341-L353 PolarHBondContact O-N 3.11Å; L343-L353 HydrophobicContact CD1-CD1 3.61Å; L343-L353 HydrophobicContact CD1-CG 4.42Å; L343-L353 HydrophobicContact CG-CD1 4.46Å; L353-F355 HydrophobicContact CB-CE2 3.82Å; L353-F355 HydrophobicContact CB-CZ 4.4Å; L353-P370 HydrophobicContact CB-CB 4.49Å; L353-P370 HydrophobicContact CD2-CB 4.32Å; L353-P370 HydrophobicContact CD2-CG 4.43Å; L353-L372 HydrophobicContact CD2-CB 3.77Å; L353-L372 HydrophobicContact CD2-CD1 3.52Å; L353-L372 HydrophobicContact CD2-CG 4.21Å; L353-L372 HydrophobicContact CG-CD1 3.97Å |
| 354 | V | 92.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.9 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | L334 N338 L339 L340 P356 P370 Y371 F373 | L334-V354 HydrophobicContact CD2-CB 4.43Å; L334-V354 HydrophobicContact CD2-CG1 3.77Å; L334-V354 HydrophobicContact CD2-CG2 3.74Å; N338-V354 HydrophobicContact CB-CG1 3.7Å; L339-V354 CarbonylContact O-C 3.58Å; L339-V354 WeakPolarHBondContact O-CA 3.38Å; L340-V354 HydrophobicContact CB-CG2 4.29Å; L340-V354 HydrophobicContact CD1-CG2 3.54Å; V354-P356 WeakPolarHBondContact O-CD 3.5Å; V354-P370 CarbonylContact O-C 3.6Å; V354-P370 WeakPolarHBondContact O-CA 3.33Å; V354-P370 WeakPolarHBondContact O-CB 3.43Å; V354-Y371 HydrophobicContact CB-CD1 4.03Å; V354-Y371 HydrophobicContact CB-CE1 3.35Å; V354-Y371 HydrophobicContact CB-CE2 3.91Å; V354-Y371 WeakPolarHBondContact CB-OH 3.38Å; V354-Y371 HydrophobicContact CG1-CD1 4.26Å; V354-Y371 HydrophobicContact CG1-CE1 3.33Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.34Å; V354-Y371 HydrophobicContact CG2-CE1 4.33Å; V354-Y371 HydrophobicContact CG2-CE2 4.18Å; V354-Y371 WeakPolarHBondContact CG2-OH 3.21Å; V354-Y371 PolarHBondContact N-O 2.93Å; V354-Y371 PolarHBondContact O-N 3.13Å; V354-Y371 VanDerWaalsContact O-N 3.1Å; V354-F373 HydrophobicContact CG2-CE1 3.74Å |
| 355 | F | 91.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108.6 | -179.1 | -62.4 | -97.3 | 0 | 0 | 0 | 109.3 | F290 I292 W309 N338 L339 L341 L353 I357 L367 P370 | F290-F355 HydrophobicContact CE2-CZ 4.14Å; I292-F355 HydrophobicContact CD1-CD1 4.4Å; I292-F355 HydrophobicContact CD1-CD2 4.14Å; I292-F355 HydrophobicContact CD1-CE1 4.08Å; I292-F355 HydrophobicContact CD1-CE2 3.82Å; I292-F355 HydrophobicContact CD1-CG 4.43Å; I292-F355 HydrophobicContact CD1-CZ 3.79Å; W309-F355 AromaticContact CD2-CE1 3.89Å; W309-F355 HydrophobicContact CD2-CE1 3.89Å; W309-F355 AromaticContact CE2-CE1 3.83Å; W309-F355 HydrophobicContact CE3-CE1 4.39Å; W309-F355 HydrophobicContact CG-CE1 4.1Å; W309-F355 HydrophobicContact CZ2-CE1 4.29Å; W309-F355 AromaticContact NE1-CE1 3.96Å; N338-F355 WeakPolarHBondContact CA-O 3.38Å; L339-F355 HydrophobicContact CB-CB 4.26Å; L339-F355 PolarHBondContact N-O 3.46Å; L339-F355 PolarHBondContact O-N 3.22Å; L341-F355 HydrophobicContact CB-CD2 4.35Å; L341-F355 HydrophobicContact CB-CE2 3.87Å; L341-F355 HydrophobicContact CD2-CE2 3.89Å; L341-F355 HydrophobicContact CD2-CZ 4.38Å; L353-F355 HydrophobicContact CB-CE2 3.82Å; L353-F355 HydrophobicContact CB-CZ 4.4Å; F355-I357 PolarHBondContact O-N 3.07Å; F355-L367 HydrophobicContact CB-CD2 4.18Å; F355-L367 HydrophobicContact CD1-CB 4.21Å; F355-L367 HydrophobicContact CD1-CD1 4.12Å; F355-L367 HydrophobicContact CG-CD1 4.47Å; F355-P370 HydrophobicContact CD1-CB 3.67Å; F355-P370 HydrophobicContact CD1-CG 3.97Å; F355-P370 HydrophobicContact CD2-CB 4.22Å; F355-P370 HydrophobicContact CE1-CB 3.59Å; F355-P370 HydrophobicContact CE1-CG 3.47Å; F355-P370 VanDerWaalsContact CE1-CG 3.47Å; F355-P370 HydrophobicContact CE2-CB 4.13Å; F355-P370 HydrophobicContact CG-CB 4Å; F355-P370 HydrophobicContact CZ-CB 3.82Å; F355-P370 HydrophobicContact CZ-CG 3.82Å |
| 356 | P | 88.4 | Confident | 82 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 14% | 0.143 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131 | 167.6 | -9.9 | 22.3 | 0 | 0 | 0 | 110.1 | N338 V354 T368 | N338-P356 VanDerWaalsContact OD1-CA 3.26Å; N338-P356 WeakPolarHBondContact OD1-CA 3.36Å; N338-P356 WeakPolarHBondContact OD1-CB 3.19Å; V354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-T368 WeakPolarHBondContact CB-OG1 3.46Å; P356-T368 WeakPolarHBondContact CD-OG1 3.3Å; P356-T368 WeakPolarHBondContact CG-OG1 3.38Å; P356-T368 PolarHBondContact O-N 3.43Å; P356-T368 PolarHBondContact O-OG1 3.26Å |
| 357 | I | 84.5 | Confident | 82 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.3 | 179.2 | -63.3 | 162 | 0 | 0 | 0 | 109.5 | I232 R234 F280 L337 L339 F355 L365 L367 | I232-I357 HydrophobicContact CD1-CD1 3.25Å; R234-I357 PolarHBondContact NH1-O 3.26Å; F280-I357 HydrophobicContact CE2-CD1 3.85Å; F280-I357 HydrophobicContact CZ-CD1 3.65Å; F280-I357 HydrophobicContact CZ-CG1 4.21Å; L337-I357 WeakPolarHBondContact O-CB 3.18Å; L337-I357 PolarHBondContact O-N 2.95Å; L337-I357 VanDerWaalsContact O-N 3.08Å; L339-I357 HydrophobicContact CD1-CD1 3.93Å; L339-I357 HydrophobicContact CD1-CG1 4.2Å; L339-I357 HydrophobicContact CD2-CD1 4.42Å; L339-I357 HydrophobicContact CG-CD1 3.71Å; L339-I357 HydrophobicContact CG-CG1 4.29Å; F355-I357 PolarHBondContact O-N 3.07Å; I357-L365 HydrophobicContact CG2-CD1 3.53Å; I357-L365 HydrophobicContact CG2-CD2 3.95Å; I357-L365 HydrophobicContact CG2-CG 3.62Å; I357-L367 HydrophobicContact CG1-CD2 3.8Å |
| 358 | E | 81.2 | Confident | 81.9 | Confident | 58 Ų | 58 | 30.8 Ų | 30.8 | 27% | 0.271 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.1 | 176.4 | -62.4 | -164.3 | 149.1 | 0 | 0 | 111.6 | K239 L365 V366 T368 | K239-E358 IonicContact NZ-OE1 3.58Å; K239-E358 PolarHBondContact NZ-OE1 3.3Å; K239-E358 IonicContact NZ-OE2 2.66Å; E358-L365 WeakPolarHBondContact O-CA 2.94Å; E358-V366 PolarHBondContact N-O 2.88Å; E358-V366 PolarHBondContact O-N 3.49Å; E358-V366 VanDerWaalsContact O-O 3.12Å; E358-T368 HydrophobicContact CB-CG2 4.17Å; E358-T368 VanDerWaalsContact CD-CG2 3.44Å; E358-T368 HydrophobicContact CG-CG2 3.61Å; E358-T368 WeakPolarHBondContact OE2-CG2 3.4Å |
| 359 | Y | 74.6 | Confident | 81.8 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 18% | 0.184 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.4 | 164.8 | -71.3 | -84.1 | 0 | 0 | 0 | 108.4 | P236 G363 I364 L365 | P236-Y359 HydrophobicContact CB-CD2 4.44Å; P236-Y359 HydrophobicContact CB-CE2 4.01Å; Y359-G363 WeakPolarHBondContact CD1-O 3.39Å; Y359-I364 CarbonylContact C-O 3.58Å; Y359-I364 WeakPolarHBondContact CA-O 3.41Å; Y359-L365 HydrophobicContact CD1-CB 4.12Å; Y359-L365 HydrophobicContact CE1-CB 3.9Å; Y359-L365 HydrophobicContact CE1-CD1 4.14Å; Y359-L365 HydrophobicContact CE1-CG 4.48Å |
| 360 | S | 68.6 | Low | 81.6 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | trans | -59.6 | 161.5 | 166.7 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | T362 G363 I364 | S360-T362 PolarHBondContact O-N 2.92Å; S360-T362 VanDerWaalsContact O-N 3.09Å; S360-T362 PolarHBondContact OG-N 2.92Å; S360-T362 PolarHBondContact OG-OG1 2.84Å; S360-G363 PolarHBondContact O-N 2.9Å; S360-G363 PolarHBondContact OG-N 3.49Å; S360-I364 PolarHBondContact N-O 3.06Å; S360-I364 WeakPolarHBondContact OG-CB 3.37Å; S360-I364 PolarHBondContact OG-N 2.91Å; S360-I364 PolarHBondContact OG-O 3.49Å | ||
| 361 | P | 62 | Low | 81.3 | Confident | 108 Ų | 108 | 39.6 Ų | 39.6 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.6 | 170.6 | -25.1 | 34.8 | 0 | 0 | 0 | 113.4 | G363 | P361-G363 VanDerWaalsContact C-N 3.28Š|
| 362 | T | 62.7 | Low | 81.1 | Confident | 111 Ų | 111 | 41.8 Ų | 41.8 | 68% | 0.681 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.1 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | S360 | S360-T362 PolarHBondContact O-N 2.92Å; S360-T362 VanDerWaalsContact O-N 3.09Å; S360-T362 PolarHBondContact OG-N 2.92Å; S360-T362 PolarHBondContact OG-OG1 2.84Å |
| 363 | G | 67.9 | Low | 80.8 | Confident | 42 Ų | 42 | 43 Ų | 43 | 43% | 0.433 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 82.5 | 8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y359 S360 P361 | Y359-G363 WeakPolarHBondContact CD1-O 3.39Å; S360-G363 PolarHBondContact O-N 2.9Å; S360-G363 PolarHBondContact OG-N 3.49Å; P361-G363 VanDerWaalsContact C-N 3.28Å |
| 364 | I | 72.5 | Confident | 80.6 | Confident | 103 Ų | 103 | 47 Ų | 47 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | trans | -84.1 | 130.1 | 177.6 | -58.1 | 173.6 | 0 | 0 | 0 | 108.8 | Y359 S360 V366 | Y359-I364 CarbonylContact C-O 3.58Å; Y359-I364 WeakPolarHBondContact CA-O 3.41Å; S360-I364 PolarHBondContact N-O 3.06Å; S360-I364 WeakPolarHBondContact OG-CB 3.37Å; S360-I364 PolarHBondContact OG-N 2.91Å; S360-I364 PolarHBondContact OG-O 3.49Å; I364-V366 HydrophobicContact CG2-CG2 4.48Å | ||
| 365 | L | 79.3 | Confident | 80.4 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.6 | 175.7 | -175.9 | 149.2 | 0 | 0 | 0 | 110.5 | V278 F280 M294 L308 I357 E358 Y359 | V278-L365 HydrophobicContact CB-CD1 4.23Å; V278-L365 HydrophobicContact CG1-CD1 3.72Å; V278-L365 HydrophobicContact CG2-CD1 3.76Å; F280-L365 HydrophobicContact CE1-CD2 3.77Å; F280-L365 HydrophobicContact CZ-CD1 4.29Å; F280-L365 HydrophobicContact CZ-CD2 3.94Å; M294-L365 HydrophobicContact CE-CB 3.69Å; M294-L365 HydrophobicContact CE-CD2 3.89Å; M294-L365 HydrophobicContact CE-CG 4.36Å; M294-L365 HydrophobicContact SD-CB 4.38Å; L308-L365 HydrophobicContact CD1-CD2 3.92Å; I357-L365 HydrophobicContact CG2-CD1 3.53Å; I357-L365 HydrophobicContact CG2-CD2 3.95Å; I357-L365 HydrophobicContact CG2-CG 3.62Å; E358-L365 WeakPolarHBondContact O-CA 2.94Å; Y359-L365 HydrophobicContact CD1-CB 4.12Å; Y359-L365 HydrophobicContact CE1-CB 3.9Å; Y359-L365 HydrophobicContact CE1-CD1 4.14Å; Y359-L365 HydrophobicContact CE1-CG 4.48Å |
| 366 | V | 80.9 | Confident | 80.2 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.2 | -177.6 | -179 | 0 | 0 | 0 | 0 | 109 | E358 I364 | E358-V366 PolarHBondContact N-O 2.88Å; E358-V366 PolarHBondContact O-N 3.49Å; E358-V366 VanDerWaalsContact O-O 3.12Å; I364-V366 HydrophobicContact CG2-CG2 4.48Å |
| 367 | L | 85.6 | Confident | 79.9 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.1 | 167.5 | -59.8 | -179.5 | 0 | 0 | 0 | 108.9 | F280 I292 L308 W309 L339 F355 I357 | F280-L367 HydrophobicContact CE1-CD2 4.31Å; I292-L367 HydrophobicContact CB-CD1 4.15Å; I292-L367 HydrophobicContact CD1-CD1 3.93Å; I292-L367 HydrophobicContact CG2-CD1 3.93Å; L308-L367 HydrophobicContact CB-CD1 4.02Å; L308-L367 HydrophobicContact CB-CG 4.27Å; L308-L367 HydrophobicContact CD1-CD1 4.2Å; L308-L367 HydrophobicContact CD1-CG 4.07Å; W309-L367 HydrophobicContact CB-CD1 4.25Å; W309-L367 HydrophobicContact CE3-CB 4.27Å; L339-L367 HydrophobicContact CD1-CD2 3.99Å; F355-L367 HydrophobicContact CB-CD2 4.18Å; F355-L367 HydrophobicContact CD1-CB 4.21Å; F355-L367 HydrophobicContact CD1-CD1 4.12Å; F355-L367 HydrophobicContact CG-CD1 4.47Å; I357-L367 HydrophobicContact CG1-CD2 3.8Å |
| 368 | T | 83.6 | Confident | 79.6 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 167 | 171.7 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | P356 E358 P370 | P356-T368 WeakPolarHBondContact CB-OG1 3.46Å; P356-T368 WeakPolarHBondContact CD-OG1 3.3Å; P356-T368 WeakPolarHBondContact CG-OG1 3.38Å; P356-T368 PolarHBondContact O-N 3.43Å; P356-T368 PolarHBondContact O-OG1 3.26Å; E358-T368 HydrophobicContact CB-CG2 4.17Å; E358-T368 VanDerWaalsContact CD-CG2 3.44Å; E358-T368 HydrophobicContact CG-CG2 3.61Å; E358-T368 WeakPolarHBondContact OE2-CG2 3.4Å; T368-P370 WeakPolarHBondContact O-CD 3.22Å; T368-P370 VanDerWaalsContact O-N 3.13Å |
| 369 | V | 82.5 | Confident | 78.9 | Confident | 116 Ų | 116 | 55.7 Ų | 55.7 | 70% | 0.703 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 122.1 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 370 | P | 85 | Confident | 78.5 | Confident | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.4 | -178.8 | 28.4 | -35 | 0 | 0 | 0 | 110.1 | W309 L353 V354 F355 T368 | W309-P370 HydrophobicContact CH2-CG 4.37Å; W309-P370 HydrophobicContact CZ2-CG 3.94Å; L353-P370 HydrophobicContact CB-CB 4.49Å; L353-P370 HydrophobicContact CD2-CB 4.32Å; L353-P370 HydrophobicContact CD2-CG 4.43Å; V354-P370 CarbonylContact O-C 3.6Å; V354-P370 WeakPolarHBondContact O-CA 3.33Å; V354-P370 WeakPolarHBondContact O-CB 3.43Å; F355-P370 HydrophobicContact CD1-CB 3.67Å; F355-P370 HydrophobicContact CD1-CG 3.97Å; F355-P370 HydrophobicContact CD2-CB 4.22Å; F355-P370 HydrophobicContact CE1-CB 3.59Å; F355-P370 HydrophobicContact CE1-CG 3.47Å; F355-P370 VanDerWaalsContact CE1-CG 3.47Å; F355-P370 HydrophobicContact CE2-CB 4.13Å; F355-P370 HydrophobicContact CG-CB 4Å; F355-P370 HydrophobicContact CZ-CB 3.82Å; F355-P370 HydrophobicContact CZ-CG 3.82Å; T368-P370 WeakPolarHBondContact O-CD 3.22Å; T368-P370 VanDerWaalsContact O-N 3.13Å |
| 371 | Y | 85.2 | Confident | 78 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 139.8 | 162.7 | 71.9 | -92.5 | 0 | 0 | 0 | 109.4 | V354 F373 Y443 | V354-Y371 HydrophobicContact CB-CD1 4.03Å; V354-Y371 HydrophobicContact CB-CE1 3.35Å; V354-Y371 HydrophobicContact CB-CE2 3.91Å; V354-Y371 WeakPolarHBondContact CB-OH 3.38Å; V354-Y371 HydrophobicContact CG1-CD1 4.26Å; V354-Y371 HydrophobicContact CG1-CE1 3.33Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.34Å; V354-Y371 HydrophobicContact CG2-CE1 4.33Å; V354-Y371 HydrophobicContact CG2-CE2 4.18Å; V354-Y371 WeakPolarHBondContact CG2-OH 3.21Å; V354-Y371 PolarHBondContact N-O 2.93Å; V354-Y371 PolarHBondContact O-N 3.13Å; V354-Y371 VanDerWaalsContact O-N 3.1Å; Y371-F373 HydrophobicContact CD2-CD1 4.14Å; Y371-F373 AromaticContact CE2-CD1 3.67Å; Y371-F373 HydrophobicContact CE2-CD1 3.67Å; Y371-F373 AromaticContact CE2-CE1 3.96Å; Y371-F373 HydrophobicContact CE2-CE1 3.96Å; Y371-Y443 HydrophobicContact CE1-CD2 4.05Å; Y371-Y443 AromaticContact CZ-CD2 3.56Å; Y371-Y443 WeakPolarHBondContact OH-CB 3.39Å; Y371-Y443 WeakPolarHBondContact OH-CD2 3.28Å |
| 372 | L | 87.9 | Confident | 77.9 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 41% | 0.414 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.5 | -178.7 | 174.4 | 69.9 | 0 | 0 | 0 | 109.6 | K351 L353 | K351-L372 HydrophobicContact CB-CD1 3.88Å; K351-L372 HydrophobicContact CD-CD1 3.93Å; K351-L372 HydrophobicContact CD-CD2 4.46Å; K351-L372 HydrophobicContact CG-CD1 4.25Å; L353-L372 HydrophobicContact CD2-CB 3.77Å; L353-L372 HydrophobicContact CD2-CD1 3.52Å; L353-L372 HydrophobicContact CD2-CG 4.21Å; L353-L372 HydrophobicContact CG-CD1 3.97Å |
| 373 | F | 87.6 | Confident | 78.2 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.7 | 164.2 | 63.7 | -81 | 0 | 0 | 0 | 110.9 | L340 G352 V354 Y371 L375 I410 V445 | L340-F373 HydrophobicContact CD1-CE1 4.19Å; L340-F373 HydrophobicContact CD1-CZ 3.99Å; G352-F373 PolarHBondContact N-O 2.91Å; G352-F373 WeakPolarHBondContact O-CD1 3.32Å; G352-F373 PolarHBondContact O-N 2.9Å; V354-F373 HydrophobicContact CG2-CE1 3.74Å; Y371-F373 HydrophobicContact CD2-CD1 4.14Å; Y371-F373 AromaticContact CE2-CD1 3.67Å; Y371-F373 HydrophobicContact CE2-CD1 3.67Å; Y371-F373 AromaticContact CE2-CE1 3.96Å; Y371-F373 HydrophobicContact CE2-CE1 3.96Å; F373-L375 HydrophobicContact CD2-CD2 4.23Å; F373-L375 HydrophobicContact CD2-CG 4.33Å; F373-L375 HydrophobicContact CE2-CD2 3.5Å; F373-L375 HydrophobicContact CE2-CG 3.89Å; F373-L375 HydrophobicContact CZ-CD2 4.36Å; F373-I410 HydrophobicContact CZ-CD1 4.36Å; F373-V445 HydrophobicContact CD2-CG2 4.02Å; F373-V445 HydrophobicContact CE2-CG2 3.91Å |
| 374 | N | 88.2 | Confident | 78.6 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.7 | 176.4 | -62.7 | -51.7 | 0 | 0 | 0 | 108.7 | T377 | N374-T377 HydrophobicContact CB-CG2 3.56Å |
| 375 | L | 89.7 | Confident | 79.3 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -46 | 172.1 | -74.7 | 164.7 | 0 | 0 | 0 | 109.6 | V342 V350 F373 L397 F408 I410 V445 | V342-L375 HydrophobicContact CG1-CD1 4.21Å; V342-L375 HydrophobicContact CG2-CD1 4.47Å; V350-L375 HydrophobicContact CB-CB 4.14Å; V350-L375 HydrophobicContact CG1-CB 4.01Å; V350-L375 HydrophobicContact CG1-CD1 3.86Å; V350-L375 PolarHBondContact O-N 3.07Å; F373-L375 HydrophobicContact CD2-CD2 4.23Å; F373-L375 HydrophobicContact CD2-CG 4.33Å; F373-L375 HydrophobicContact CE2-CD2 3.5Å; F373-L375 HydrophobicContact CE2-CG 3.89Å; F373-L375 HydrophobicContact CZ-CD2 4.36Å; L375-L397 HydrophobicContact CD1-CD2 3.7Å; L375-L397 HydrophobicContact CD2-CD2 4.1Å; L375-F408 HydrophobicContact CB-CE1 4.24Å; L375-F408 HydrophobicContact CB-CE2 4.29Å; L375-F408 HydrophobicContact CB-CZ 4.09Å; L375-F408 HydrophobicContact CD2-CB 4.09Å; L375-F408 HydrophobicContact CD2-CD1 4.1Å; L375-F408 HydrophobicContact CD2-CD2 4.08Å; L375-F408 HydrophobicContact CD2-CG 3.81Å; L375-F408 WeakPolarHBondContact O-CE1 3.3Å; L375-I410 HydrophobicContact CD2-CD1 4.4Å; L375-V445 HydrophobicContact CD2-CG2 3.9Å |
| 376 | W | 87.3 | Confident | 79.7 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 13% | 0.125 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 123.8 | -177.6 | -163.1 | -107.2 | 0 | 0 | 0 | 110.5 | S349 V350 T378 Y401 L406 F408 V450 | S349-W376 CarbonylContact C-O 3.47Å; S349-W376 WeakPolarHBondContact CA-O 3.49Å; V350-W376 HydrophobicContact CB-CB 3.85Å; V350-W376 HydrophobicContact CG2-CB 3.99Å; V350-W376 PolarHBondContact N-O 2.96Å; V350-W376 PolarHBondContact O-N 3.33Å; W376-T378 VanDerWaalsContact CD1-O 3.29Å; W376-T378 WeakPolarHBondContact CZ2-OG1 3.35Å; W376-T378 PolarHBondContact NE1-O 3.36Å; W376-T378 PolarHBondContact NE1-OG1 3.49Å; W376-T378 VanDerWaalsContact NE1-OG1 3.13Å; W376-Y401 AromaticContact NE1-CE1 3.92Å; W376-L406 HydrophobicContact CB-CD1 4.14Å; W376-L406 HydrophobicContact CD2-CD1 3.9Å; W376-L406 HydrophobicContact CD2-CD2 4.07Å; W376-L406 HydrophobicContact CE3-CD1 4.41Å; W376-L406 HydrophobicContact CE3-CD2 4.17Å; W376-L406 HydrophobicContact CG-CD1 3.78Å; W376-L406 HydrophobicContact CH2-CD2 4.15Å; W376-L406 HydrophobicContact CZ2-CD2 4Å; W376-L406 HydrophobicContact CZ3-CD2 4.2Å; W376-F408 HydrophobicContact CB-CZ 4.15Å; W376-F408 HydrophobicContact CE3-CE1 4.04Å; W376-F408 HydrophobicContact CE3-CZ 4.07Å; W376-V450 HydrophobicContact CH2-CG2 3.26Å; W376-V450 HydrophobicContact CZ2-CG2 3.96Å; W376-V450 HydrophobicContact CZ3-CG2 3.84Å |
| 377 | T | 82.2 | Confident | 80.1 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | trans | -112.9 | -19.6 | -177.7 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | N374 P379 | N374-T377 HydrophobicContact CB-CG2 3.56Å; T377-P379 WeakPolarHBondContact O-CD 3.35Å | ||
| 378 | T | 76.6 | Confident | 80.5 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -77.4 | 107.7 | 179.7 | 42.7 | 0 | 0 | 0 | 0 | 110 | W376 L380 | W376-T378 VanDerWaalsContact CD1-O 3.29Å; W376-T378 WeakPolarHBondContact CZ2-OG1 3.35Å; W376-T378 PolarHBondContact NE1-O 3.36Å; W376-T378 PolarHBondContact NE1-OG1 3.49Å; W376-T378 VanDerWaalsContact NE1-OG1 3.13Å; T378-L380 PolarHBondContact O-N 2.93Å |
| 379 | P | 66.1 | Low | 81 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | trans | -72.2 | 127 | -179 | 31.3 | -33.4 | 0 | 0 | 0 | 109.7 | D347 T377 | D347-P379 WeakPolarHBondContact O-CB 3.42Å; T377-P379 WeakPolarHBondContact O-CD 3.35Å | ||
| 380 | L | 67.1 | Low | 81.6 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | trans | -93.2 | 114.1 | 150.9 | -69.6 | 178.2 | 0 | 0 | 0 | 105.8 | T378 H382 V383 Y401 | T378-L380 PolarHBondContact O-N 2.93Å; L380-H382 PolarHBondContact O-N 3.27Å; L380-V383 HydrophobicContact CB-CB 4.37Å; L380-V383 HydrophobicContact CB-CG2 3.37Å; L380-V383 HydrophobicContact CD1-CG2 4.37Å; L380-V383 WeakPolarHBondContact O-CG2 3.29Å; L380-V383 PolarHBondContact O-N 3.42Å; L380-Y401 HydrophobicContact CB-CE1 3.81Å; L380-Y401 HydrophobicContact CD1-CD1 4.1Å; L380-Y401 HydrophobicContact CD1-CE1 3.67Å; L380-Y401 HydrophobicContact CG-CE1 3.89Å; L380-Y401 PolarHBondContact N-OH 3.15Å; L380-Y401 VanDerWaalsContact N-OH 3.14Å | ||
| 381 | Y | 57.3 | Low | 81.9 | Confident | 193 Ų | 193 | 55.1 Ų | 55.1 | 76% | 0.757 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 137.1 | -177.7 | -72.1 | -81.6 | 0 | 0 | 0 | 111.4 | V383 | Y381-V383 VanDerWaalsContact C-N 3.29Å; Y381-V383 PolarHBondContact O-N 3.02Å |
| 382 | H | 61 | Low | 82 | Confident | 164 Ų | 164 | 56 Ų | 56 | 76% | 0.759 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 27.1 | 177.8 | -54 | -69.9 | 0 | 0 | 0 | 115.7 | L380 | L380-H382 PolarHBondContact O-N 3.27Š|
| 383 | V | 68.7 | Low | 81.9 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 129.4 | 173 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L380 Y381 Y401 | L380-V383 HydrophobicContact CB-CB 4.37Å; L380-V383 HydrophobicContact CB-CG2 3.37Å; L380-V383 HydrophobicContact CD1-CG2 4.37Å; L380-V383 WeakPolarHBondContact O-CG2 3.29Å; L380-V383 PolarHBondContact O-N 3.42Å; Y381-V383 VanDerWaalsContact C-N 3.29Å; Y381-V383 PolarHBondContact O-N 3.02Å; V383-Y401 HydrophobicContact CB-CE1 4.11Å; V383-Y401 HydrophobicContact CB-CE2 4.05Å; V383-Y401 VanDerWaalsContact CG1-C 3.42Å; V383-Y401 HydrophobicContact CG1-CD1 3.79Å; V383-Y401 HydrophobicContact CG1-CD2 3.54Å; V383-Y401 HydrophobicContact CG1-CE1 3.83Å; V383-Y401 HydrophobicContact CG1-CE2 3.55Å; V383-Y401 HydrophobicContact CG1-CG 3.65Å; V383-Y401 HydrophobicContact CG2-CE1 4.1Å |
| 384 | T | 76.2 | Confident | 81.8 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 136.6 | 173.8 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | G402 | T384-G402 PolarHBondContact O-N 3.04Š|
| 385 | I | 87.2 | Confident | 81.8 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.5 | 170.1 | -59.6 | 177.1 | 0 | 0 | 0 | 106.9 | Y328 V350 I399 Y401 | Y328-I385 HydrophobicContact CD1-CB 4.38Å; Y328-I385 HydrophobicContact CD1-CG2 3.61Å; Y328-I385 HydrophobicContact CD2-CB 4.5Å; Y328-I385 HydrophobicContact CD2-CG2 4.02Å; Y328-I385 VanDerWaalsContact CD2-O 3.31Å; Y328-I385 WeakPolarHBondContact CD2-O 3.27Å; Y328-I385 HydrophobicContact CE1-CG2 3.84Å; Y328-I385 HydrophobicContact CE2-CG2 4.23Å; Y328-I385 HydrophobicContact CG-CB 4.1Å; Y328-I385 HydrophobicContact CG-CG2 3.7Å; V350-I385 HydrophobicContact CG2-CD1 3.48Å; V350-I385 VanDerWaalsContact CG2-CD1 3.48Å; I385-I399 HydrophobicContact CD1-CG2 4.16Å; I385-I399 HydrophobicContact CG1-CG2 4.37Å; I385-I399 HydrophobicContact CG2-CG2 3.68Å; I385-Y401 HydrophobicContact CD1-CD2 3.94Å; I385-Y401 HydrophobicContact CD1-CE2 4.28Å; I385-Y401 HydrophobicContact CG1-CD2 3.9Å; I385-Y401 HydrophobicContact CG1-CE2 4.42Å |
| 386 | L | 87.3 | Confident | 81.9 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -28.1 | -177.6 | -60.2 | 178.4 | 0 | 0 | 0 | 112 | T461 | L386-T461 HydrophobicContact CD1-CG2 4.32Å |
| 387 | A | 90.6 | Very high | 82.3 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G400 I463 | A387-G400 PolarHBondContact O-N 2.79Å; A387-I463 HydrophobicContact CB-CB 4.17Å; A387-I463 HydrophobicContact CB-CD1 4.29Å; A387-I463 HydrophobicContact CB-CG1 3.93Å |
| 388 | S | 94.3 | Very high | 82.8 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159 | 166.2 | 62.5 | 0 | 0 | 0 | 0 | 108.7 | Y328 Y332 C398 | Y328-S388 PolarHBondContact OH-N 3.2Å; Y328-S388 VanDerWaalsContact OH-N 3.13Å; Y328-S388 PolarHBondContact OH-OG 2.98Å; Y332-S388 WeakPolarHBondContact OH-CB 3.43Å; Y332-S388 PolarHBondContact OH-O 3.17Å; Y332-S388 PolarHBondContact OH-OG 3.05Å; S388-C398 CarbonylContact C-O 3.55Å; S388-C398 WeakPolarHBondContact CA-O 3.42Å; S388-C398 VanDerWaalsContact CB-O 3.23Å; S388-C398 WeakPolarHBondContact CB-O 3.34Å |
| 389 | A | 94.1 | Very high | 83.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y332 C398 I463 L465 | Y332-A389 VanDerWaalsContact OH-CA 3.31Å; Y332-A389 WeakPolarHBondContact OH-CA 3.3Å; Y332-A389 PolarHBondContact OH-N 2.91Å; Y332-A389 VanDerWaalsContact OH-N 3.16Å; A389-C398 PolarHBondContact N-O 3.37Å; A389-C398 PolarHBondContact O-N 2.97Å; A389-I463 HydrophobicContact CB-CB 4.47Å; A389-I463 HydrophobicContact CB-CG2 3.73Å; A389-L465 HydrophobicContact CB-CB 3.6Å |
| 390 | W | 94.1 | Very high | 84.9 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 13% | 0.125 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.3 | 179.8 | 168.3 | -112.3 | 0 | 0 | 0 | 109.8 | Y332 D333 L334 R395 L397 I410 | Y332-W390 HydrophobicContact CD1-CB 3.4Å; Y332-W390 VanDerWaalsContact CD1-CB 3.4Å; Y332-W390 HydrophobicContact CD1-CG 4.15Å; Y332-W390 HydrophobicContact CD2-CB 4.04Å; Y332-W390 HydrophobicContact CE1-CB 3.55Å; Y332-W390 HydrophobicContact CE2-CB 4.18Å; Y332-W390 HydrophobicContact CG-CB 3.62Å; Y332-W390 HydrophobicContact CG-CG 4.08Å; D333-W390 PolarHBondContact O-NE1 3.09Å; L334-W390 HydrophobicContact CD1-CH2 3.86Å; L334-W390 HydrophobicContact CD1-CZ2 3.72Å; W390-R395 VanDerWaalsContact CH2-CA 3.41Å; W390-R395 HydrophobicContact CH2-CB 3.99Å; W390-R395 WeakPolarHBondContact CZ3-O 3.27Å; W390-L397 HydrophobicContact CB-CD1 4.41Å; W390-L397 HydrophobicContact CE3-CB 3.75Å; W390-L397 HydrophobicContact CE3-CD1 4.49Å; W390-L397 HydrophobicContact CZ3-CB 4.06Å; W390-I410 HydrophobicContact CH2-CB 4.11Å; W390-I410 HydrophobicContact CH2-CD1 4.45Å; W390-I410 HydrophobicContact CZ3-CB 4.16Å; W390-I410 HydrophobicContact CZ3-CD1 3.89Å; W390-I410 HydrophobicContact CZ3-CG1 4.23Å |
| 391 | S | 91.2 | Very high | 86 | Confident | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.6 | 170.7 | 172.9 | 0 | 0 | 0 | 0 | 108.7 | S393 R394 R395 L396 | S391-S393 PolarHBondContact OG-OG 2.82Å; S391-R394 PolarHBondContact OG-N 2.84Å; S391-R395 CarbonylContact O-C 3.56Å; S391-R395 WeakPolarHBondContact O-CA 3.47Å; S391-R395 PolarHBondContact O-N 2.98Å; S391-L396 PolarHBondContact N-O 3.44Å; S391-L396 PolarHBondContact O-N 3.22Å |
| 392 | M | 87.3 | Confident | 87.4 | Confident | 69 Ų | 69 | 34.9 Ų | 34.9 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -39.2 | -179.4 | -170.2 | -166.5 | -163.7 | 0 | 0 | 112.3 | N336 R395 | N336-M392 HydrophobicContact CB-CE 4.44Å; N336-M392 VanDerWaalsContact N-CE 3.34Å; N336-M392 WeakPolarHBondContact ND2-CE 3.15Å; M392-R395 WeakPolarHBondContact O-CG 3.39Å; M392-R395 PolarHBondContact O-N 3.48Å |
| 393 | S | 85.4 | Confident | 88.6 | Confident | 80 Ų | 80 | 32.4 Ų | 32.4 | 56% | 0.559 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -45.6 | 178.5 | 50.2 | 0 | 0 | 0 | 0 | 112 | S391 N467 | S391-S393 PolarHBondContact OG-OG 2.82Å; S393-N467 PolarHBondContact OG-OD1 2.88Å |
| 394 | R | 86 | Confident | 89.6 | Confident | 77 Ų | 77 | 33.7 Ų | 33.7 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -8.4 | 176.6 | -69.5 | -168.3 | 167.9 | -115.4 | 6.4 | 113.4 | S391 L396 N467 L484 D485 | S391-R394 PolarHBondContact OG-N 2.84Å; R394-L396 HydrophobicContact CB-CB 3.98Å; R394-L396 PolarHBondContact O-N 2.84Å; R394-N467 PolarHBondContact NE-O 3.32Å; R394-N467 PolarHBondContact NH2-O 3.39Å; R394-L484 PolarHBondContact NH1-O 3.09Å; R394-D485 IonicContact NH2-OD1 3.23Å; R394-D485 PolarHBondContact NH2-OD1 2.69Å |
| 395 | R | 89.2 | Confident | 90.2 | Very high | 125 Ų | 125 | 31.2 Ų | 31.2 | 47% | 0.472 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.3 | -171.5 | -51.9 | 179.8 | 176.3 | 176 | -3 | 112.9 | W390 S391 M392 I410 | W390-R395 VanDerWaalsContact CH2-CA 3.41Å; W390-R395 HydrophobicContact CH2-CB 3.99Å; W390-R395 WeakPolarHBondContact CZ3-O 3.27Å; S391-R395 CarbonylContact O-C 3.56Å; S391-R395 WeakPolarHBondContact O-CA 3.47Å; S391-R395 PolarHBondContact O-N 2.98Å; M392-R395 WeakPolarHBondContact O-CG 3.39Å; M392-R395 PolarHBondContact O-N 3.48Å; R395-I410 WeakPolarHBondContact CB-O 3.44Å; R395-I410 PolarHBondContact O-N 3.46Å |
| 396 | L | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123 | -170.8 | -172.5 | 69 | 0 | 0 | 0 | 110 | S391 R394 L407 L465 L484 | S391-L396 PolarHBondContact N-O 3.44Å; S391-L396 PolarHBondContact O-N 3.22Å; R394-L396 HydrophobicContact CB-CB 3.98Å; R394-L396 PolarHBondContact O-N 2.84Å; L396-L407 HydrophobicContact CD1-CB 4.24Å; L396-L407 HydrophobicContact CD2-CD2 4.29Å; L396-L465 HydrophobicContact CB-CD2 4.47Å; L396-L465 HydrophobicContact CD2-CD1 4.33Å; L396-L465 HydrophobicContact CD2-CD2 4.47Å; L396-L465 WeakPolarHBondContact O-CD2 3.38Å; L396-L484 HydrophobicContact CD2-CD2 4.17Å |
| 397 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.4 | 172.7 | 176.9 | 66.5 | 0 | 0 | 0 | 109.5 | Y332 L340 V342 L375 W390 I399 L407 F408 I410 | Y332-L397 HydrophobicContact CD2-CD1 4.34Å; Y332-L397 HydrophobicContact CE2-CD1 3.81Å; L340-L397 HydrophobicContact CD2-CD2 4.41Å; V342-L397 HydrophobicContact CG2-CD1 4.14Å; V342-L397 HydrophobicContact CG2-CD2 3.84Å; L375-L397 HydrophobicContact CD1-CD2 3.7Å; L375-L397 HydrophobicContact CD2-CD2 4.1Å; W390-L397 HydrophobicContact CB-CD1 4.41Å; W390-L397 HydrophobicContact CE3-CB 3.75Å; W390-L397 HydrophobicContact CE3-CD1 4.49Å; W390-L397 HydrophobicContact CZ3-CB 4.06Å; L397-I399 HydrophobicContact CD1-CG1 4.43Å; L397-I399 HydrophobicContact CD2-CD1 4.02Å; L397-I399 HydrophobicContact CD2-CG1 4.39Å; L397-I399 HydrophobicContact CG-CD1 4.27Å; L397-I399 HydrophobicContact CG-CG1 4.08Å; L397-L407 CarbonylContact O-C 3.6Å; L397-L407 WeakPolarHBondContact O-CA 3.44Å; L397-F408 HydrophobicContact CB-CB 4.26Å; L397-F408 HydrophobicContact CD2-CD2 4.19Å; L397-F408 HydrophobicContact CG-CD2 4.36Å; L397-F408 PolarHBondContact N-O 3.03Å; L397-F408 PolarHBondContact O-N 3.38Å; L397-I410 HydrophobicContact CB-CD1 3.99Å; L397-I410 HydrophobicContact CD2-CD1 4.04Å |
| 398 | C | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.9 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 110 | S388 A389 L405 L406 I463 L465 L470 | S388-C398 CarbonylContact C-O 3.55Å; S388-C398 WeakPolarHBondContact CA-O 3.42Å; S388-C398 VanDerWaalsContact CB-O 3.23Å; S388-C398 WeakPolarHBondContact CB-O 3.34Å; A389-C398 PolarHBondContact N-O 3.37Å; A389-C398 PolarHBondContact O-N 2.97Å; C398-L405 HydrophobicContact CB-CD1 4.35Å; C398-L406 CarbonylContact C-O 3.57Å; C398-L406 WeakPolarHBondContact CA-O 3.46Å; C398-I463 HydrophobicContact CB-CG2 4.31Å; C398-L465 HydrophobicContact CB-CD2 4.45Å; C398-L470 HydrophobicContact CB-CD1 4.45Å |
| 399 | I | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.6 | -179.2 | -54.3 | -175.8 | 0 | 0 | 0 | 110 | V342 V350 I385 L397 Y401 L406 F408 | V342-I399 HydrophobicContact CG1-CD1 3.83Å; V350-I399 HydrophobicContact CG1-CD1 3.66Å; I385-I399 HydrophobicContact CD1-CG2 4.16Å; I385-I399 HydrophobicContact CG1-CG2 4.37Å; I385-I399 HydrophobicContact CG2-CG2 3.68Å; L397-I399 HydrophobicContact CD1-CG1 4.43Å; L397-I399 HydrophobicContact CD2-CD1 4.02Å; L397-I399 HydrophobicContact CD2-CG1 4.39Å; L397-I399 HydrophobicContact CG-CD1 4.27Å; L397-I399 HydrophobicContact CG-CG1 4.08Å; I399-Y401 PolarHBondContact O-N 3.22Å; I399-L406 HydrophobicContact CB-CB 4.36Å; I399-L406 PolarHBondContact N-O 2.79Å; I399-L406 PolarHBondContact O-N 3.11Å; I399-F408 HydrophobicContact CD1-CD2 4.29Å; I399-F408 HydrophobicContact CD1-CE2 3.86Å; I399-F408 HydrophobicContact CG1-CE2 4.28Å |
| 400 | G | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 104.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A387 | A387-G400 PolarHBondContact O-N 2.79Å |
| 401 | Y | 90.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 81.4 | -174.2 | -169.8 | -106.7 | 0 | 0 | 0 | 109.4 | G348 V350 W376 L380 V383 I385 I399 R403 H404 L406 | G348-Y401 VanDerWaalsContact C-OH 3.24Å; G348-Y401 VanDerWaalsContact CA-OH 3.22Å; G348-Y401 WeakPolarHBondContact CA-OH 3.35Å; G348-Y401 WeakPolarHBondContact O-CE2 3.34Å; G348-Y401 PolarHBondContact O-OH 2.99Å; V350-Y401 HydrophobicContact CG2-CD2 4.47Å; V350-Y401 HydrophobicContact CG2-CE2 4.41Å; W376-Y401 AromaticContact NE1-CE1 3.92Å; L380-Y401 HydrophobicContact CB-CE1 3.81Å; L380-Y401 HydrophobicContact CD1-CD1 4.1Å; L380-Y401 HydrophobicContact CD1-CE1 3.67Å; L380-Y401 HydrophobicContact CG-CE1 3.89Å; L380-Y401 PolarHBondContact N-OH 3.15Å; L380-Y401 VanDerWaalsContact N-OH 3.14Å; V383-Y401 HydrophobicContact CB-CE1 4.11Å; V383-Y401 HydrophobicContact CB-CE2 4.05Å; V383-Y401 VanDerWaalsContact CG1-C 3.42Å; V383-Y401 HydrophobicContact CG1-CD1 3.79Å; V383-Y401 HydrophobicContact CG1-CD2 3.54Å; V383-Y401 HydrophobicContact CG1-CE1 3.83Å; V383-Y401 HydrophobicContact CG1-CE2 3.55Å; V383-Y401 HydrophobicContact CG1-CG 3.65Å; V383-Y401 HydrophobicContact CG2-CE1 4.1Å; I385-Y401 HydrophobicContact CD1-CD2 3.94Å; I385-Y401 HydrophobicContact CD1-CE2 4.28Å; I385-Y401 HydrophobicContact CG1-CD2 3.9Å; I385-Y401 HydrophobicContact CG1-CE2 4.42Å; I399-Y401 PolarHBondContact O-N 3.22Å; Y401-R403 PolarHBondContact O-N 3.41Å; Y401-R403 VanDerWaalsContact O-N 3.17Å; Y401-H404 CarbonylContact C-O 3.58Å; Y401-H404 WeakPolarHBondContact CA-O 3.4Å; Y401-H404 PolarHBondContact N-O 2.87Å; Y401-H404 PolarHBondContact O-N 3.48Å; Y401-L406 HydrophobicContact CD1-CD1 4.09Å; Y401-L406 HydrophobicContact CD1-CD2 4.44Å; Y401-L406 HydrophobicContact CD1-CG 4.38Å; Y401-L406 HydrophobicContact CD2-CD1 3.86Å; Y401-L406 HydrophobicContact CG-CD1 3.59Å; Y401-L406 HydrophobicContact CG-CG 4.02Å |
| 402 | G | 87 | Confident | 89.4 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -118.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T384 H404 Y459 V460 | T384-G402 PolarHBondContact O-N 3.04Å; G402-H404 VanDerWaalsContact C-N 3.34Å; G402-Y459 VanDerWaalsContact CA-CD1 3.5Å; G402-Y459 CarbonylContact O-C 3.59Å; G402-Y459 VanDerWaalsContact O-CA 3.27Å; G402-Y459 WeakPolarHBondContact O-CA 3.42Å; G402-V460 PolarHBondContact O-N 3.17Å |
| 403 | R | 86.8 | Confident | 88.9 | Confident | 112 Ų | 112 | 31.6 Ų | 31.6 | 42% | 0.423 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.6 | 178.2 | -45.1 | 179.4 | -168.5 | -176.2 | 2.8 | 113.1 | Y401 L457 G458 Y459 | Y401-R403 PolarHBondContact O-N 3.41Å; Y401-R403 VanDerWaalsContact O-N 3.17Å; R403-L457 WeakPolarHBondContact CD-O 3.47Å; R403-L457 VanDerWaalsContact CZ-O 3.23Å; R403-L457 PolarHBondContact NE-O 3.09Å; R403-G458 WeakPolarHBondContact CG-O 3.24Å; R403-Y459 HydrophobicContact CG-CD1 4.3Å |
| 404 | H | 88.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 21% | 0.208 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 157.1 | -177.2 | -56.2 | -72.4 | 0 | 0 | 0 | 109.8 | Y401 G402 V450 | Y401-H404 CarbonylContact C-O 3.58Å; Y401-H404 WeakPolarHBondContact CA-O 3.4Å; Y401-H404 PolarHBondContact N-O 2.87Å; Y401-H404 PolarHBondContact O-N 3.48Å; G402-H404 VanDerWaalsContact C-N 3.34Å; H404-V450 HydrophobicContact CB-CG1 4.09Å |
| 405 | L | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.9 | 169.6 | -177.5 | 78 | 0 | 0 | 0 | 108 | C398 L407 V450 S451 I463 L470 L492 W494 | C398-L405 HydrophobicContact CB-CD1 4.35Å; L405-L407 HydrophobicContact CD2-CD1 3.72Å; L405-L407 HydrophobicContact CD2-CD2 4.27Å; L405-L407 HydrophobicContact CD2-CG 4.01Å; L405-L407 HydrophobicContact CG-CD1 4Å; L405-L407 HydrophobicContact CG-CG 4.27Å; L405-V450 WeakPolarHBondContact O-CA 3.18Å; L405-S451 PolarHBondContact N-O 3.26Å; L405-S451 PolarHBondContact O-N 3.29Å; L405-I463 HydrophobicContact CD1-CD1 3.64Å; L405-L470 HydrophobicContact CD1-CD2 4.35Å; L405-L470 HydrophobicContact CD2-CD2 3.24Å; L405-L470 HydrophobicContact CG-CD2 4.38Å; L405-L492 HydrophobicContact CD2-CD1 4.03Å; L405-W494 HydrophobicContact CD2-CH2 3.85Å; L405-W494 HydrophobicContact CD2-CZ2 3.69Å |
| 406 | L | 91.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.6 | 171 | -53.1 | 176.8 | 0 | 0 | 0 | 108.5 | W376 C398 I399 Y401 F408 V450 | W376-L406 HydrophobicContact CB-CD1 4.14Å; W376-L406 HydrophobicContact CD2-CD1 3.9Å; W376-L406 HydrophobicContact CD2-CD2 4.07Å; W376-L406 HydrophobicContact CE3-CD1 4.41Å; W376-L406 HydrophobicContact CE3-CD2 4.17Å; W376-L406 HydrophobicContact CG-CD1 3.78Å; W376-L406 HydrophobicContact CH2-CD2 4.15Å; W376-L406 HydrophobicContact CZ2-CD2 4Å; W376-L406 HydrophobicContact CZ3-CD2 4.2Å; C398-L406 CarbonylContact C-O 3.57Å; C398-L406 WeakPolarHBondContact CA-O 3.46Å; I399-L406 HydrophobicContact CB-CB 4.36Å; I399-L406 PolarHBondContact N-O 2.79Å; I399-L406 PolarHBondContact O-N 3.11Å; Y401-L406 HydrophobicContact CD1-CD1 4.09Å; Y401-L406 HydrophobicContact CD1-CD2 4.44Å; Y401-L406 HydrophobicContact CD1-CG 4.38Å; Y401-L406 HydrophobicContact CD2-CD1 3.86Å; Y401-L406 HydrophobicContact CG-CD1 3.59Å; Y401-L406 HydrophobicContact CG-CG 4.02Å; L406-F408 HydrophobicContact CB-CD2 4.47Å; L406-F408 HydrophobicContact CB-CE2 3.52Å; L406-F408 HydrophobicContact CB-CZ 3.68Å; L406-F408 HydrophobicContact CD1-CE2 4.29Å; L406-F408 HydrophobicContact CD1-CZ 4.01Å; L406-F408 HydrophobicContact CG-CZ 4.39Å; L406-V450 HydrophobicContact CD2-CB 4.44Å; L406-V450 HydrophobicContact CD2-CG1 4.19Å; L406-V450 HydrophobicContact CD2-CG2 3.73Å |
| 407 | L | 90.9 | Very high | 82.2 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.9 | 173.9 | -55.3 | 95.1 | 0 | 0 | 0 | 109.6 | L396 L397 L405 Q448 F449 L492 | L396-L407 HydrophobicContact CD1-CB 4.24Å; L396-L407 HydrophobicContact CD2-CD2 4.29Å; L397-L407 CarbonylContact O-C 3.6Å; L397-L407 WeakPolarHBondContact O-CA 3.44Å; L405-L407 HydrophobicContact CD2-CD1 3.72Å; L405-L407 HydrophobicContact CD2-CD2 4.27Å; L405-L407 HydrophobicContact CD2-CG 4.01Å; L405-L407 HydrophobicContact CG-CD1 4Å; L405-L407 HydrophobicContact CG-CG 4.27Å; L407-Q448 CarbonylContact O-C 3.5Å; L407-Q448 WeakPolarHBondContact O-CA 3Å; L407-F449 HydrophobicContact CB-CB 4.23Å; L407-F449 HydrophobicContact CB-CD2 4.36Å; L407-F449 HydrophobicContact CD1-CB 4.21Å; L407-F449 PolarHBondContact N-O 3.49Å; L407-F449 PolarHBondContact O-N 3.14Å; L407-L492 HydrophobicContact CD1-CD1 3.94Å; L407-L492 HydrophobicContact CD2-CD1 3.98Å |
| 408 | F | 91.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122 | 179.3 | -54.5 | -79.2 | 0 | 0 | 0 | 110 | L375 W376 L397 I399 L406 I410 V445 Q448 | L375-F408 HydrophobicContact CB-CE1 4.24Å; L375-F408 HydrophobicContact CB-CE2 4.29Å; L375-F408 HydrophobicContact CB-CZ 4.09Å; L375-F408 HydrophobicContact CD2-CB 4.09Å; L375-F408 HydrophobicContact CD2-CD1 4.1Å; L375-F408 HydrophobicContact CD2-CD2 4.08Å; L375-F408 HydrophobicContact CD2-CG 3.81Å; L375-F408 WeakPolarHBondContact O-CE1 3.3Å; W376-F408 HydrophobicContact CB-CZ 4.15Å; W376-F408 HydrophobicContact CE3-CE1 4.04Å; W376-F408 HydrophobicContact CE3-CZ 4.07Å; L397-F408 HydrophobicContact CB-CB 4.26Å; L397-F408 HydrophobicContact CD2-CD2 4.19Å; L397-F408 HydrophobicContact CG-CD2 4.36Å; L397-F408 PolarHBondContact N-O 3.03Å; L397-F408 PolarHBondContact O-N 3.38Å; I399-F408 HydrophobicContact CD1-CD2 4.29Å; I399-F408 HydrophobicContact CD1-CE2 3.86Å; I399-F408 HydrophobicContact CG1-CE2 4.28Å; L406-F408 HydrophobicContact CB-CD2 4.47Å; L406-F408 HydrophobicContact CB-CE2 3.52Å; L406-F408 HydrophobicContact CB-CZ 3.68Å; L406-F408 HydrophobicContact CD1-CE2 4.29Å; L406-F408 HydrophobicContact CD1-CZ 4.01Å; L406-F408 HydrophobicContact CG-CZ 4.39Å; F408-I410 HydrophobicContact CB-CG1 4.36Å; F408-V445 HydrophobicContact CB-CG1 4.38Å; F408-V445 HydrophobicContact CD1-CG1 4Å; F408-Q448 HydrophobicContact CD1-CB 3.89Å; F408-Q448 HydrophobicContact CE1-CB 4Å |
| 409 | H | 89.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.3 | 169.3 | -176.1 | -72.7 | 0 | 0 | 0 | 109 | V445 K446 G447 | H409-V445 CarbonylContact O-C 3.59Å; H409-V445 WeakPolarHBondContact O-CA 3.31Å; H409-K446 PolarHBondContact O-N 3.35Å; H409-G447 PolarHBondContact N-O 3.47Å |
| 410 | I | 89.5 | Confident | 74.2 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.2 | -176.6 | -57.3 | 177.1 | 0 | 0 | 0 | 108.2 | L334 L340 F373 L375 W390 R395 L397 F408 Y443 | L334-I410 HydrophobicContact CD1-CG2 4.2Å; L340-I410 HydrophobicContact CD2-CD1 3.75Å; F373-I410 HydrophobicContact CZ-CD1 4.36Å; L375-I410 HydrophobicContact CD2-CD1 4.4Å; W390-I410 HydrophobicContact CH2-CB 4.11Å; W390-I410 HydrophobicContact CH2-CD1 4.45Å; W390-I410 HydrophobicContact CZ3-CB 4.16Å; W390-I410 HydrophobicContact CZ3-CD1 3.89Å; W390-I410 HydrophobicContact CZ3-CG1 4.23Å; R395-I410 WeakPolarHBondContact CB-O 3.44Å; R395-I410 PolarHBondContact O-N 3.46Å; L397-I410 HydrophobicContact CB-CD1 3.99Å; L397-I410 HydrophobicContact CD2-CD1 4.04Å; F408-I410 HydrophobicContact CB-CG1 4.36Å; I410-Y443 HydrophobicContact CG2-CD1 4.11Å |
| 411 | A | 85.6 | Confident | 71.4 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y443 L444 K446 | A411-Y443 VanDerWaalsContact O-CA 3.29Å; A411-Y443 WeakPolarHBondContact O-CA 3.35Å; A411-L444 PolarHBondContact N-O 3.39Å; A411-L444 PolarHBondContact O-N 2.96Å; A411-K446 HydrophobicContact CB-CD 3.46Å; A411-K446 VanDerWaalsContact CB-CD 3.46Å; A411-K446 VanDerWaalsContact CB-CE 3.42Å; A411-K446 HydrophobicContact CB-CG 3.64Å |
| 412 | K | 83.6 | Confident | 68.7 | Low | 56 Ų | 56 | 66.6 Ų | 66.6 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.2 | 166.7 | -171 | 176.5 | -174.8 | 166.6 | 0 | 108.5 | D335 P441 Y443 | D335-K412 IonicContact OD2-NZ 2.76Å; D335-K412 PolarHBondContact OD2-NZ 3.4Å; K412-P441 HydrophobicContact CD-CB 4.31Å; K412-P441 HydrophobicContact CD-CG 4.5Å; K412-P441 HydrophobicContact CG-CB 3.85Å; K412-Y443 HydrophobicContact CB-CD1 4.02Å; K412-Y443 HydrophobicContact CB-CE1 3.81Å; K412-Y443 HydrophobicContact CD-CE1 4.38Å; K412-Y443 HydrophobicContact CG-CE1 4.17Å; K412-Y443 HydrophobicContact CG-CE2 4.38Å |
| 413 | E | 75.9 | Confident | 66.3 | Low | 84 Ų | 84 | 73 Ų | 73 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.3 | 166.2 | -77.5 | -166.8 | 159.6 | 0 | 0 | 109.8 | L415 P441 L442 L444 | E413-L415 PolarHBondContact O-N 2.95Å; E413-P441 WeakPolarHBondContact O-CB 3.43Å; E413-L442 PolarHBondContact N-O 3.3Å; E413-L444 HydrophobicContact CG-CD2 3.64Å; E413-L444 HydrophobicContact CG-CG 4.13Å; E413-L444 WeakPolarHBondContact OE1-CD2 3.43Å; E413-L444 VanDerWaalsContact OE2-CD2 3.26Å; E413-L444 WeakPolarHBondContact OE2-CD2 3.49Å |
| 414 | D | 64.7 | Low | 63.8 | Low | 99 Ų | 99 | 75.7 Ų | 75.7 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | trans | -80.4 | 105.8 | 169.4 | -63.4 | -39.4 | 0 | 0 | 0 | 108 | E416 I417 | D414-E416 PolarHBondContact O-N 3.43Å; D414-I417 PolarHBondContact O-N 2.86Å | ||
| 415 | L | 53 | Low | 61.2 | Low | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -10.1 | -177.5 | -101.7 | 134.6 | 0 | 0 | 0 | 114.3 | E413 I417 C418 F419 R439 L442 | E413-L415 PolarHBondContact O-N 2.95Å; L415-I417 PolarHBondContact O-N 3.39Å; L415-C418 PolarHBondContact O-N 3.48Å; L415-F419 WeakPolarHBondContact O-CD2 3.37Å; L415-R439 HydrophobicContact CD1-CB 4.01Å; L415-L442 HydrophobicContact CD1-CD1 4.17Å; L415-L442 HydrophobicContact CD1-CG 4.44Å |
| 416 | E | 49.3 | Very low | 58.4 | Low | 166 Ų | 166 | 89.7 Ų | 89.7 | 78% | 0.776 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61 | -28 | 175 | -70.9 | -171.7 | 163.7 | 0 | 0 | 112.7 | D414 | D414-E416 PolarHBondContact O-N 3.43Å |
| 417 | I | 45 | Very low | 55.4 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 55% | 0.549 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -83.1 | -27.2 | -177.1 | -56.8 | 175.7 | 0 | 0 | 0 | 112.2 | D414 L415 F419 Q420 Q421 | D414-I417 PolarHBondContact O-N 2.86Å; L415-I417 PolarHBondContact O-N 3.39Å; I417-F419 VanDerWaalsContact C-N 3.3Å; I417-F419 PolarHBondContact O-N 3.08Å; I417-Q420 PolarHBondContact O-N 3.47Å; I417-Q421 PolarHBondContact O-N 3.42Å |
| 418 | C | 38.5 | Very low | 52.5 | Low | 67 Ų | 67 | 107.7 Ų | 107.7 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 177.2 | -95.7 | 0 | 0 | 0 | 0 | 112.8 | L415 Q422 | L415-C418 PolarHBondContact O-N 3.48Å; C418-Q422 PolarHBondContact O-N 3.13Å |
| 419 | F | 38.3 | Very low | 49.9 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.6 | -26.3 | 177.3 | -75.5 | -75.7 | 0 | 0 | 0 | 113.2 | L415 I417 N423 | L415-F419 WeakPolarHBondContact O-CD2 3.37Å; I417-F419 VanDerWaalsContact C-N 3.3Å; I417-F419 PolarHBondContact O-N 3.08Å; F419-N423 WeakPolarHBondContact O-CB 3.36Å; F419-N423 PolarHBondContact O-N 3.27Å; F419-N423 VanDerWaalsContact O-N 3.12Å; F419-N423 PolarHBondContact O-ND2 2.84Å |
| 420 | Q | 36.4 | Very low | 46.9 | Very low | 145 Ų | 145 | 115.4 Ų | 115.4 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.6 | -34.4 | 175.8 | -70.5 | -170.9 | -2.8 | 0 | 0 | 112.4 | I417 | I417-Q420 PolarHBondContact O-N 3.47Å |
| 421 | Q | 34.6 | Very low | 44.1 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.2 | -30.9 | 174.5 | -76.9 | -174.3 | -7.4 | 0 | 0 | 112.8 | I417 | I417-Q421 PolarHBondContact O-N 3.42Å |
| 422 | Q | 33.3 | Very low | 41.3 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.9 | -32.5 | 175.7 | -75.7 | -175.1 | -13.1 | 0 | 0 | 113.2 | C418 Q424 H425 | C418-Q422 PolarHBondContact O-N 3.13Å; Q422-Q424 VanDerWaalsContact C-N 3.27Å; Q422-Q424 PolarHBondContact O-N 3.18Å; Q422-H425 PolarHBondContact O-N 2.81Å |
| 423 | N | 34.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -6.3 | -179.4 | -78.6 | -18.1 | 0 | 0 | 0 | 115 | F419 H425 | F419-N423 WeakPolarHBondContact O-CB 3.36Å; F419-N423 PolarHBondContact O-N 3.27Å; F419-N423 VanDerWaalsContact O-N 3.12Å; F419-N423 PolarHBondContact O-ND2 2.84Å; N423-H425 VanDerWaalsContact C-N 3.31Å |
| 424 | Q | 34.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -7.6 | 168.6 | -71.5 | -169.6 | -3 | 0 | 0 | 113.4 | Q422 | Q422-Q424 VanDerWaalsContact C-N 3.27Å; Q422-Q424 PolarHBondContact O-N 3.18Å |
| 425 | H | 34.5 | Very low | 34.5 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -131.9 | 77 | 178.5 | -74.8 | -68 | 0 | 0 | 0 | 110.8 | Q422 N423 | Q422-H425 PolarHBondContact O-N 2.81Å; N423-H425 VanDerWaalsContact C-N 3.31Å |
| 426 | Q | 32.3 | Very low | 33.3 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | 169.6 | 101.5 | 136.6 | -93.1 | 161 | 15.7 | 0 | 0 | 111.2 | Q428 | Q426-Q428 PolarHBondContact O-N 2.93Š| ||
| 427 | E | 27.7 | Very low | 32.3 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 102 | 150 | -66.8 | 177.8 | 154.2 | 0 | 0 | 108.1 | ||||
| 428 | Q | 30.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -176.6 | 141.8 | 142.5 | -102.9 | 168.7 | 26.9 | 0 | 0 | 112 | Q426 | Q426-Q428 PolarHBondContact O-N 2.93Š| ||
| 429 | P | 34.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -109.7 | 109.5 | -164.4 | 34.5 | -19.1 | 0 | 0 | 0 | 112 | ||||
| 430 | S | 26.9 | Very low | 33.1 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -172.3 | 98.2 | 154.4 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 431 | N | 31.1 | Very low | 34.1 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 146 | 112.8 | 144.7 | -76.8 | -23 | 0 | 0 | 0 | 107.9 | S433 | N431-S433 PolarHBondContact O-N 3.48Š| ||
| 432 | L | 26.9 | Very low | 35.9 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 95% | 0.953 | 74% | 0.736 | S | S | * | * | trans | -58.9 | 85 | 170.2 | -79 | 86.7 | 0 | 0 | 0 | 109 | T434 | L432-T434 PolarHBondContact O-N 2.8Š| ||
| 433 | S | 28.3 | Very low | 38.2 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -72 | 106.7 | 155.8 | 57.5 | 0 | 0 | 0 | 0 | 106 | N431 | N431-S433 PolarHBondContact O-N 3.48Š| ||
| 434 | T | 26.4 | Very low | 40.5 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -40.7 | 126.5 | 163.1 | 13.3 | 0 | 0 | 0 | 0 | 108.6 | L432 C436 | L432-T434 PolarHBondContact O-N 2.8Å; T434-C436 PolarHBondContact O-N 2.78Å | ||
| 435 | P | 27.7 | Very low | 42.9 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | trans | -56.8 | 113.3 | 179.3 | 21.9 | -30.6 | 0 | 0 | 0 | 107.1 | R437 | P435-R437 PolarHBondContact O-N 2.75Š| ||
| 436 | C | 27.5 | Very low | 45.2 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -53.2 | 110.7 | 174.9 | -67 | 0 | 0 | 0 | 0 | 106.6 | T434 G438 | T434-C436 PolarHBondContact O-N 2.78Å; C436-G438 PolarHBondContact O-N 3.27Å | ||
| 437 | R | 28.8 | Very low | 47.5 | Very low | 229 Ų | 229 | 114.5 Ų | 114.5 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | trans | -43.6 | 127.3 | 171.7 | -83 | -177.8 | 171 | -171.2 | -3 | 107.8 | P435 R439 | P435-R437 PolarHBondContact O-N 2.75Å; R437-R439 PolarHBondContact O-N 2.86Å | ||
| 438 | G | 36.3 | Very low | 50.2 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | trans | -38.3 | 123.2 | -166 | 0 | 0 | 0 | 0 | 0 | 113.3 | C436 | C436-G438 PolarHBondContact O-N 3.27Š| ||
| 439 | R | 47.2 | Very low | 52.8 | Low | 199 Ų | 199 | 103.8 Ų | 103.8 | 75% | 0.751 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 133.2 | 162.8 | -76.6 | -176.9 | 177.4 | -179.6 | -0.1 | 107.4 | L415 R437 | L415-R439 HydrophobicContact CD1-CB 4.01Å; R437-R439 PolarHBondContact O-N 2.86Å |
| 440 | D | 54.4 | Low | 55.2 | Low | 115 Ų | 115 | 101.1 Ų | 101.1 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 147 | 171.8 | -68.1 | -51.5 | 0 | 0 | 0 | 110.3 | L442 | D440-L442 PolarHBondContact O-N 3.24Š|
| 441 | P | 58 | Low | 58.1 | Low | 44 Ų | 44 | 96.5 Ų | 96.5 | 29% | 0.286 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 127.7 | -178.4 | 22.3 | -32.9 | 0 | 0 | 0 | 110.8 | K412 E413 | K412-P441 HydrophobicContact CD-CB 4.31Å; K412-P441 HydrophobicContact CD-CG 4.5Å; K412-P441 HydrophobicContact CG-CB 3.85Å; E413-P441 WeakPolarHBondContact O-CB 3.43Å |
| 442 | L | 71 | Confident | 60.7 | Low | 81 Ų | 81 | 94.8 Ų | 94.8 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 135.6 | 177.7 | -74.8 | 158.4 | 0 | 0 | 0 | 108.8 | E413 L415 D440 | E413-L442 PolarHBondContact N-O 3.3Å; L415-L442 HydrophobicContact CD1-CD1 4.17Å; L415-L442 HydrophobicContact CD1-CG 4.44Å; D440-L442 PolarHBondContact O-N 3.24Å |
| 443 | Y | 82.5 | Confident | 63.4 | Low | 16 Ų | 16 | 86.1 Ų | 86.1 | 6% | 0.063 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.1 | 168.2 | -62.5 | -113.2 | 0 | 0 | 0 | 109.9 | L334 D335 N338 Y371 I410 A411 K412 | L334-Y443 HydrophobicContact CD1-CD1 4.37Å; L334-Y443 HydrophobicContact CD1-CE1 4.22Å; L334-Y443 HydrophobicContact CD2-CD1 3.61Å; L334-Y443 HydrophobicContact CD2-CD2 4.22Å; L334-Y443 HydrophobicContact CD2-CE1 3.34Å; L334-Y443 HydrophobicContact CD2-CE2 3.93Å; L334-Y443 HydrophobicContact CD2-CG 4Å; L334-Y443 VanDerWaalsContact CD2-CZ 3.46Å; L334-Y443 HydrophobicContact CG-CD1 4.1Å; L334-Y443 HydrophobicContact CG-CE1 3.57Å; D335-Y443 WeakPolarHBondContact CB-OH 3.34Å; D335-Y443 PolarHBondContact OD1-OH 2.71Å; D335-Y443 PolarHBondContact OD2-OH 2.85Å; N338-Y443 PolarHBondContact ND2-OH 3.08Å; Y371-Y443 HydrophobicContact CE1-CD2 4.05Å; Y371-Y443 AromaticContact CZ-CD2 3.56Å; Y371-Y443 WeakPolarHBondContact OH-CB 3.39Å; Y371-Y443 WeakPolarHBondContact OH-CD2 3.28Å; I410-Y443 HydrophobicContact CG2-CD1 4.11Å; A411-Y443 VanDerWaalsContact O-CA 3.29Å; A411-Y443 WeakPolarHBondContact O-CA 3.35Å; K412-Y443 HydrophobicContact CB-CD1 4.02Å; K412-Y443 HydrophobicContact CB-CE1 3.81Å; K412-Y443 HydrophobicContact CD-CE1 4.38Å; K412-Y443 HydrophobicContact CG-CE1 4.17Å; K412-Y443 HydrophobicContact CG-CE2 4.38Å |
| 444 | L | 83.5 | Confident | 66 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 28% | 0.277 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.4 | 180 | 56.4 | 86.1 | 0 | 0 | 0 | 111.8 | A411 E413 K446 | A411-L444 PolarHBondContact N-O 3.39Å; A411-L444 PolarHBondContact O-N 2.96Å; E413-L444 HydrophobicContact CG-CD2 3.64Å; E413-L444 HydrophobicContact CG-CG 4.13Å; E413-L444 WeakPolarHBondContact OE1-CD2 3.43Å; E413-L444 VanDerWaalsContact OE2-CD2 3.26Å; E413-L444 WeakPolarHBondContact OE2-CD2 3.49Å; L444-K446 HydrophobicContact CD1-CB 4.49Å; L444-K446 HydrophobicContact CD1-CG 3.58Å; L444-K446 PolarHBondContact O-N 2.92Å |
| 445 | V | 84.4 | Confident | 68.7 | Low | 41 Ų | 41 | 83.8 Ų | 83.8 | 25% | 0.248 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 103.9 | 173 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | F373 L375 F408 H409 G447 Q448 | F373-V445 HydrophobicContact CD2-CG2 4.02Å; F373-V445 HydrophobicContact CE2-CG2 3.91Å; L375-V445 HydrophobicContact CD2-CG2 3.9Å; F408-V445 HydrophobicContact CB-CG1 4.38Å; F408-V445 HydrophobicContact CD1-CG1 4Å; H409-V445 CarbonylContact O-C 3.59Å; H409-V445 WeakPolarHBondContact O-CA 3.31Å; V445-G447 VanDerWaalsContact C-N 3.32Å; V445-G447 VanDerWaalsContact CG1-O 3.27Å; V445-G447 WeakPolarHBondContact CG1-O 3.29Å; V445-Q448 HydrophobicContact CG1-CB 4.23Å |
| 446 | K | 81.8 | Confident | 71.3 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -30 | 176 | -80.5 | -165.3 | 173.8 | -174 | 0 | 112.4 | H409 A411 L444 | H409-K446 PolarHBondContact O-N 3.35Å; A411-K446 HydrophobicContact CB-CD 3.46Å; A411-K446 VanDerWaalsContact CB-CD 3.46Å; A411-K446 VanDerWaalsContact CB-CE 3.42Å; A411-K446 HydrophobicContact CB-CG 3.64Å; L444-K446 HydrophobicContact CD1-CB 4.49Å; L444-K446 HydrophobicContact CD1-CG 3.58Å; L444-K446 PolarHBondContact O-N 2.92Å |
| 447 | G | 81.7 | Confident | 73.9 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 19% | 0.186 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 142.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H409 V445 | H409-G447 PolarHBondContact N-O 3.47Å; V445-G447 VanDerWaalsContact C-N 3.32Å; V445-G447 VanDerWaalsContact CG1-O 3.27Å; V445-G447 WeakPolarHBondContact CG1-O 3.29Å |
| 448 | Q | 83.9 | Confident | 76.5 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.4 | 172.6 | 63.8 | -178.8 | 1.5 | 0 | 0 | 108.7 | L407 F408 V445 | L407-Q448 CarbonylContact O-C 3.5Å; L407-Q448 WeakPolarHBondContact O-CA 3Å; F408-Q448 HydrophobicContact CD1-CB 3.89Å; F408-Q448 HydrophobicContact CE1-CB 4Å; V445-Q448 HydrophobicContact CG1-CB 4.23Å |
| 449 | F | 85.5 | Confident | 79 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139 | -179.2 | -51.1 | -75 | 0 | 0 | 0 | 109.3 | L407 V487 C490 | L407-F449 HydrophobicContact CB-CB 4.23Å; L407-F449 HydrophobicContact CB-CD2 4.36Å; L407-F449 HydrophobicContact CD1-CB 4.21Å; L407-F449 PolarHBondContact N-O 3.49Å; L407-F449 PolarHBondContact O-N 3.14Å; F449-V487 HydrophobicContact CD2-CG1 4.36Å; F449-V487 HydrophobicContact CE2-CG1 4.17Å; F449-C490 HydrophobicContact CD1-CB 4.37Å; F449-C490 WeakPolarHBondContact CD1-SG 3.32Å |
| 450 | V | 86 | Confident | 81.1 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.2 | 171.1 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | W376 H404 L405 L406 | W376-V450 HydrophobicContact CH2-CG2 3.26Å; W376-V450 HydrophobicContact CZ2-CG2 3.96Å; W376-V450 HydrophobicContact CZ3-CG2 3.84Å; H404-V450 HydrophobicContact CB-CG1 4.09Å; L405-V450 WeakPolarHBondContact O-CA 3.18Å; L406-V450 HydrophobicContact CD2-CB 4.44Å; L406-V450 HydrophobicContact CD2-CG1 4.19Å; L406-V450 HydrophobicContact CD2-CG2 3.73Å |
| 451 | S | 86.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.6 | 173.6 | 167.7 | 0 | 0 | 0 | 0 | 109.2 | L405 W494 | L405-S451 PolarHBondContact N-O 3.26Å; L405-S451 PolarHBondContact O-N 3.29Å; S451-W494 PolarHBondContact OG-NE1 3.39Å |
| 452 | Q | 85.2 | Confident | 84.4 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | trans | -109.1 | 107.4 | 168.4 | -174.8 | 177.6 | -5.1 | 0 | 0 | 108.7 | N454 | Q452-N454 PolarHBondContact O-N 2.95Š| ||
| 453 | P | 85.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -65.3 | 126.4 | 175.7 | -14.2 | 27.6 | 0 | 0 | 0 | 110.8 | I456 L472 M480 W494 | P453-I456 HydrophobicContact CB-CB 4.46Å; P453-I456 HydrophobicContact CB-CD1 3.78Å; P453-I456 HydrophobicContact CB-CG1 4.12Å; P453-I456 HydrophobicContact CG-CD1 4.14Å; P453-I456 WeakPolarHBondContact O-CB 3.46Å; P453-I456 PolarHBondContact O-N 2.93Å; P453-L472 HydrophobicContact CG-CD2 3.8Å; P453-M480 HydrophobicContact CB-CE 4.31Å; P453-M480 HydrophobicContact CB-SD 3.67Å; P453-W494 HydrophobicContact CB-CD2 3.68Å; P453-W494 HydrophobicContact CB-CE3 4.24Å; P453-W494 HydrophobicContact CB-CG 3.82Å; P453-W494 HydrophobicContact CB-CZ2 4.36Å; P453-W494 HydrophobicContact CG-CD2 4.07Å; P453-W494 HydrophobicContact CG-CH2 4.32Å; P453-W494 HydrophobicContact CG-CZ2 3.8Å | ||
| 454 | N | 82.7 | Confident | 86 | Confident | 130 Ų | 130 | 52.3 Ų | 52.3 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 126.4 | 174.4 | -176.6 | 4.3 | 0 | 0 | 0 | 108.3 | Q452 M480 | Q452-N454 PolarHBondContact O-N 2.95Å; N454-M480 WeakPolarHBondContact O-CE 3.49Å |
| 455 | P | 81.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -105.7 | 32.7 | 18.9 | 41.2 | -36.1 | 0 | 0 | 0 | 116.3 | L457 Y478 | P455-L457 PolarHBondContact O-N 3.31Å; P455-Y478 HydrophobicContact CG-CE1 3.92Å; P455-Y478 HydrophobicContact CG-CE2 4.25Å |
| 456 | I | 83.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -64.1 | 124.4 | -177.4 | -62.4 | -174.5 | 0 | 0 | 0 | 111.4 | P453 G458 L472 D476 Y478 M480 | P453-I456 HydrophobicContact CB-CB 4.46Å; P453-I456 HydrophobicContact CB-CD1 3.78Å; P453-I456 HydrophobicContact CB-CG1 4.12Å; P453-I456 HydrophobicContact CG-CD1 4.14Å; P453-I456 WeakPolarHBondContact O-CB 3.46Å; P453-I456 PolarHBondContact O-N 2.93Å; I456-G458 WeakPolarHBondContact CG2-O 3.31Å; I456-L472 HydrophobicContact CD1-CD1 3.32Å; I456-D476 WeakPolarHBondContact CA-OD2 3.41Å; I456-Y478 HydrophobicContact CG1-CD2 4.35Å; I456-M480 HydrophobicContact CD1-CG 4.19Å; I456-M480 HydrophobicContact CD1-SD 3.37Å; I456-M480 WeakPolarHBondContact CD1-SD 3.49Å; I456-M480 HydrophobicContact CG1-SD 3.43Å; I456-M480 WeakPolarHBondContact CG1-SD 3.34Å | ||
| 457 | L | 81.6 | Confident | 86.5 | Confident | 123 Ų | 123 | 48.4 Ų | 48.4 | 64% | 0.644 | 25% | 0.254 | S | S | * | . | trans | -110.5 | -17.1 | 168.9 | -59.4 | 177.3 | 0 | 0 | 0 | 111.8 | R403 P455 D476 | R403-L457 WeakPolarHBondContact CD-O 3.47Å; R403-L457 VanDerWaalsContact CZ-O 3.23Å; R403-L457 PolarHBondContact NE-O 3.09Å; P455-L457 PolarHBondContact O-N 3.31Å; L457-D476 PolarHBondContact N-OD2 3.07Å | ||
| 458 | G | 84 | Confident | 86.7 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90.7 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R403 I456 D476 | R403-G458 WeakPolarHBondContact CG-O 3.24Å; I456-G458 WeakPolarHBondContact CG2-O 3.31Å; G458-D476 VanDerWaalsContact N-CG 3.26Å; G458-D476 PolarHBondContact N-OD2 3.44Å |
| 459 | Y | 87.6 | Confident | 86.9 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -76 | 148.2 | 174.7 | -51.1 | -61.4 | 0 | 0 | 0 | 111.3 | G402 R403 S474 V475 | G402-Y459 VanDerWaalsContact CA-CD1 3.5Å; G402-Y459 CarbonylContact O-C 3.59Å; G402-Y459 VanDerWaalsContact O-CA 3.27Å; G402-Y459 WeakPolarHBondContact O-CA 3.42Å; R403-Y459 HydrophobicContact CG-CD1 4.3Å; Y459-S474 CarbonylContact O-C 3.51Å; Y459-S474 VanDerWaalsContact O-CA 3.3Å; Y459-S474 WeakPolarHBondContact O-CA 3.42Å; Y459-V475 WeakPolarHBondContact O-CG2 3.34Å; Y459-V475 PolarHBondContact O-N 3.15Å |
| 460 | V | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.1 | 172.1 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | G402 I463 L472 T473 | G402-V460 PolarHBondContact O-N 3.17Å; V460-I463 HydrophobicContact CG1-CD1 3.93Å; V460-I463 HydrophobicContact CG1-CG1 3.62Å; V460-L472 HydrophobicContact CG1-CB 4.2Å; V460-T473 CarbonylContact C-O 3.52Å; V460-T473 WeakPolarHBondContact CA-O 3.3Å |
| 461 | T | 90.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -18.6 | -176 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | L386 T473 V475 F513 | L386-T461 HydrophobicContact CD1-CG2 4.32Å; T461-T473 PolarHBondContact N-O 3.19Å; T461-T473 PolarHBondContact OG1-O 2.85Å; T461-T473 PolarHBondContact OG1-OG1 2.93Å; T461-V475 HydrophobicContact CG2-CB 4.3Å; T461-V475 HydrophobicContact CG2-CG2 3.23Å; T461-F513 WeakPolarHBondContact CB-O 3.27Å; T461-F513 VanDerWaalsContact CG2-O 3.28Å; T461-F513 WeakPolarHBondContact CG2-O 3.24Å; T461-F513 PolarHBondContact OG1-O 3.38Å |
| 462 | G | 92.2 | Very high | 88 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 142.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L472 T473 | G462-L472 WeakPolarHBondContact O-CA 3.26Å; G462-L472 WeakPolarHBondContact O-CB 3.47Å; G462-T473 WeakPolarHBondContact CA-OG1 3.24Å; G462-T473 PolarHBondContact N-OG1 3.09Å; G462-T473 VanDerWaalsContact N-OG1 3.13Å; G462-T473 PolarHBondContact O-N 2.73Å |
| 463 | I | 94.2 | Very high | 88.3 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 133.2 | 178.2 | -63.9 | 179.4 | 0 | 0 | 0 | 107.6 | A387 A389 C398 L405 V460 L470 L471 L472 | A387-I463 HydrophobicContact CB-CB 4.17Å; A387-I463 HydrophobicContact CB-CD1 4.29Å; A387-I463 HydrophobicContact CB-CG1 3.93Å; A389-I463 HydrophobicContact CB-CB 4.47Å; A389-I463 HydrophobicContact CB-CG2 3.73Å; C398-I463 HydrophobicContact CB-CG2 4.31Å; L405-I463 HydrophobicContact CD1-CD1 3.64Å; V460-I463 HydrophobicContact CG1-CD1 3.93Å; V460-I463 HydrophobicContact CG1-CG1 3.62Å; I463-L470 HydrophobicContact CG2-CD1 3.55Å; I463-L471 WeakPolarHBondContact CA-O 3.25Å; I463-L472 HydrophobicContact CG1-CB 4.37Å |
| 464 | H | 93.6 | Very high | 88.6 | Confident | 53 Ų | 53 | 40.6 Ų | 40.6 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.1 | 168.4 | -179.8 | 82.5 | 0 | 0 | 0 | 108.9 | L470 L471 L516 V518 | H464-L470 VanDerWaalsContact O-CD1 3.24Å; H464-L470 WeakPolarHBondContact O-CD1 3.21Å; H464-L471 HydrophobicContact CB-CB 4.28Å; H464-L471 PolarHBondContact N-O 3.47Å; H464-L471 PolarHBondContact O-N 3.49Å; H464-L516 HydrophobicContact CB-CD2 3.83Å; H464-L516 HydrophobicContact CB-CG 4.16Å; H464-V518 HydrophobicContact CB-CG2 3.93Å; H464-V518 VanDerWaalsContact CD2-CG2 3.47Å; H464-V518 WeakPolarHBondContact CD2-CG2 3.43Å; H464-V518 VanDerWaalsContact CG-CG2 3.46Å |
| 465 | L | 92.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.1 | -176.8 | 179.8 | 68.6 | 0 | 0 | 0 | 108.3 | A389 L396 C398 L470 L484 | A389-L465 HydrophobicContact CB-CB 3.6Å; L396-L465 HydrophobicContact CB-CD2 4.47Å; L396-L465 HydrophobicContact CD2-CD1 4.33Å; L396-L465 HydrophobicContact CD2-CD2 4.47Å; L396-L465 WeakPolarHBondContact O-CD2 3.38Å; C398-L465 HydrophobicContact CB-CD2 4.45Å; L465-L470 HydrophobicContact CB-CD1 4.03Å; L465-L470 HydrophobicContact CD1-CB 4.17Å; L465-L470 HydrophobicContact CD1-CD1 3.83Å; L465-L470 HydrophobicContact CD1-CG 4.5Å; L465-L484 HydrophobicContact CD1-CD1 3.48Å; L465-L484 VanDerWaalsContact CD1-CD1 3.48Å; L465-L484 HydrophobicContact CD1-CD2 4.31Å; L465-L484 HydrophobicContact CD1-CG 4.47Å |
| 466 | D | 85.3 | Confident | 89 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | trans | -112.7 | -165.3 | 170.2 | 65.8 | 38 | 0 | 0 | 0 | 110.1 | E468 Q469 | D466-E468 VanDerWaalsContact C-N 3.34Å; D466-E468 PolarHBondContact OD1-N 3.26Å; D466-Q469 VanDerWaalsContact CG-CG 3.47Å; D466-Q469 PolarHBondContact N-O 2.92Å; D466-Q469 VanDerWaalsContact OD1-CG 3.24Å; D466-Q469 WeakPolarHBondContact OD1-CG 3.48Å; D466-Q469 PolarHBondContact OD1-N 2.8Å; D466-Q469 VanDerWaalsContact OD1-O 3.05Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.2Å; D466-Q469 PolarHBondContact OD2-NE2 2.82Å | ||
| 467 | N | 82.6 | Confident | 89.2 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 49% | 0.487 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -80.5 | -9.9 | -178.5 | -73.5 | -14.6 | 0 | 0 | 0 | 114.1 | S393 R394 | S393-N467 PolarHBondContact OG-OD1 2.88Å; R394-N467 PolarHBondContact NE-O 3.32Å; R394-N467 PolarHBondContact NH2-O 3.39Å |
| 468 | E | 85 | Confident | 89.7 | Confident | 142 Ų | 142 | 31.4 Ų | 31.4 | 66% | 0.664 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -124.9 | -35.6 | -171.4 | -63.8 | -173.6 | 168.5 | 0 | 0 | 111.7 | D466 L484 | D466-E468 VanDerWaalsContact C-N 3.34Å; D466-E468 PolarHBondContact OD1-N 3.26Å; E468-L484 PolarHBondContact O-N 3.4Å |
| 469 | Q | 88.9 | Confident | 90.1 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 28% | 0.28 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160 | -171.9 | 59 | 178 | -2 | 0 | 0 | 112.1 | D466 T482 | D466-Q469 VanDerWaalsContact CG-CG 3.47Å; D466-Q469 PolarHBondContact N-O 2.92Å; D466-Q469 VanDerWaalsContact OD1-CG 3.24Å; D466-Q469 WeakPolarHBondContact OD1-CG 3.48Å; D466-Q469 PolarHBondContact OD1-N 2.8Å; D466-Q469 VanDerWaalsContact OD1-O 3.05Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.2Å; D466-Q469 PolarHBondContact OD2-NE2 2.82Å; Q469-T482 CarbonylContact C-O 3.52Å; Q469-T482 VanDerWaalsContact CA-O 3.24Å; Q469-T482 WeakPolarHBondContact CA-O 3.49Å; Q469-T482 WeakPolarHBondContact CB-O 3.29Å |
| 470 | L | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.9 | 170.9 | 175.2 | 63.5 | 0 | 0 | 0 | 109 | C398 L405 I463 H464 L465 R481 T482 L484 W494 | C398-L470 HydrophobicContact CB-CD1 4.45Å; L405-L470 HydrophobicContact CD1-CD2 4.35Å; L405-L470 HydrophobicContact CD2-CD2 3.24Å; L405-L470 HydrophobicContact CG-CD2 4.38Å; I463-L470 HydrophobicContact CG2-CD1 3.55Å; H464-L470 VanDerWaalsContact O-CD1 3.24Å; H464-L470 WeakPolarHBondContact O-CD1 3.21Å; L465-L470 HydrophobicContact CB-CD1 4.03Å; L465-L470 HydrophobicContact CD1-CB 4.17Å; L465-L470 HydrophobicContact CD1-CD1 3.83Å; L465-L470 HydrophobicContact CD1-CG 4.5Å; L470-R481 CarbonylContact O-C 3.55Å; L470-R481 VanDerWaalsContact O-CA 3.27Å; L470-R481 WeakPolarHBondContact O-CA 3.42Å; L470-T482 HydrophobicContact CB-CG2 3.85Å; L470-T482 HydrophobicContact CD2-CG2 4.41Å; L470-T482 HydrophobicContact CG-CG2 4.49Å; L470-T482 PolarHBondContact N-O 2.99Å; L470-T482 PolarHBondContact O-N 3.45Å; L470-L484 HydrophobicContact CB-CD2 4.04Å; L470-L484 HydrophobicContact CB-CG 4.44Å; L470-W494 HydrophobicContact CD2-CH2 3.91Å; L470-W494 HydrophobicContact CG-CH2 4.3Å |
| 471 | L | 93.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.8 | 176.7 | -66.3 | 165.3 | 0 | 0 | 0 | 109.9 | I463 H464 M480 R481 L516 V518 I525 | I463-L471 WeakPolarHBondContact CA-O 3.25Å; H464-L471 HydrophobicContact CB-CB 4.28Å; H464-L471 PolarHBondContact N-O 3.47Å; H464-L471 PolarHBondContact O-N 3.49Å; L471-M480 WeakPolarHBondContact CA-O 2.97Å; L471-R481 HydrophobicContact CD2-CB 3.44Å; L471-R481 VanDerWaalsContact CD2-CB 3.44Å; L471-L516 HydrophobicContact CB-CD2 3.73Å; L471-L516 WeakPolarHBondContact O-CD2 3.43Å; L471-V518 HydrophobicContact CD1-CG2 3.93Å; L471-I525 HydrophobicContact CD1-CD1 3.65Å; L471-I525 HydrophobicContact CD1-CG1 4.15Å; L471-I525 HydrophobicContact CD2-CD1 4.14Å |
| 472 | L | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.3 | 172.3 | 62.2 | 78.5 | 0 | 0 | 0 | 112.8 | P453 I456 V460 G462 I463 L479 M480 W494 | P453-L472 HydrophobicContact CG-CD2 3.8Å; I456-L472 HydrophobicContact CD1-CD1 3.32Å; V460-L472 HydrophobicContact CG1-CB 4.2Å; G462-L472 WeakPolarHBondContact O-CA 3.26Å; G462-L472 WeakPolarHBondContact O-CB 3.47Å; I463-L472 HydrophobicContact CG1-CB 4.37Å; L472-L479 WeakPolarHBondContact O-CA 3.29Å; L472-M480 HydrophobicContact CD1-CB 3.84Å; L472-M480 HydrophobicContact CD1-CG 4.12Å; L472-M480 HydrophobicContact CD1-SD 4.36Å; L472-M480 HydrophobicContact CG-CB 4.27Å; L472-M480 PolarHBondContact N-O 2.83Å; L472-M480 PolarHBondContact O-N 3.35Å; L472-W494 HydrophobicContact CD2-CE3 4.32Å; L472-W494 HydrophobicContact CD2-CH2 3.26Å; L472-W494 HydrophobicContact CD2-CZ2 4.04Å; L472-W494 HydrophobicContact CD2-CZ3 3.43Å; L472-W494 VanDerWaalsContact CD2-CZ3 3.43Å; L472-W494 HydrophobicContact CG-CH2 4.07Å; L472-W494 HydrophobicContact CG-CZ3 3.73Å |
| 473 | T | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.3 | 171.4 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | V460 T461 G462 Y478 L479 G515 L516 F527 | V460-T473 CarbonylContact C-O 3.52Å; V460-T473 WeakPolarHBondContact CA-O 3.3Å; T461-T473 PolarHBondContact N-O 3.19Å; T461-T473 PolarHBondContact OG1-O 2.85Å; T461-T473 PolarHBondContact OG1-OG1 2.93Å; G462-T473 WeakPolarHBondContact CA-OG1 3.24Å; G462-T473 PolarHBondContact N-OG1 3.09Å; G462-T473 VanDerWaalsContact N-OG1 3.13Å; G462-T473 PolarHBondContact O-N 2.73Å; T473-Y478 CarbonylContact C-O 3.59Å; T473-Y478 VanDerWaalsContact CA-O 3.31Å; T473-Y478 WeakPolarHBondContact CA-O 3.33Å; T473-L479 HydrophobicContact CG2-CD1 3.69Å; T473-G515 PolarHBondContact OG1-O 2.63Å; T473-L516 HydrophobicContact CG2-CB 4Å; T473-L516 HydrophobicContact CG2-CD1 3.94Å; T473-L516 HydrophobicContact CG2-CD2 4.39Å; T473-L516 HydrophobicContact CG2-CG 4.33Å; T473-F527 HydrophobicContact CG2-CB 3.87Å; T473-F527 HydrophobicContact CG2-CG 4.28Å |
| 474 | S | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.2 | -178.8 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | Y459 D476 G477 Y478 F513 | Y459-S474 CarbonylContact O-C 3.51Å; Y459-S474 VanDerWaalsContact O-CA 3.3Å; Y459-S474 WeakPolarHBondContact O-CA 3.42Å; S474-D476 WeakPolarHBondContact CB-OD1 3.07Å; S474-D476 PolarHBondContact O-N 3.39Å; S474-D476 PolarHBondContact OG-OD1 2.74Å; S474-G477 PolarHBondContact O-N 3.48Å; S474-Y478 PolarHBondContact N-O 3.41Å; S474-Y478 WeakPolarHBondContact OG-CB 3.33Å; S474-Y478 PolarHBondContact OG-N 3.46Å; S474-Y478 PolarHBondContact OG-O 2.76Å; S474-F513 CarbonylContact C-O 3.56Å; S474-F513 WeakPolarHBondContact O-CB 3.41Å; S474-F513 PolarHBondContact O-N 3.09Å |
| 475 | V | 87.7 | Confident | 88.6 | Confident | 30 Ų | 30 | 33 Ų | 33 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.4 | -179.6 | 178 | 0 | 0 | 0 | 0 | 112.2 | Y459 T461 G477 E512 | Y459-V475 WeakPolarHBondContact O-CG2 3.34Å; Y459-V475 PolarHBondContact O-N 3.15Å; T461-V475 HydrophobicContact CG2-CB 4.3Å; T461-V475 HydrophobicContact CG2-CG2 3.23Å; V475-G477 PolarHBondContact O-N 3.35Å; V475-E512 HydrophobicContact CG1-CB 4.21Å; V475-E512 HydrophobicContact CG1-CG 3.92Å; V475-E512 WeakPolarHBondContact O-CA 3.24Å; V475-E512 WeakPolarHBondContact O-CB 3.44Å; V475-E512 VanDerWaalsContact O-CG 3.24Å; V475-E512 WeakPolarHBondContact O-CG 3.12Å |
| 476 | D | 85.5 | Confident | 87.1 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6.6 | 177.9 | 57.2 | -22.4 | 0 | 0 | 0 | 114.1 | I456 L457 G458 S474 Y478 | I456-D476 WeakPolarHBondContact CA-OD2 3.41Å; L457-D476 PolarHBondContact N-OD2 3.07Å; G458-D476 VanDerWaalsContact N-CG 3.26Å; G458-D476 PolarHBondContact N-OD2 3.44Å; S474-D476 WeakPolarHBondContact CB-OD1 3.07Å; S474-D476 PolarHBondContact O-N 3.39Å; S474-D476 PolarHBondContact OG-OD1 2.74Å; D476-Y478 HydrophobicContact CB-CD2 4.47Å; D476-Y478 HydrophobicContact CB-CE2 4.41Å; D476-Y478 WeakPolarHBondContact OD2-CE2 3.18Å |
| 477 | G | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 88.5 | 40.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S474 V475 S499 S500 F513 | S474-G477 PolarHBondContact O-N 3.48Å; V475-G477 PolarHBondContact O-N 3.35Å; G477-S499 WeakPolarHBondContact O-CA 3.43Å; G477-S500 PolarHBondContact O-N 2.95Å; G477-F513 WeakPolarHBondContact O-CE2 3.42Å; G477-F513 WeakPolarHBondContact O-CZ 3.37Å |
| 478 | Y | 90.6 | Very high | 84.9 | Confident | 60 Ų | 60 | 36.2 Ų | 36.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.2 | 171.2 | -61.6 | -78.5 | 0 | 0 | 0 | 111.7 | P455 I456 T473 S474 D476 V496 F513 | P455-Y478 HydrophobicContact CG-CE1 3.92Å; P455-Y478 HydrophobicContact CG-CE2 4.25Å; I456-Y478 HydrophobicContact CG1-CD2 4.35Å; T473-Y478 CarbonylContact C-O 3.59Å; T473-Y478 VanDerWaalsContact CA-O 3.31Å; T473-Y478 WeakPolarHBondContact CA-O 3.33Å; S474-Y478 PolarHBondContact N-O 3.41Å; S474-Y478 WeakPolarHBondContact OG-CB 3.33Å; S474-Y478 PolarHBondContact OG-N 3.46Å; S474-Y478 PolarHBondContact OG-O 2.76Å; D476-Y478 HydrophobicContact CB-CD2 4.47Å; D476-Y478 HydrophobicContact CB-CE2 4.41Å; D476-Y478 WeakPolarHBondContact OD2-CE2 3.18Å; Y478-V496 HydrophobicContact CD1-CG1 3.98Å; Y478-V496 HydrophobicContact CD1-CG2 4.33Å; Y478-F513 VanDerWaalsContact C-CD2 3.48Å |
| 479 | L | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.1 | 157.7 | 176.1 | 69.5 | 0 | 0 | 0 | 106.6 | L472 T473 V497 W498 L516 I525 F527 L553 | L472-L479 WeakPolarHBondContact O-CA 3.29Å; T473-L479 HydrophobicContact CG2-CD1 3.69Å; L479-V497 HydrophobicContact CD2-CB 4.04Å; L479-V497 HydrophobicContact CD2-CG1 3.82Å; L479-V497 HydrophobicContact CG-CB 4.06Å; L479-V497 HydrophobicContact CG-CG1 4.38Å; L479-V497 WeakPolarHBondContact O-CB 3.36Å; L479-V497 PolarHBondContact O-N 3.32Å; L479-W498 HydrophobicContact CB-CB 3.86Å; L479-W498 HydrophobicContact CD2-CB 4.12Å; L479-W498 PolarHBondContact N-O 3.09Å; L479-W498 PolarHBondContact O-N 3.49Å; L479-L516 HydrophobicContact CD1-CD1 3.92Å; L479-I525 HydrophobicContact CD1-CG2 4.2Å; L479-I525 HydrophobicContact CD2-CG2 4.05Å; L479-F527 HydrophobicContact CD2-CD1 4.25Å; L479-F527 HydrophobicContact CD2-CE1 3.93Å; L479-L553 HydrophobicContact CD2-CD1 3.83Å |
| 480 | M | 91.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.3 | -178.6 | -55.4 | -170.7 | 82.1 | 0 | 0 | 111.1 | P453 N454 I456 L471 L472 W494 Q495 V496 | P453-M480 HydrophobicContact CB-CE 4.31Å; P453-M480 HydrophobicContact CB-SD 3.67Å; N454-M480 WeakPolarHBondContact O-CE 3.49Å; I456-M480 HydrophobicContact CD1-CG 4.19Å; I456-M480 HydrophobicContact CD1-SD 3.37Å; I456-M480 WeakPolarHBondContact CD1-SD 3.49Å; I456-M480 HydrophobicContact CG1-SD 3.43Å; I456-M480 WeakPolarHBondContact CG1-SD 3.34Å; L471-M480 WeakPolarHBondContact CA-O 2.97Å; L472-M480 HydrophobicContact CD1-CB 3.84Å; L472-M480 HydrophobicContact CD1-CG 4.12Å; L472-M480 HydrophobicContact CD1-SD 4.36Å; L472-M480 HydrophobicContact CG-CB 4.27Å; L472-M480 PolarHBondContact N-O 2.83Å; L472-M480 PolarHBondContact O-N 3.35Å; M480-W494 HydrophobicContact CB-CE3 3.86Å; M480-W494 HydrophobicContact CB-CZ3 4.33Å; M480-W494 HydrophobicContact CE-CB 3.54Å; M480-W494 HydrophobicContact CE-CG 4.29Å; M480-Q495 CarbonylContact C-O 3.56Å; M480-Q495 VanDerWaalsContact CA-O 3.29Å; M480-Q495 WeakPolarHBondContact CA-O 3.29Å; M480-V496 HydrophobicContact CE-CG2 3.8Å |
| 481 | R | 91.1 | Very high | 80.7 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.6 | 172.8 | 75.7 | -178.2 | -175.4 | 163.5 | 19.1 | 111.2 | L470 L471 Q495 V497 | L470-R481 CarbonylContact O-C 3.55Å; L470-R481 VanDerWaalsContact O-CA 3.27Å; L470-R481 WeakPolarHBondContact O-CA 3.42Å; L471-R481 HydrophobicContact CD2-CB 3.44Å; L471-R481 VanDerWaalsContact CD2-CB 3.44Å; R481-Q495 HydrophobicContact CG-CB 4.01Å; R481-Q495 PolarHBondContact N-O 2.85Å; R481-Q495 PolarHBondContact O-N 3.44Å; R481-V497 HydrophobicContact CB-CG2 3.65Å; R481-V497 VanDerWaalsContact CD-CG2 3.46Å; R481-V497 HydrophobicContact CG-CG2 3.41Å; R481-V497 VanDerWaalsContact CG-CG2 3.41Å |
| 482 | T | 89.8 | Confident | 80 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 145.9 | 168.2 | -177.2 | 0 | 0 | 0 | 0 | 109 | Q469 L470 L492 N493 W494 | Q469-T482 CarbonylContact C-O 3.52Å; Q469-T482 VanDerWaalsContact CA-O 3.24Å; Q469-T482 WeakPolarHBondContact CA-O 3.49Å; Q469-T482 WeakPolarHBondContact CB-O 3.29Å; L470-T482 HydrophobicContact CB-CG2 3.85Å; L470-T482 HydrophobicContact CD2-CG2 4.41Å; L470-T482 HydrophobicContact CG-CG2 4.49Å; L470-T482 PolarHBondContact N-O 2.99Å; L470-T482 PolarHBondContact O-N 3.45Å; T482-L492 HydrophobicContact CG2-CB 4.11Å; T482-L492 HydrophobicContact CG2-CD1 4.15Å; T482-L492 HydrophobicContact CG2-CD2 4.13Å; T482-L492 HydrophobicContact CG2-CG 4.35Å; T482-N493 PolarHBondContact OG1-N 3.33Å; T482-N493 PolarHBondContact OG1-O 3.34Å; T482-W494 HydrophobicContact CG2-CD2 4.31Å; T482-W494 HydrophobicContact CG2-CE3 3.98Å; T482-W494 HydrophobicContact CG2-CH2 3.6Å; T482-W494 HydrophobicContact CG2-CZ2 3.96Å; T482-W494 HydrophobicContact CG2-CZ3 3.62Å |
| 483 | S | 87 | Confident | 79.6 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 148.7 | 166.2 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | D485 | S483-D485 PolarHBondContact OG-N 3.05Å; S483-D485 PolarHBondContact OG-OD2 3.13Å |
| 484 | L | 82.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -96.6 | 3.9 | 176.7 | -65.4 | 171.7 | 0 | 0 | 0 | 113.4 | R394 L396 L465 E468 L470 E486 V487 | R394-L484 PolarHBondContact NH1-O 3.09Å; L396-L484 HydrophobicContact CD2-CD2 4.17Å; L465-L484 HydrophobicContact CD1-CD1 3.48Å; L465-L484 VanDerWaalsContact CD1-CD1 3.48Å; L465-L484 HydrophobicContact CD1-CD2 4.31Å; L465-L484 HydrophobicContact CD1-CG 4.47Å; E468-L484 PolarHBondContact O-N 3.4Å; L470-L484 HydrophobicContact CB-CD2 4.04Å; L470-L484 HydrophobicContact CB-CG 4.44Å; L484-E486 PolarHBondContact O-N 3.01Å; L484-V487 HydrophobicContact CB-CG2 4.08Å; L484-V487 HydrophobicContact CD2-CG2 3.87Å; L484-V487 WeakPolarHBondContact O-CG2 3.48Å |
| 485 | D | 75.1 | Confident | 79.2 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 64% | 0.642 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.6 | 178.3 | -59.7 | -33.4 | 0 | 0 | 0 | 111.8 | R394 S483 | R394-D485 IonicContact NH2-OD1 3.23Å; R394-D485 PolarHBondContact NH2-OD1 2.69Å; S483-D485 PolarHBondContact OG-N 3.05Å; S483-D485 PolarHBondContact OG-OD2 3.13Å |
| 486 | E | 62 | Low | 79.3 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 12 | -176.5 | -62.3 | 177.6 | 163.4 | 0 | 0 | 114.3 | L484 S488 E489 N493 | L484-E486 PolarHBondContact O-N 3.01Å; E486-S488 PolarHBondContact O-N 2.89Å; E486-E489 PolarHBondContact O-N 2.85Å; E486-N493 PolarHBondContact OE1-ND2 3.14Å; E486-N493 PolarHBondContact OE2-ND2 3.47Å |
| 487 | V | 59.8 | Low | 79.4 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -58.8 | -23 | -172 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | F449 L484 E489 L492 | F449-V487 HydrophobicContact CD2-CG1 4.36Å; F449-V487 HydrophobicContact CE2-CG1 4.17Å; L484-V487 HydrophobicContact CB-CG2 4.08Å; L484-V487 HydrophobicContact CD2-CG2 3.87Å; L484-V487 WeakPolarHBondContact O-CG2 3.48Å; V487-E489 PolarHBondContact O-N 3.32Å; V487-L492 HydrophobicContact CG2-CD2 4.15Å |
| 488 | S | 61.2 | Low | 79.4 | Confident | 102 Ų | 102 | 57 Ų | 57 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -59.7 | -25.3 | 178.7 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | E486 | E486-S488 PolarHBondContact O-N 2.89Š|
| 489 | E | 51.8 | Low | 79.1 | Confident | 147 Ų | 147 | 54.7 Ų | 54.7 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -103 | 12.3 | -170.9 | -66.3 | -164.4 | 169.9 | 0 | 0 | 115.5 | E486 V487 K491 | E486-E489 PolarHBondContact O-N 2.85Å; V487-E489 PolarHBondContact O-N 3.32Å; E489-K491 PolarHBondContact O-N 3.11Å |
| 490 | C | 57.7 | Low | 78.1 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 48% | 0.48 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 58.6 | -4.8 | -176.4 | -56.2 | 0 | 0 | 0 | 0 | 115.6 | F449 | F449-C490 HydrophobicContact CD1-CB 4.37Å; F449-C490 WeakPolarHBondContact CD1-SG 3.32Å |
| 491 | K | 68.1 | Low | 76.6 | Confident | 159 Ų | 159 | 59 Ų | 59 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | trans | -110.1 | 91.5 | -178.1 | -72.3 | -176.7 | -179.4 | 175.9 | 0 | 109 | E489 N493 | E489-K491 PolarHBondContact O-N 3.11Å; K491-N493 PolarHBondContact O-N 3Å | ||
| 492 | L | 80.3 | Confident | 75.3 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | trans | -70.9 | 121.8 | 168.4 | -67.9 | 173.5 | 0 | 0 | 0 | 108.8 | L405 L407 T482 V487 W494 | L405-L492 HydrophobicContact CD2-CD1 4.03Å; L407-L492 HydrophobicContact CD1-CD1 3.94Å; L407-L492 HydrophobicContact CD2-CD1 3.98Å; T482-L492 HydrophobicContact CG2-CB 4.11Å; T482-L492 HydrophobicContact CG2-CD1 4.15Å; T482-L492 HydrophobicContact CG2-CD2 4.13Å; T482-L492 HydrophobicContact CG2-CG 4.35Å; V487-L492 HydrophobicContact CG2-CD2 4.15Å; L492-W494 HydrophobicContact CB-CZ2 4.19Å; L492-W494 HydrophobicContact CD1-CZ2 3.78Å; L492-W494 PolarHBondContact O-N 2.91Å | ||
| 493 | N | 84.3 | Confident | 74.1 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | trans | -77.7 | 89.2 | 176.1 | -82.1 | -32.4 | 0 | 0 | 0 | 110.5 | T482 E486 K491 | T482-N493 PolarHBondContact OG1-N 3.33Å; T482-N493 PolarHBondContact OG1-O 3.34Å; E486-N493 PolarHBondContact OE1-ND2 3.14Å; E486-N493 PolarHBondContact OE2-ND2 3.47Å; K491-N493 PolarHBondContact O-N 3Å | ||
| 494 | W | 87.3 | Confident | 72.9 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | trans | -72.5 | 130.1 | -178.9 | -65.6 | 96 | 0 | 0 | 0 | 113 | L405 S451 P453 L470 L472 M480 T482 L492 | L405-W494 HydrophobicContact CD2-CH2 3.85Å; L405-W494 HydrophobicContact CD2-CZ2 3.69Å; S451-W494 PolarHBondContact OG-NE1 3.39Å; P453-W494 HydrophobicContact CB-CD2 3.68Å; P453-W494 HydrophobicContact CB-CE3 4.24Å; P453-W494 HydrophobicContact CB-CG 3.82Å; P453-W494 HydrophobicContact CB-CZ2 4.36Å; P453-W494 HydrophobicContact CG-CD2 4.07Å; P453-W494 HydrophobicContact CG-CH2 4.32Å; P453-W494 HydrophobicContact CG-CZ2 3.8Å; L470-W494 HydrophobicContact CD2-CH2 3.91Å; L470-W494 HydrophobicContact CG-CH2 4.3Å; L472-W494 HydrophobicContact CD2-CE3 4.32Å; L472-W494 HydrophobicContact CD2-CH2 3.26Å; L472-W494 HydrophobicContact CD2-CZ2 4.04Å; L472-W494 HydrophobicContact CD2-CZ3 3.43Å; L472-W494 VanDerWaalsContact CD2-CZ3 3.43Å; L472-W494 HydrophobicContact CG-CH2 4.07Å; L472-W494 HydrophobicContact CG-CZ3 3.73Å; M480-W494 HydrophobicContact CB-CE3 3.86Å; M480-W494 HydrophobicContact CB-CZ3 4.33Å; M480-W494 HydrophobicContact CE-CB 3.54Å; M480-W494 HydrophobicContact CE-CG 4.29Å; T482-W494 HydrophobicContact CG2-CD2 4.31Å; T482-W494 HydrophobicContact CG2-CE3 3.98Å; T482-W494 HydrophobicContact CG2-CH2 3.6Å; T482-W494 HydrophobicContact CG2-CZ2 3.96Å; T482-W494 HydrophobicContact CG2-CZ3 3.62Å; L492-W494 HydrophobicContact CB-CZ2 4.19Å; L492-W494 HydrophobicContact CD1-CZ2 3.78Å; L492-W494 PolarHBondContact O-N 2.91Å | ||
| 495 | Q | 88.9 | Confident | 71.9 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.1 | 172.2 | -62.4 | 176.8 | 1.2 | 0 | 0 | 109.1 | M480 R481 V497 | M480-Q495 CarbonylContact C-O 3.56Å; M480-Q495 VanDerWaalsContact CA-O 3.29Å; M480-Q495 WeakPolarHBondContact CA-O 3.29Å; R481-Q495 HydrophobicContact CG-CB 4.01Å; R481-Q495 PolarHBondContact N-O 2.85Å; R481-Q495 PolarHBondContact O-N 3.44Å; Q495-V497 PolarHBondContact O-N 3.37Å |
| 496 | V | 88.9 | Confident | 71.2 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116.3 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108 | Y478 M480 | Y478-V496 HydrophobicContact CD1-CG1 3.98Å; Y478-V496 HydrophobicContact CD1-CG2 4.33Å; M480-V496 HydrophobicContact CE-CG2 3.8Å |
| 497 | V | 87.9 | Confident | 71.3 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -43.4 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | L479 R481 Q495 F555 | L479-V497 HydrophobicContact CD2-CB 4.04Å; L479-V497 HydrophobicContact CD2-CG1 3.82Å; L479-V497 HydrophobicContact CG-CB 4.06Å; L479-V497 HydrophobicContact CG-CG1 4.38Å; L479-V497 WeakPolarHBondContact O-CB 3.36Å; L479-V497 PolarHBondContact O-N 3.32Å; R481-V497 HydrophobicContact CB-CG2 3.65Å; R481-V497 VanDerWaalsContact CD-CG2 3.46Å; R481-V497 HydrophobicContact CG-CG2 3.41Å; R481-V497 VanDerWaalsContact CG-CG2 3.41Å; Q495-V497 PolarHBondContact O-N 3.37Å; V497-F555 HydrophobicContact CG1-CE1 3.78Å; V497-F555 HydrophobicContact CG1-CE2 3.73Å; V497-F555 HydrophobicContact CG1-CZ 3.14Å |
| 498 | W | 88.3 | Confident | 71.6 | Confident | 36 Ų | 36 | 75 Ų | 75 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.7 | 180 | -168.4 | -86.6 | 0 | 0 | 0 | 110 | P8 L479 N502 F513 F527 H551 L553 | P8-W498 HydrophobicContact CG-CE3 4.08Å; P8-W498 HydrophobicContact CG-CZ3 3.65Å; L479-W498 HydrophobicContact CB-CB 3.86Å; L479-W498 HydrophobicContact CD2-CB 4.12Å; L479-W498 PolarHBondContact N-O 3.09Å; L479-W498 PolarHBondContact O-N 3.49Å; W498-N502 HydrophobicContact CZ2-CB 4.45Å; W498-F513 AromaticContact CD1-CE2 3.74Å; W498-F513 AromaticContact CD1-CZ 3.62Å; W498-F527 AromaticContact CD1-CZ 3.65Å; W498-F527 HydrophobicContact CG-CZ 4.06Å; W498-H551 AromaticContact CZ2-ND1 3.94Å; W498-L553 HydrophobicContact CB-CD1 4.04Å; W498-L553 HydrophobicContact CD2-CD1 3.97Å; W498-L553 HydrophobicContact CD2-CD2 4.45Å; W498-L553 HydrophobicContact CE3-CD1 3.76Å; W498-L553 HydrophobicContact CE3-CD2 4Å; W498-L553 HydrophobicContact CG-CD1 4.12Å; W498-L553 HydrophobicContact CH2-CD2 4.34Å; W498-L553 HydrophobicContact CZ3-CD2 3.95Å |
| 499 | S | 85.5 | Confident | 72 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 8% | 0.077 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.2 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | G477 S501 N502 | G477-S499 WeakPolarHBondContact O-CA 3.43Å; S499-S501 PolarHBondContact O-N 2.93Å; S499-S501 VanDerWaalsContact O-N 3.13Å; S499-S501 PolarHBondContact OG-OG 2.91Å; S499-N502 WeakPolarHBondContact O-CB 3.35Å; S499-N502 PolarHBondContact O-N 2.89Å |
| 500 | S | 72.4 | Confident | 73.1 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -56.2 | -25.7 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | G477 N502 Y503 S506 | G477-S500 PolarHBondContact O-N 2.95Å; S500-N502 PolarHBondContact O-N 3.34Å; S500-N502 VanDerWaalsContact O-N 3.09Å; S500-Y503 WeakPolarHBondContact O-CB 3.28Å; S500-Y503 PolarHBondContact O-N 3.23Å; S500-Y503 VanDerWaalsContact O-N 3.15Å; S500-S506 WeakPolarHBondContact O-CB 2.94Å |
| 501 | S | 59.4 | Low | 74.3 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -55.6 | -23.8 | 173.8 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | S499 Y503 S506 | S499-S501 PolarHBondContact O-N 2.93Å; S499-S501 VanDerWaalsContact O-N 3.13Å; S499-S501 PolarHBondContact OG-OG 2.91Å; S501-Y503 PolarHBondContact O-N 2.9Å; S501-S506 PolarHBondContact O-OG 2.87Å |
| 502 | N | 62.6 | Low | 75.2 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -73.5 | 0.5 | -179.9 | -63.7 | -11.1 | 0 | 0 | 0 | 113.6 | W498 S499 S500 | W498-N502 HydrophobicContact CZ2-CB 4.45Å; S499-N502 WeakPolarHBondContact O-CB 3.35Å; S499-N502 PolarHBondContact O-N 2.89Å; S500-N502 PolarHBondContact O-N 3.34Å; S500-N502 VanDerWaalsContact O-N 3.09Å |
| 503 | Y | 65.5 | Low | 75.7 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 21% | 0.208 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -96.9 | 140.7 | 179.4 | -176.7 | -115.8 | 0 | 0 | 0 | 112.6 | S500 S501 K505 S506 W511 R549 | S500-Y503 WeakPolarHBondContact O-CB 3.28Å; S500-Y503 PolarHBondContact O-N 3.23Å; S500-Y503 VanDerWaalsContact O-N 3.15Å; S501-Y503 PolarHBondContact O-N 2.9Å; Y503-K505 HydrophobicContact CD1-CB 4.12Å; Y503-K505 HydrophobicContact CE1-CB 3.81Å; Y503-K505 HydrophobicContact CE1-CG 4.36Å; Y503-K505 PolarHBondContact O-N 3.17Å; Y503-S506 WeakPolarHBondContact O-CB 3.1Å; Y503-S506 PolarHBondContact O-N 3.43Å; Y503-S506 PolarHBondContact O-OG 2.98Å; Y503-W511 HydrophobicContact CD1-CZ2 4.04Å; Y503-W511 AromaticContact CD1-NE1 3.82Å; Y503-W511 AromaticContact CE1-CZ2 3.71Å; Y503-W511 HydrophobicContact CE1-CZ2 3.71Å; Y503-R549 PolarHBondContact OH-NH1 2.95Å; Y503-R549 PolarHBondContact OH-NH2 3.24Å |
| 504 | D | 61.1 | Low | 75.9 | Confident | 160 Ų | 160 | 54.7 Ų | 54.7 | 86% | 0.856 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -3 | -177.2 | -70.4 | -22.2 | 0 | 0 | 0 | 115.9 | ||
| 505 | K | 62.9 | Low | 76 | Confident | 127 Ų | 127 | 53.6 Ų | 53.6 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | 25.7 | 176.3 | -57 | -175.6 | 179.8 | -179.6 | 0 | 113.3 | Y503 D507 V508 | Y503-K505 HydrophobicContact CD1-CB 4.12Å; Y503-K505 HydrophobicContact CE1-CB 3.81Å; Y503-K505 HydrophobicContact CE1-CG 4.36Å; Y503-K505 PolarHBondContact O-N 3.17Å; K505-D507 PolarHBondContact O-N 2.92Å; K505-V508 PolarHBondContact O-N 3.32Å |
| 506 | S | 59.5 | Low | 76.2 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -58.3 | -34.4 | -178.4 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | S500 S501 Y503 V508 I509 | S500-S506 WeakPolarHBondContact O-CB 2.94Å; S501-S506 PolarHBondContact O-OG 2.87Å; Y503-S506 WeakPolarHBondContact O-CB 3.1Å; Y503-S506 PolarHBondContact O-N 3.43Å; Y503-S506 PolarHBondContact O-OG 2.98Å; S506-V508 PolarHBondContact O-N 3.36Å; S506-V508 VanDerWaalsContact O-N 3.09Å; S506-I509 PolarHBondContact O-N 3.16Å |
| 507 | D | 64.3 | Low | 76.4 | Confident | 162 Ų | 162 | 49.4 Ų | 49.4 | 87% | 0.866 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.2 | 179.2 | -61.5 | -27.1 | 0 | 0 | 0 | 114.4 | K505 | K505-D507 PolarHBondContact O-N 2.92Š|
| 508 | V | 65.6 | Low | 76.7 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -104 | -24.6 | -169.8 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | K505 S506 | K505-V508 PolarHBondContact O-N 3.32Å; S506-V508 PolarHBondContact O-N 3.36Å; S506-V508 VanDerWaalsContact O-N 3.09Å |
| 509 | I | 69.6 | Low | 76.9 | Confident | 34 Ų | 34 | 48.8 Ų | 48.8 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -141.3 | 127.6 | -167.3 | -57.9 | -178.2 | 0 | 0 | 0 | 108.7 | S506 W511 P531 L546 | S506-I509 PolarHBondContact O-N 3.16Å; I509-W511 HydrophobicContact CG2-CZ2 4.45Å; I509-W511 PolarHBondContact O-NE1 3.24Å; I509-P531 HydrophobicContact CG2-CB 3.98Å; I509-L546 HydrophobicContact CD1-CD1 3.02Å; I509-L546 HydrophobicContact CD1-CG 4.49Å; I509-L546 HydrophobicContact CG1-CD1 4.45Å |
| 510 | H | 75.6 | Confident | 77 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | trans | -75.3 | 128.3 | 170.2 | -167.8 | 59.4 | 0 | 0 | 0 | 109.9 | C532 | H510-C532 HydrophobicContact CB-CB 4.2Å; H510-C532 WeakPolarHBondContact O-CB 3.46Å; H510-C532 PolarHBondContact O-N 2.96Å | ||
| 511 | W | 82.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.9 | 179.3 | -65.6 | 90.4 | 0 | 0 | 0 | 109.9 | Y503 I509 E529 K530 P531 L546 | Y503-W511 HydrophobicContact CD1-CZ2 4.04Å; Y503-W511 AromaticContact CD1-NE1 3.82Å; Y503-W511 AromaticContact CE1-CZ2 3.71Å; Y503-W511 HydrophobicContact CE1-CZ2 3.71Å; I509-W511 HydrophobicContact CG2-CZ2 4.45Å; I509-W511 PolarHBondContact O-NE1 3.24Å; W511-E529 HydrophobicContact CB-CG 4.19Å; W511-E529 HydrophobicContact CD2-CG 4.11Å; W511-E529 HydrophobicContact CE3-CG 3.47Å; W511-E529 VanDerWaalsContact CE3-CG 3.47Å; W511-E529 HydrophobicContact CG-CG 4.43Å; W511-E529 HydrophobicContact CZ3-CG 4.14Å; W511-K530 WeakPolarHBondContact CA-O 3.09Å; W511-K530 VanDerWaalsContact CE3-C 3.44Å; W511-P531 HydrophobicContact CE3-CB 4.05Å; W511-P531 HydrophobicContact CH2-CB 4.16Å; W511-P531 HydrophobicContact CH2-CG 4.49Å; W511-P531 HydrophobicContact CZ3-CB 3.88Å; W511-P531 HydrophobicContact CZ3-CG 4.1Å; W511-L546 HydrophobicContact CH2-CB 4.19Å; W511-L546 HydrophobicContact CH2-CD1 4.18Å; W511-L546 HydrophobicContact CH2-CD2 4.36Å; W511-L546 HydrophobicContact CH2-CG 4.49Å; W511-L546 HydrophobicContact CZ2-CD1 4.03Å |
| 512 | E | 85.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.9 | 179.3 | -51.1 | 176.5 | -172.5 | 0 | 0 | 110.9 | V475 H514 E529 K530 C532 | V475-E512 HydrophobicContact CG1-CB 4.21Å; V475-E512 HydrophobicContact CG1-CG 3.92Å; V475-E512 WeakPolarHBondContact O-CA 3.24Å; V475-E512 WeakPolarHBondContact O-CB 3.44Å; V475-E512 VanDerWaalsContact O-CG 3.24Å; V475-E512 WeakPolarHBondContact O-CG 3.12Å; E512-H514 VanDerWaalsContact CB-NE2 3.32Å; E512-H514 WeakPolarHBondContact CB-NE2 3.24Å; E512-H514 IonicContact OE2-CD2 3.16Å; E512-H514 IonicContact OE2-CE1 2.87Å; E512-H514 IonicContact OE2-NE2 2.81Å; E512-H514 PolarHBondContact OE2-NE2 2.99Å; E512-E529 WeakPolarHBondContact O-CA 3.23Å; E512-K530 HydrophobicContact CB-CG 4.27Å; E512-K530 PolarHBondContact N-O 3.15Å; E512-K530 PolarHBondContact O-N 3.47Å; E512-K530 IonicContact OE1-NZ 2.66Å; E512-K530 WeakPolarHBondContact OE2-CE 3.06Å; E512-K530 IonicContact OE2-NZ 2.79Å; E512-K530 PolarHBondContact OE2-NZ 2.66Å; E512-C532 HydrophobicContact CG-CB 4.38Å; E512-C532 PolarHBondContact OE1-SG 3.36Å |
| 513 | F | 90.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.8 | 173.3 | -60.8 | -7.5 | 0 | 0 | 0 | 110.8 | T461 S474 G477 Y478 W498 F527 L528 E529 | T461-F513 WeakPolarHBondContact CB-O 3.27Å; T461-F513 VanDerWaalsContact CG2-O 3.28Å; T461-F513 WeakPolarHBondContact CG2-O 3.24Å; T461-F513 PolarHBondContact OG1-O 3.38Å; S474-F513 CarbonylContact C-O 3.56Å; S474-F513 WeakPolarHBondContact O-CB 3.41Å; S474-F513 PolarHBondContact O-N 3.09Å; G477-F513 WeakPolarHBondContact O-CE2 3.42Å; G477-F513 WeakPolarHBondContact O-CZ 3.37Å; Y478-F513 VanDerWaalsContact C-CD2 3.48Å; W498-F513 AromaticContact CD1-CE2 3.74Å; W498-F513 AromaticContact CD1-CZ 3.62Å; F513-F527 HydrophobicContact CB-CD2 4.09Å; F513-F527 HydrophobicContact CD1-CD2 4.1Å; F513-F527 AromaticContact CD1-CE2 3.86Å; F513-F527 HydrophobicContact CD1-CE2 3.86Å; F513-F527 AromaticContact CD2-CD2 3.84Å; F513-F527 HydrophobicContact CD2-CD2 3.84Å; F513-F527 AromaticContact CD2-CE2 3.6Å; F513-F527 HydrophobicContact CD2-CE2 3.6Å; F513-F527 HydrophobicContact CD2-CZ 4.34Å; F513-F527 AromaticContact CE1-CE2 3.88Å; F513-F527 HydrophobicContact CE1-CE2 3.88Å; F513-F527 HydrophobicContact CE2-CD2 4.32Å; F513-F527 AromaticContact CE2-CE2 3.61Å; F513-F527 HydrophobicContact CE2-CE2 3.61Å; F513-F527 HydrophobicContact CE2-CZ 4.07Å; F513-F527 AromaticContact CG-CD2 3.74Å; F513-F527 HydrophobicContact CG-CD2 3.74Å; F513-F527 AromaticContact CG-CE2 3.76Å; F513-F527 HydrophobicContact CG-CE2 3.76Å; F513-F527 AromaticContact CZ-CE2 3.77Å; F513-F527 HydrophobicContact CZ-CE2 3.77Å; F513-F527 HydrophobicContact CZ-CZ 4.34Å; F513-L528 CarbonylContact C-O 3.4Å; F513-L528 VanDerWaalsContact CA-O 3.3Å; F513-L528 WeakPolarHBondContact CA-O 3.4Å; F513-E529 HydrophobicContact CD1-CB 3.93Å; F513-E529 HydrophobicContact CD1-CG 4.05Å; F513-E529 HydrophobicContact CE1-CB 3.93Å; F513-E529 HydrophobicContact CE1-CG 3.74Å; F513-E529 WeakPolarHBondContact CE1-OE1 3.37Å |
| 514 | H | 88.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.7 | -172.5 | -74.6 | -94.8 | 0 | 0 | 0 | 112 | C26 E512 L528 K530 | C26-H514 PolarHBondContact N-O 3.19Å; C26-H514 PolarHBondContact SG-O 3.34Å; E512-H514 VanDerWaalsContact CB-NE2 3.32Å; E512-H514 WeakPolarHBondContact CB-NE2 3.24Å; E512-H514 IonicContact OE2-CD2 3.16Å; E512-H514 IonicContact OE2-CE1 2.87Å; E512-H514 IonicContact OE2-NE2 2.81Å; E512-H514 PolarHBondContact OE2-NE2 2.99Å; H514-L528 HydrophobicContact CB-CB 4.4Å; H514-L528 HydrophobicContact CB-CD2 4.46Å; H514-L528 PolarHBondContact N-O 2.78Å; H514-L528 VanDerWaalsContact O-CB 3.24Å; H514-L528 WeakPolarHBondContact O-CB 3.44Å; H514-L528 PolarHBondContact O-N 3.38Å; H514-K530 WeakPolarHBondContact CD2-CE 3.24Å; H514-K530 WeakPolarHBondContact NE2-CE 3.14Å |
| 515 | G | 90 | Very high | 83.5 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.3 | 161.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C26 T473 F527 | C26-G515 VanDerWaalsContact SG-C 3.57Å; T473-G515 PolarHBondContact OG1-O 2.63Å; G515-F527 WeakPolarHBondContact O-CB 3.31Å |
| 516 | L | 93.4 | Very high | 85 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 128.9 | 179.4 | 178.1 | 59.7 | 0 | 0 | 0 | 108.2 | H464 L471 T473 L479 I525 | H464-L516 HydrophobicContact CB-CD2 3.83Å; H464-L516 HydrophobicContact CB-CG 4.16Å; L471-L516 HydrophobicContact CB-CD2 3.73Å; L471-L516 WeakPolarHBondContact O-CD2 3.43Å; T473-L516 HydrophobicContact CG2-CB 4Å; T473-L516 HydrophobicContact CG2-CD1 3.94Å; T473-L516 HydrophobicContact CG2-CD2 4.39Å; T473-L516 HydrophobicContact CG2-CG 4.33Å; L479-L516 HydrophobicContact CD1-CD1 3.92Å; L516-I525 HydrophobicContact CD1-CG2 3.62Å |
| 517 | S | 92.8 | Very high | 86.6 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.4 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | G28 C526 | G28-S517 WeakPolarHBondContact CA-OG 3.35Å; S517-C526 PolarHBondContact N-O 2.85Å; S517-C526 WeakPolarHBondContact O-CA 3.3Å; S517-C526 PolarHBondContact O-N 2.86Å |
| 518 | V | 93.2 | Very high | 87.9 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 13% | 0.133 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.8 | 170.3 | 179 | 0 | 0 | 0 | 0 | 107 | H464 L471 Y524 I525 | H464-V518 HydrophobicContact CB-CG2 3.93Å; H464-V518 VanDerWaalsContact CD2-CG2 3.47Å; H464-V518 WeakPolarHBondContact CD2-CG2 3.43Å; H464-V518 VanDerWaalsContact CG-CG2 3.46Å; L471-V518 HydrophobicContact CD1-CG2 3.93Å; V518-Y524 WeakPolarHBondContact CA-O 3.44Å; V518-I525 HydrophobicContact CG2-CG1 4.3Å |
| 519 | S | 92.5 | Very high | 89 | Confident | 7 Ų | 7 | 18.1 Ų | 18.1 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | trans | -62 | 158.8 | 177.1 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | D32 N521 G522 V523 Y524 D577 | D32-S519 VanDerWaalsContact OD1-CA 3.24Å; D32-S519 WeakPolarHBondContact OD1-CA 3.21Å; D32-S519 WeakPolarHBondContact OD1-CB 3.41Å; S519-N521 PolarHBondContact O-N 3.46Å; S519-G522 WeakPolarHBondContact O-CA 3.06Å; S519-G522 PolarHBondContact O-N 2.82Å; S519-V523 PolarHBondContact OG-N 3.01Å; S519-V523 VanDerWaalsContact OG-N 3.09Å; S519-Y524 PolarHBondContact N-O 3.27Å; S519-Y524 PolarHBondContact OG-N 2.84Å; S519-Y524 VanDerWaalsContact OG-N 3.09Å; S519-D577 WeakPolarHBondContact CB-OD2 3.14Å; S519-D577 PolarHBondContact OG-OD2 3.26Å | ||
| 520 | T | 87.3 | Confident | 89.7 | Confident | 64 Ų | 64 | 17.7 Ų | 17.7 | 39% | 0.393 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33.5 | -172.2 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | S30 D32 | S30-T520 VanDerWaalsContact O-CG2 3.31Å; S30-T520 WeakPolarHBondContact O-CG2 3.39Å; D32-T520 WeakPolarHBondContact OD1-CG2 3.47Å; D32-T520 PolarHBondContact OD1-N 3.02Å; D32-T520 PolarHBondContact OD1-OG1 3.05Å; D32-T520 PolarHBondContact OD2-OG1 3.21Å |
| 521 | N | 89.4 | Confident | 89.8 | Confident | 33 Ų | 33 | 13.8 Ų | 13.8 | 18% | 0.176 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.6 | 173.8 | -57.9 | -56.3 | 0 | 0 | 0 | 113.3 | S519 V523 W556 I564 R574 D577 | S519-N521 PolarHBondContact O-N 3.46Å; N521-V523 VanDerWaalsContact C-N 3.32Å; N521-V523 HydrophobicContact CB-CG2 4.16Å; N521-V523 PolarHBondContact O-N 2.77Å; N521-W556 WeakPolarHBondContact O-CH2 3.46Å; N521-W556 WeakPolarHBondContact O-CZ2 3.44Å; N521-I564 HydrophobicContact CB-CD1 4.24Å; N521-R574 PolarHBondContact ND2-O 2.63Å; N521-D577 WeakPolarHBondContact CB-OD2 3.49Å; N521-D577 PolarHBondContact N-OD2 2.99Å; N521-D577 PolarHBondContact ND2-OD1 2.73Å |
| 522 | G | 89.2 | Confident | 89.4 | Confident | 27 Ų | 27 | 14.4 Ų | 14.4 | 28% | 0.278 | 9% | 0.089 | S | C | . | . | S | Bend | trans | 81.9 | 2.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S519 Y524 W556 | S519-G522 WeakPolarHBondContact O-CA 3.06Å; S519-G522 PolarHBondContact O-N 2.82Å; G522-Y524 PolarHBondContact O-N 2.79Å; G522-W556 VanDerWaalsContact C-NE1 3.26Å; G522-W556 PolarHBondContact O-NE1 3.39Å |
| 523 | V | 91.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | trans | -62.9 | -43.6 | -174.5 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | S519 N521 S554 W556 D577 C578 E581 | S519-V523 PolarHBondContact OG-N 3.01Å; S519-V523 VanDerWaalsContact OG-N 3.09Å; N521-V523 VanDerWaalsContact C-N 3.32Å; N521-V523 HydrophobicContact CB-CG2 4.16Å; N521-V523 PolarHBondContact O-N 2.77Å; V523-S554 WeakPolarHBondContact O-CA 3.4Å; V523-S554 WeakPolarHBondContact O-CB 3.2Å; V523-S554 PolarHBondContact O-OG 3.21Å; V523-W556 HydrophobicContact CG2-CD2 4.12Å; V523-W556 HydrophobicContact CG2-CE3 4.27Å; V523-W556 HydrophobicContact CG2-CZ2 4.49Å; V523-D577 HydrophobicContact CB-CB 4.19Å; V523-D577 HydrophobicContact CG2-CB 4.49Å; V523-C578 HydrophobicContact CG2-CB 4.44Å; V523-C578 WeakPolarHBondContact CG2-SG 3.3Å; V523-E581 HydrophobicContact CG1-CB 3.74Å; V523-E581 HydrophobicContact CG1-CG 4.04Å | ||
| 524 | Y | 93.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -117.4 | 131.7 | -177.5 | -70 | -75 | 0 | 0 | 0 | 112 | F47 I59 V518 S519 G522 F552 L553 D577 Q580 E581 | F47-Y524 AromaticContact CE1-CD2 3.69Å; F47-Y524 HydrophobicContact CE1-CD2 3.69Å; F47-Y524 AromaticContact CE1-CE2 3.84Å; F47-Y524 HydrophobicContact CE1-CE2 3.84Å; F47-Y524 HydrophobicContact CE1-CG 4.24Å; F47-Y524 HydrophobicContact CE2-CD2 4.21Å; F47-Y524 AromaticContact CZ-CD2 3.39Å; F47-Y524 HydrophobicContact CZ-CD2 3.39Å; F47-Y524 AromaticContact CZ-CE2 3.98Å; F47-Y524 HydrophobicContact CZ-CE2 3.98Å; F47-Y524 AromaticContact CZ-CG 3.94Å; F47-Y524 HydrophobicContact CZ-CG 3.94Å; I59-Y524 HydrophobicContact CD1-CD1 4.14Å; I59-Y524 HydrophobicContact CD1-CE1 3.48Å; I59-Y524 VanDerWaalsContact CD1-CE1 3.48Å; I59-Y524 HydrophobicContact CD1-CE2 4.39Å; V518-Y524 WeakPolarHBondContact CA-O 3.44Å; S519-Y524 PolarHBondContact N-O 3.27Å; S519-Y524 PolarHBondContact OG-N 2.84Å; S519-Y524 VanDerWaalsContact OG-N 3.09Å; G522-Y524 PolarHBondContact O-N 2.79Å; Y524-F552 HydrophobicContact CD1-CB 4.07Å; Y524-F552 HydrophobicContact CE1-CB 4.44Å; Y524-L553 WeakPolarHBondContact CA-O 3.27Å; Y524-D577 HydrophobicContact CD2-CB 3.99Å; Y524-D577 HydrophobicContact CE2-CB 4.34Å; Y524-D577 WeakPolarHBondContact CE2-O 3.05Å; Y524-Q580 HydrophobicContact CE2-CB 4.25Å; Y524-Q580 HydrophobicContact CE2-CG 4.41Å; Y524-E581 WeakPolarHBondContact CE1-OE2 3.42Å; Y524-E581 HydrophobicContact CE2-CB 4.25Å; Y524-E581 VanDerWaalsContact OH-CA 3.28Å; Y524-E581 WeakPolarHBondContact OH-CA 3.39Å; Y524-E581 PolarHBondContact OH-N 2.74Å; Y524-E581 PolarHBondContact OH-OE2 2.71Å | ||
| 525 | I | 94.5 | Very high | 84.3 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.1 | 163.8 | -56.3 | 176.2 | 0 | 0 | 0 | 107.7 | L471 L479 L516 V518 L553 F555 | L471-I525 HydrophobicContact CD1-CD1 3.65Å; L471-I525 HydrophobicContact CD1-CG1 4.15Å; L471-I525 HydrophobicContact CD2-CD1 4.14Å; L479-I525 HydrophobicContact CD1-CG2 4.2Å; L479-I525 HydrophobicContact CD2-CG2 4.05Å; L516-I525 HydrophobicContact CD1-CG2 3.62Å; V518-I525 HydrophobicContact CG2-CG1 4.3Å; I525-L553 PolarHBondContact N-O 3.13Å; I525-L553 PolarHBondContact O-N 3.26Å; I525-F555 HydrophobicContact CD1-CD2 3.85Å; I525-F555 HydrophobicContact CD1-CE2 3.86Å |
| 526 | C | 94.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132 | -174.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | I34 S517 H551 F552 | I34-C526 HydrophobicContact CD1-CB 3.61Å; S517-C526 PolarHBondContact N-O 2.85Å; S517-C526 WeakPolarHBondContact O-CA 3.3Å; S517-C526 PolarHBondContact O-N 2.86Å; C526-H551 WeakPolarHBondContact CA-O 3.15Å; C526-F552 WeakPolarHBondContact SG-CD1 3.42Å |
| 527 | F | 93.5 | Very high | 80 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 159.8 | 175.6 | 63.4 | -86.1 | 0 | 0 | 0 | 111.2 | C26 T473 L479 W498 F513 G515 E529 V550 H551 L553 | C26-F527 VanDerWaalsContact SG-CA 3.56Å; T473-F527 HydrophobicContact CG2-CB 3.87Å; T473-F527 HydrophobicContact CG2-CG 4.28Å; L479-F527 HydrophobicContact CD2-CD1 4.25Å; L479-F527 HydrophobicContact CD2-CE1 3.93Å; W498-F527 AromaticContact CD1-CZ 3.65Å; W498-F527 HydrophobicContact CG-CZ 4.06Å; F513-F527 HydrophobicContact CB-CD2 4.09Å; F513-F527 HydrophobicContact CD1-CD2 4.1Å; F513-F527 AromaticContact CD1-CE2 3.86Å; F513-F527 HydrophobicContact CD1-CE2 3.86Å; F513-F527 AromaticContact CD2-CD2 3.84Å; F513-F527 HydrophobicContact CD2-CD2 3.84Å; F513-F527 AromaticContact CD2-CE2 3.6Å; F513-F527 HydrophobicContact CD2-CE2 3.6Å; F513-F527 HydrophobicContact CD2-CZ 4.34Å; F513-F527 AromaticContact CE1-CE2 3.88Å; F513-F527 HydrophobicContact CE1-CE2 3.88Å; F513-F527 HydrophobicContact CE2-CD2 4.32Å; F513-F527 AromaticContact CE2-CE2 3.61Å; F513-F527 HydrophobicContact CE2-CE2 3.61Å; F513-F527 HydrophobicContact CE2-CZ 4.07Å; F513-F527 AromaticContact CG-CD2 3.74Å; F513-F527 HydrophobicContact CG-CD2 3.74Å; F513-F527 AromaticContact CG-CE2 3.76Å; F513-F527 HydrophobicContact CG-CE2 3.76Å; F513-F527 AromaticContact CZ-CE2 3.77Å; F513-F527 HydrophobicContact CZ-CE2 3.77Å; F513-F527 HydrophobicContact CZ-CZ 4.34Å; G515-F527 WeakPolarHBondContact O-CB 3.31Å; F527-E529 HydrophobicContact CE2-CB 4.49Å; F527-V550 WeakPolarHBondContact O-CA 3.32Å; F527-H551 HydrophobicContact CD1-CB 4.1Å; F527-H551 HydrophobicContact CD2-CB 4.41Å; F527-H551 HydrophobicContact CE1-CB 3.6Å; F527-H551 HydrophobicContact CE2-CB 3.95Å; F527-H551 AromaticContact CE2-CD2 3.91Å; F527-H551 AromaticContact CE2-CG 3.86Å; F527-H551 HydrophobicContact CG-CB 4.48Å; F527-H551 HydrophobicContact CZ-CB 3.52Å; F527-H551 AromaticContact CZ-CG 3.65Å; F527-H551 PolarHBondContact N-O 3.21Å; F527-H551 PolarHBondContact O-N 2.7Å; F527-L553 HydrophobicContact CE1-CD1 3.72Å; F527-L553 HydrophobicContact CE1-CG 4.1Å; F527-L553 HydrophobicContact CZ-CD1 4.37Å |
| 528 | L | 91.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.7 | -179.9 | -172.2 | 68 | 0 | 0 | 0 | 110.5 | I20 C26 I36 F513 H514 P548 R549 V550 | I20-L528 HydrophobicContact CB-CD2 4.47Å; I20-L528 HydrophobicContact CD1-CD1 3.87Å; I20-L528 HydrophobicContact CD1-CD2 3.28Å; I20-L528 HydrophobicContact CD1-CG 3.56Å; I20-L528 HydrophobicContact CG1-CD2 3.8Å; I20-L528 HydrophobicContact CG1-CG 4.5Å; I20-L528 HydrophobicContact CG2-CD2 3.85Å; C26-L528 HydrophobicContact CB-CB 4.11Å; I36-L528 HydrophobicContact CG2-CD1 4.27Å; I36-L528 HydrophobicContact CG2-CD2 4.36Å; F513-L528 CarbonylContact C-O 3.4Å; F513-L528 VanDerWaalsContact CA-O 3.3Å; F513-L528 WeakPolarHBondContact CA-O 3.4Å; H514-L528 HydrophobicContact CB-CB 4.4Å; H514-L528 HydrophobicContact CB-CD2 4.46Å; H514-L528 PolarHBondContact N-O 2.78Å; H514-L528 VanDerWaalsContact O-CB 3.24Å; H514-L528 WeakPolarHBondContact O-CB 3.44Å; H514-L528 PolarHBondContact O-N 3.38Å; L528-P548 HydrophobicContact CD1-CB 4.46Å; L528-R549 CarbonylContact C-O 3.57Å; L528-R549 WeakPolarHBondContact CA-O 3.33Å; L528-V550 HydrophobicContact CD1-CG2 3.69Å |
| 529 | E | 88.9 | Confident | 75.8 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.6 | 169.7 | 175 | 178.5 | -121.8 | 0 | 0 | 109.5 | W511 E512 F513 F527 P548 R549 H551 | W511-E529 HydrophobicContact CB-CG 4.19Å; W511-E529 HydrophobicContact CD2-CG 4.11Å; W511-E529 HydrophobicContact CE3-CG 3.47Å; W511-E529 VanDerWaalsContact CE3-CG 3.47Å; W511-E529 HydrophobicContact CG-CG 4.43Å; W511-E529 HydrophobicContact CZ3-CG 4.14Å; E512-E529 WeakPolarHBondContact O-CA 3.23Å; F513-E529 HydrophobicContact CD1-CB 3.93Å; F513-E529 HydrophobicContact CD1-CG 4.05Å; F513-E529 HydrophobicContact CE1-CB 3.93Å; F513-E529 HydrophobicContact CE1-CG 3.74Å; F513-E529 WeakPolarHBondContact CE1-OE1 3.37Å; F527-E529 HydrophobicContact CE2-CB 4.49Å; E529-P548 CarbonylContact O-C 3.59Å; E529-P548 WeakPolarHBondContact O-CA 3.37Å; E529-R549 HydrophobicContact CB-CB 4.5Å; E529-R549 PolarHBondContact N-O 3.09Å; E529-R549 PolarHBondContact O-N 2.71Å; E529-H551 IonicContact OE2-CE1 2.66Å; E529-H551 IonicContact OE2-NE2 3.9Å; E529-H551 PolarHBondContact OE2-NE2 3.3Å |
| 530 | K | 83.9 | Confident | 73.7 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 145.5 | 175.6 | 77.7 | 179.6 | 176 | 76.6 | 0 | 112.2 | I20 W511 E512 H514 P548 | I20-K530 HydrophobicContact CB-CD 4.1Å; I20-K530 HydrophobicContact CD1-CB 3.56Å; I20-K530 HydrophobicContact CD1-CD 3.77Å; I20-K530 HydrophobicContact CD1-CG 4.27Å; I20-K530 HydrophobicContact CG2-CD 4.32Å; W511-K530 WeakPolarHBondContact CA-O 3.09Å; W511-K530 VanDerWaalsContact CE3-C 3.44Å; E512-K530 HydrophobicContact CB-CG 4.27Å; E512-K530 PolarHBondContact N-O 3.15Å; E512-K530 PolarHBondContact O-N 3.47Å; E512-K530 IonicContact OE1-NZ 2.66Å; E512-K530 WeakPolarHBondContact OE2-CE 3.06Å; E512-K530 IonicContact OE2-NZ 2.79Å; E512-K530 PolarHBondContact OE2-NZ 2.66Å; H514-K530 WeakPolarHBondContact CD2-CE 3.24Å; H514-K530 WeakPolarHBondContact NE2-CE 3.14Å; K530-P548 HydrophobicContact CB-CB 3.99Å; K530-P548 HydrophobicContact CB-CG 4.25Å |
| 531 | P | 78.7 | Confident | 72 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 142.3 | 175 | 30.6 | -32.5 | 0 | 0 | 0 | 109.9 | I509 W511 N533 L546 | I509-P531 HydrophobicContact CG2-CB 3.98Å; W511-P531 HydrophobicContact CE3-CB 4.05Å; W511-P531 HydrophobicContact CH2-CB 4.16Å; W511-P531 HydrophobicContact CH2-CG 4.49Å; W511-P531 HydrophobicContact CZ3-CB 3.88Å; W511-P531 HydrophobicContact CZ3-CG 4.1Å; P531-N533 PolarHBondContact O-N 2.69Å; P531-N533 VanDerWaalsContact O-N 3.13Å; P531-L546 HydrophobicContact CB-CB 4.31Å; P531-L546 HydrophobicContact CG-CB 3.92Å; P531-L546 WeakPolarHBondContact CG-O 3.43Å |
| 532 | C | 72.6 | Confident | 70.3 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | trans | -74.7 | 101 | 169.6 | -163 | 0 | 0 | 0 | 0 | 109.2 | H510 E512 Y534 | H510-C532 HydrophobicContact CB-CB 4.2Å; H510-C532 WeakPolarHBondContact O-CB 3.46Å; H510-C532 PolarHBondContact O-N 2.96Å; E512-C532 HydrophobicContact CG-CB 4.38Å; E512-C532 PolarHBondContact OE1-SG 3.36Å; C532-Y534 VanDerWaalsContact C-N 3.26Å; C532-Y534 HydrophobicContact CB-CD2 4.39Å; C532-Y534 HydrophobicContact CB-CE2 4.39Å; C532-Y534 PolarHBondContact O-N 2.7Å; C532-Y534 WeakPolarHBondContact SG-CE2 3.28Å | ||
| 533 | N | 58.6 | Low | 68.4 | Low | 65 Ų | 65 | 70.2 Ų | 70.2 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | trans | -79.6 | 73.2 | 174.4 | -74.3 | -15.2 | 0 | 0 | 0 | 109.9 | P531 L535 | P531-N533 PolarHBondContact O-N 2.69Å; P531-N533 VanDerWaalsContact O-N 3.13Å; N533-L535 PolarHBondContact O-N 2.9Å | ||
| 534 | Y | 51.4 | Low | 66.5 | Low | 153 Ų | 153 | 74.1 Ų | 74.1 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | trans | -58 | 136.6 | 158 | -77.5 | -81 | 0 | 0 | 0 | 108 | C532 D536 N537 | C532-Y534 VanDerWaalsContact C-N 3.26Å; C532-Y534 HydrophobicContact CB-CD2 4.39Å; C532-Y534 HydrophobicContact CB-CE2 4.39Å; C532-Y534 PolarHBondContact O-N 2.7Å; C532-Y534 WeakPolarHBondContact SG-CE2 3.28Å; Y534-D536 PolarHBondContact O-N 2.82Å; Y534-N537 PolarHBondContact O-N 3.28Å | ||
| 535 | L | 48.7 | Very low | 64.9 | Low | 144 Ų | 144 | 80.1 Ų | 80.1 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -48.4 | -26.9 | 176.5 | -74.6 | 164.7 | 0 | 0 | 0 | 112.3 | N533 | N533-L535 PolarHBondContact O-N 2.9Å |
| 536 | D | 47.3 | Very low | 63.7 | Low | 111 Ų | 111 | 81.8 Ų | 81.8 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.5 | -29.7 | 178.9 | -66.3 | -30.5 | 0 | 0 | 0 | 114.6 | Y534 T540 | Y534-D536 PolarHBondContact O-N 2.82Å; D536-T540 PolarHBondContact O-N 2.96Å; D536-T540 PolarHBondContact O-OG1 2.85Å |
| 537 | N | 47.2 | Very low | 62.9 | Low | 63 Ų | 63 | 83.3 Ų | 83.3 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74.1 | -36.4 | -179.1 | -80.4 | -15.7 | 0 | 0 | 0 | 112.1 | Y534 | Y534-N537 PolarHBondContact O-N 3.28Å |
| 538 | N | 47.2 | Very low | 62.5 | Low | 83 Ų | 83 | 83.9 Ų | 83.9 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 178 | -81.6 | -19.7 | 0 | 0 | 0 | 112.2 | ||
| 539 | R | 49.2 | Very low | 62.2 | Low | 205 Ų | 205 | 85.6 Ų | 85.6 | 77% | 0.774 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -73.7 | -38 | -179.8 | -78.6 | -177.4 | 173.7 | -177.8 | -0.8 | 113 | ||
| 540 | T | 49.5 | Very low | 62.3 | Low | 103 Ų | 103 | 85.5 Ų | 85.5 | 63% | 0.632 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -81.3 | -31 | -170 | 43 | 0 | 0 | 0 | 0 | 113.7 | D536 | D536-T540 PolarHBondContact O-N 2.96Å; D536-T540 PolarHBondContact O-OG1 2.85Å |
| 541 | R | 52.3 | Low | 62.7 | Low | 147 Ų | 147 | 84.6 Ų | 84.6 | 56% | 0.555 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -111.5 | -15.1 | -163.3 | -64 | -167.1 | 177.6 | -158 | 2.7 | 118 | S543 | R541-S543 VanDerWaalsContact CB-OG 3.28Å; R541-S543 WeakPolarHBondContact CB-OG 3.43Å; R541-S543 WeakPolarHBondContact O-CB 3.43Å; R541-S543 PolarHBondContact O-N 2.84Å |
| 542 | R | 52.7 | Low | 63.4 | Low | 252 Ų | 252 | 84.3 Ų | 84.3 | 95% | 0.951 | 42% | 0.417 | S | S | * | . | trans | 43.4 | 14.9 | -175.7 | -73 | -171.4 | 177.5 | -176.3 | 0.3 | 114.7 | ||||
| 543 | S | 49.1 | Very low | 64.3 | Low | 81 Ų | 81 | 83.7 Ų | 83.7 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | trans | -100.8 | 119.6 | -167.8 | 55.2 | 0 | 0 | 0 | 0 | 107.5 | R541 | R541-S543 VanDerWaalsContact CB-OG 3.28Å; R541-S543 WeakPolarHBondContact CB-OG 3.43Å; R541-S543 WeakPolarHBondContact O-CB 3.43Å; R541-S543 PolarHBondContact O-N 2.84Å | ||
| 544 | A | 52.4 | Low | 65.9 | Low | 83 Ų | 83 | 80.6 Ų | 80.6 | 69% | 0.686 | 40% | 0.395 | S | S | * | . | trans | 19.7 | 103.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L546 | A544-L546 PolarHBondContact O-N 2.9Š| ||
| 545 | L | 58.6 | Low | 67.7 | Low | 126 Ų | 126 | 75.5 Ų | 75.5 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | trans | -45.9 | 102.2 | 169.1 | -159.5 | 102.5 | 0 | 0 | 0 | 108.4 | S547 | L545-S547 PolarHBondContact O-N 2.83Å; L545-S547 VanDerWaalsContact O-N 3.09Å | ||
| 546 | L | 70.1 | Confident | 69.6 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | trans | -69.4 | 115.6 | -176.7 | -77.7 | 164.7 | 0 | 0 | 0 | 107.3 | I509 W511 P531 A544 | I509-L546 HydrophobicContact CD1-CD1 3.02Å; I509-L546 HydrophobicContact CD1-CG 4.49Å; I509-L546 HydrophobicContact CG1-CD1 4.45Å; W511-L546 HydrophobicContact CH2-CB 4.19Å; W511-L546 HydrophobicContact CH2-CD1 4.18Å; W511-L546 HydrophobicContact CH2-CD2 4.36Å; W511-L546 HydrophobicContact CH2-CG 4.49Å; W511-L546 HydrophobicContact CZ2-CD1 4.03Å; P531-L546 HydrophobicContact CB-CB 4.31Å; P531-L546 HydrophobicContact CG-CB 3.92Å; P531-L546 WeakPolarHBondContact CG-O 3.43Å; A544-L546 PolarHBondContact O-N 2.9Å | ||
| 547 | S | 77.6 | Confident | 71.5 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | trans | -71.6 | 140.2 | 176.9 | 54 | 0 | 0 | 0 | 0 | 109.3 | V16 L545 | V16-S547 WeakPolarHBondContact O-CB 3.45Å; L545-S547 PolarHBondContact O-N 2.83Å; L545-S547 VanDerWaalsContact O-N 3.09Å | ||
| 548 | P | 84.3 | Confident | 73.4 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | trans | -57.4 | 159.4 | 164.6 | -19.5 | 30.7 | 0 | 0 | 0 | 112.8 | V16 I20 L528 E529 K530 | V16-P548 PolarHBondContact N-O 3.2Å; I20-P548 HydrophobicContact CD1-CB 3.13Å; I20-P548 HydrophobicContact CD1-CG 3.38Å; I20-P548 HydrophobicContact CG1-CB 3.94Å; I20-P548 HydrophobicContact CG1-CG 3.79Å; L528-P548 HydrophobicContact CD1-CB 4.46Å; E529-P548 CarbonylContact O-C 3.59Å; E529-P548 WeakPolarHBondContact O-CA 3.37Å; K530-P548 HydrophobicContact CB-CB 3.99Å; K530-P548 HydrophobicContact CB-CG 4.25Å | ||
| 549 | R | 87.1 | Confident | 75.3 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.4 | -168.9 | -67.9 | 173.6 | 179.5 | 173.5 | -0.8 | 111.1 | V13 L14 Y503 L528 E529 | V13-R549 HydrophobicContact CG1-CB 3.73Å; V13-R549 HydrophobicContact CG1-CG 4.01Å; L14-R549 CarbonylContact O-C 3.57Å; L14-R549 VanDerWaalsContact O-CA 3.31Å; L14-R549 WeakPolarHBondContact O-CA 3.2Å; Y503-R549 PolarHBondContact OH-NH1 2.95Å; Y503-R549 PolarHBondContact OH-NH2 3.24Å; L528-R549 CarbonylContact C-O 3.57Å; L528-R549 WeakPolarHBondContact CA-O 3.33Å; E529-R549 HydrophobicContact CB-CB 4.5Å; E529-R549 PolarHBondContact N-O 3.09Å; E529-R549 PolarHBondContact O-N 2.71Å |
| 550 | V | 91 | Very high | 77.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.5 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 107 | V13 L14 V16 I36 L45 F527 L528 F552 | V13-V550 WeakPolarHBondContact CA-O 3.36Å; L14-V550 PolarHBondContact N-O 3.16Å; L14-V550 PolarHBondContact O-N 3.4Å; V16-V550 HydrophobicContact CG2-CG2 3.79Å; I36-V550 HydrophobicContact CD1-CG2 3.25Å; I36-V550 HydrophobicContact CG1-CG2 4.43Å; L45-V550 HydrophobicContact CD1-CB 4.17Å; L45-V550 HydrophobicContact CD1-CG1 4.04Å; L45-V550 HydrophobicContact CD1-CG2 3.96Å; F527-V550 WeakPolarHBondContact O-CA 3.32Å; L528-V550 HydrophobicContact CD1-CG2 3.69Å; V550-F552 HydrophobicContact CB-CE2 4.08Å; V550-F552 HydrophobicContact CG1-CD2 4.2Å; V550-F552 HydrophobicContact CG1-CE2 3.57Å; V550-F552 HydrophobicContact CG1-CZ 3.93Å |
| 551 | H | 91.6 | Very high | 79.1 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 139.7 | 176.4 | -70.8 | -105.8 | 0 | 0 | 0 | 108.9 | W498 C526 F527 E529 L553 | W498-H551 AromaticContact CZ2-ND1 3.94Å; C526-H551 WeakPolarHBondContact CA-O 3.15Å; F527-H551 HydrophobicContact CD1-CB 4.1Å; F527-H551 HydrophobicContact CD2-CB 4.41Å; F527-H551 HydrophobicContact CE1-CB 3.6Å; F527-H551 HydrophobicContact CE2-CB 3.95Å; F527-H551 AromaticContact CE2-CD2 3.91Å; F527-H551 AromaticContact CE2-CG 3.86Å; F527-H551 HydrophobicContact CG-CB 4.48Å; F527-H551 HydrophobicContact CZ-CB 3.52Å; F527-H551 AromaticContact CZ-CG 3.65Å; F527-H551 PolarHBondContact N-O 3.21Å; F527-H551 PolarHBondContact O-N 2.7Å; E529-H551 IonicContact OE2-CE1 2.66Å; E529-H551 IonicContact OE2-NE2 3.9Å; E529-H551 PolarHBondContact OE2-NE2 3.3Å; H551-L553 HydrophobicContact CB-CD2 4.41Å |
| 552 | F | 92.8 | Very high | 80.9 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.3 | 170 | -65.9 | -99.7 | 0 | 0 | 0 | 106.7 | S11 V12 L14 I34 L45 F47 I59 A60 Y524 C526 V550 | S11-F552 WeakPolarHBondContact CA-O 3.37Å; V12-F552 PolarHBondContact N-O 2.74Å; V12-F552 PolarHBondContact O-N 2.84Å; L14-F552 HydrophobicContact CB-CE2 4.28Å; I34-F552 HydrophobicContact CD1-CE1 3.53Å; I34-F552 HydrophobicContact CD1-CZ 3.8Å; L45-F552 HydrophobicContact CD1-CE2 4.31Å; L45-F552 HydrophobicContact CD1-CZ 3.97Å; F47-F552 AromaticContact CE1-CD1 3.7Å; F47-F552 HydrophobicContact CE1-CD1 3.7Å; F47-F552 AromaticContact CE1-CE1 3.72Å; F47-F552 HydrophobicContact CE1-CE1 3.72Å; F47-F552 HydrophobicContact CZ-CD1 4.07Å; F47-F552 HydrophobicContact CZ-CE1 4.07Å; I59-F552 HydrophobicContact CD1-CB 3.45Å; I59-F552 VanDerWaalsContact CD1-CB 3.45Å; I59-F552 HydrophobicContact CD1-CD1 3.86Å; I59-F552 HydrophobicContact CD1-CD2 4.37Å; I59-F552 HydrophobicContact CD1-CG 3.66Å; I59-F552 HydrophobicContact CG1-CD1 4.26Å; I59-F552 HydrophobicContact CG1-CG 4.28Å; I59-F552 HydrophobicContact CG2-CD2 3.63Å; I59-F552 HydrophobicContact CG2-CE2 3.77Å; I59-F552 HydrophobicContact CG2-CG 4.04Å; I59-F552 HydrophobicContact CG2-CZ 4.29Å; A60-F552 HydrophobicContact CB-CZ 4.06Å; Y524-F552 HydrophobicContact CD1-CB 4.07Å; Y524-F552 HydrophobicContact CE1-CB 4.44Å; C526-F552 WeakPolarHBondContact SG-CD1 3.42Å; V550-F552 HydrophobicContact CB-CE2 4.08Å; V550-F552 HydrophobicContact CG1-CD2 4.2Å; V550-F552 HydrophobicContact CG1-CE2 3.57Å; V550-F552 HydrophobicContact CG1-CZ 3.93Å |
| 553 | L | 92.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.2 | -178.2 | -53.1 | -172.5 | 0 | 0 | 0 | 109.4 | P8 L479 W498 Y524 I525 F527 H551 F555 | P8-L553 HydrophobicContact CB-CB 4.21Å; P8-L553 HydrophobicContact CG-CD2 4.15Å; L479-L553 HydrophobicContact CD2-CD1 3.83Å; W498-L553 HydrophobicContact CB-CD1 4.04Å; W498-L553 HydrophobicContact CD2-CD1 3.97Å; W498-L553 HydrophobicContact CD2-CD2 4.45Å; W498-L553 HydrophobicContact CE3-CD1 3.76Å; W498-L553 HydrophobicContact CE3-CD2 4Å; W498-L553 HydrophobicContact CG-CD1 4.12Å; W498-L553 HydrophobicContact CH2-CD2 4.34Å; W498-L553 HydrophobicContact CZ3-CD2 3.95Å; Y524-L553 WeakPolarHBondContact CA-O 3.27Å; I525-L553 PolarHBondContact N-O 3.13Å; I525-L553 PolarHBondContact O-N 3.26Å; F527-L553 HydrophobicContact CE1-CD1 3.72Å; F527-L553 HydrophobicContact CE1-CG 4.1Å; F527-L553 HydrophobicContact CZ-CD1 4.37Å; H551-L553 HydrophobicContact CB-CD2 4.41Å; L553-F555 HydrophobicContact CB-CE2 3.68Å; L553-F555 HydrophobicContact CB-CZ 4.14Å; L553-F555 HydrophobicContact CD1-CE2 4.23Å; L553-F555 HydrophobicContact CD1-CZ 4.13Å |
| 554 | S | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.4 | 170.1 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | P8 I9 T10 V523 E581 | P8-S554 CarbonylContact C-O 3.46Å; P8-S554 WeakPolarHBondContact CA-O 3.39Å; P8-S554 WeakPolarHBondContact CB-O 3.31Å; I9-S554 PolarHBondContact N-O 3.05Å; T10-S554 PolarHBondContact N-O 2.89Å; T10-S554 PolarHBondContact O-N 3.12Å; V523-S554 WeakPolarHBondContact O-CA 3.4Å; V523-S554 WeakPolarHBondContact O-CB 3.2Å; V523-S554 PolarHBondContact O-OG 3.21Å; S554-E581 WeakPolarHBondContact CB-OE1 3.4Å; S554-E581 WeakPolarHBondContact CB-OE2 3.48Å |
| 555 | F | 89.3 | Confident | 86.5 | Confident | 46 Ų | 46 | 38 Ų | 38 | 20% | 0.202 | 20% | 0.197 | C | C | . | . | trans | -111.2 | 3.7 | 177.6 | -63.3 | -83.4 | 0 | 0 | 0 | 112.6 | I6 P8 V497 I525 L553 | I6-F555 HydrophobicContact CG2-CD1 3.9Å; I6-F555 HydrophobicContact CG2-CE1 4.25Å; I6-F555 WeakPolarHBondContact O-CE1 3.37Å; P8-F555 HydrophobicContact CB-CD1 4.22Å; P8-F555 HydrophobicContact CB-CE1 3.71Å; P8-F555 HydrophobicContact CB-CE2 4.35Å; P8-F555 HydrophobicContact CB-CZ 3.76Å; P8-F555 HydrophobicContact CG-CE1 4.38Å; P8-F555 HydrophobicContact CG-CZ 4.34Å; V497-F555 HydrophobicContact CG1-CE1 3.78Å; V497-F555 HydrophobicContact CG1-CE2 3.73Å; V497-F555 HydrophobicContact CG1-CZ 3.14Å; I525-F555 HydrophobicContact CD1-CD2 3.85Å; I525-F555 HydrophobicContact CD1-CE2 3.86Å; L553-F555 HydrophobicContact CB-CE2 3.68Å; L553-F555 HydrophobicContact CB-CZ 4.14Å; L553-F555 HydrophobicContact CD1-CE2 4.23Å; L553-F555 HydrophobicContact CD1-CZ 4.13Å | ||
| 556 | W | 87.8 | Confident | 88 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 21% | 0.212 | 17% | 0.173 | C | C | . | . | trans | -70.9 | 131.8 | -173.3 | -83 | 50 | 0 | 0 | 0 | 111.5 | I9 N521 G522 V523 S560 I564 R585 | I9-W556 WeakPolarHBondContact CD1-O 3.4Å; N521-W556 WeakPolarHBondContact O-CH2 3.46Å; N521-W556 WeakPolarHBondContact O-CZ2 3.44Å; G522-W556 VanDerWaalsContact C-NE1 3.26Å; G522-W556 PolarHBondContact O-NE1 3.39Å; V523-W556 HydrophobicContact CG2-CD2 4.12Å; V523-W556 HydrophobicContact CG2-CE3 4.27Å; V523-W556 HydrophobicContact CG2-CZ2 4.49Å; W556-S560 WeakPolarHBondContact CZ3-O 3.22Å; W556-I564 HydrophobicContact CH2-CD1 3.24Å; W556-I564 HydrophobicContact CH2-CG1 4.12Å; W556-I564 HydrophobicContact CZ2-CD1 4.42Å; W556-I564 HydrophobicContact CZ3-CD1 3.45Å; W556-I564 VanDerWaalsContact CZ3-CD1 3.45Å; W556-I564 HydrophobicContact CZ3-CG1 3.86Å; W556-R585 VanDerWaalsContact O-CZ 3.25Å; W556-R585 PolarHBondContact O-NH1 3.06Å; W556-R585 PolarHBondContact O-NH2 3.04Å | ||
| 557 | S | 86.9 | Confident | 89 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 17% | 0.172 | S | C | . | . | trans | -66 | 160.6 | 168.9 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | D559 S560 L561 | S557-D559 PolarHBondContact O-N 2.74Å; S557-S560 PolarHBondContact O-N 3.24Å; S557-S560 PolarHBondContact OG-N 3.11Å; S557-S560 VanDerWaalsContact OG-N 3.14Å; S557-S560 PolarHBondContact OG-OG 2.8Å; S557-L561 WeakPolarHBondContact O-CB 3.46Å; S557-L561 PolarHBondContact O-N 3.27Å; S557-L561 VanDerWaalsContact O-N 3.11Å | ||
| 558 | N | 86.8 | Confident | 89.3 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -32.4 | 174.8 | -70 | -3 | 0 | 0 | 0 | 111.3 | L561 Q562 R585 I600 T601 L603 | N558-L561 PolarHBondContact O-N 2.85Å; N558-Q562 WeakPolarHBondContact O-CG 3.39Å; N558-Q562 PolarHBondContact O-N 2.76Å; N558-R585 PolarHBondContact OD1-NH1 2.73Å; N558-I600 WeakPolarHBondContact ND2-CG2 3.48Å; N558-T601 PolarHBondContact ND2-O 3.02Å; N558-L603 HydrophobicContact CB-CD1 4.21Å; N558-L603 HydrophobicContact CB-CD2 3.82Å; N558-L603 HydrophobicContact CB-CG 3.78Å; N558-L603 VanDerWaalsContact CG-CG 3.48Å; N558-L603 VanDerWaalsContact OD1-CD1 3.27Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.37Å |
| 559 | D | 86.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 178 | -67.2 | -27.7 | 0 | 0 | 0 | 113.3 | S557 L561 Q562 E563 | S557-D559 PolarHBondContact O-N 2.74Å; D559-L561 VanDerWaalsContact C-N 3.28Å; D559-L561 PolarHBondContact O-N 3.48Å; D559-Q562 WeakPolarHBondContact O-CG 3.08Å; D559-Q562 PolarHBondContact O-N 3.45Å; D559-Q562 PolarHBondContact OD1-NE2 2.89Å; D559-E563 PolarHBondContact O-N 2.81Å |
| 560 | S | 88.8 | Confident | 89.3 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | W556 S557 E563 I564 | W556-S560 WeakPolarHBondContact CZ3-O 3.22Å; S557-S560 PolarHBondContact O-N 3.24Å; S557-S560 PolarHBondContact OG-N 3.11Å; S557-S560 VanDerWaalsContact OG-N 3.14Å; S557-S560 PolarHBondContact OG-OG 2.8Å; S560-E563 PolarHBondContact O-N 3.3Å; S560-I564 PolarHBondContact O-N 3.42Å |
| 561 | L | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 178.8 | -173.4 | 65.7 | 0 | 0 | 0 | 111.7 | S557 N558 D559 E563 I564 I565 C578 E581 L603 | S557-L561 WeakPolarHBondContact O-CB 3.46Å; S557-L561 PolarHBondContact O-N 3.27Å; S557-L561 VanDerWaalsContact O-N 3.11Å; N558-L561 PolarHBondContact O-N 2.85Å; D559-L561 VanDerWaalsContact C-N 3.28Å; D559-L561 PolarHBondContact O-N 3.48Å; L561-E563 VanDerWaalsContact C-N 3.32Å; L561-E563 PolarHBondContact O-N 2.9Å; L561-I564 PolarHBondContact O-N 3.09Å; L561-I565 HydrophobicContact CD1-CD1 3.97Å; L561-I565 HydrophobicContact CD1-CG1 4.42Å; L561-I565 HydrophobicContact CD2-CD1 4.27Å; L561-I565 HydrophobicContact CG-CD1 3.66Å; L561-I565 HydrophobicContact CG-CG1 4.44Å; L561-I565 WeakPolarHBondContact O-CB 3.28Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.4Å; L561-I565 PolarHBondContact O-N 3.16Å; L561-C578 HydrophobicContact CD1-CB 3.98Å; L561-E581 HydrophobicContact CD1-CB 4.13Å; L561-E581 HydrophobicContact CD1-CG 4.23Å; L561-E581 HydrophobicContact CD2-CB 4.29Å; L561-E581 HydrophobicContact CD2-CG 3.87Å; L561-L603 HydrophobicContact CD2-CD1 3.84Å; L561-L603 HydrophobicContact CD2-CD2 4.28Å |
| 562 | Q | 90.2 | Very high | 89 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 178.2 | 61.8 | 167.5 | -36.2 | 0 | 0 | 112.5 | N558 D559 I564 I565 F566 I606 | N558-Q562 WeakPolarHBondContact O-CG 3.39Å; N558-Q562 PolarHBondContact O-N 2.76Å; D559-Q562 WeakPolarHBondContact O-CG 3.08Å; D559-Q562 PolarHBondContact O-N 3.45Å; D559-Q562 PolarHBondContact OD1-NE2 2.89Å; Q562-I564 VanDerWaalsContact C-N 3.34Å; Q562-I564 PolarHBondContact O-N 2.83Å; Q562-I565 PolarHBondContact O-N 3.49Å; Q562-F566 HydrophobicContact CB-CD2 4.38Å; Q562-F566 WeakPolarHBondContact O-CD2 3.45Å; Q562-F566 PolarHBondContact O-N 3.12Å; Q562-I606 HydrophobicContact CB-CG2 4.29Å; Q562-I606 VanDerWaalsContact OE1-CG2 3.29Å |
| 563 | E | 89.8 | Confident | 88.6 | Confident | 145 Ų | 145 | 45 Ų | 45 | 68% | 0.678 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.4 | -46.5 | -179.4 | -172.9 | 178.6 | 179.9 | 0 | 0 | 110.9 | D559 S560 L561 N567 | D559-E563 PolarHBondContact O-N 2.81Å; S560-E563 PolarHBondContact O-N 3.3Å; L561-E563 VanDerWaalsContact C-N 3.32Å; L561-E563 PolarHBondContact O-N 2.9Å; E563-N567 WeakPolarHBondContact O-CB 3.24Å; E563-N567 PolarHBondContact O-N 3.11Å; E563-N567 VanDerWaalsContact O-N 3.09Å |
| 564 | I | 90.5 | Very high | 88.3 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.1 | -45 | 178.1 | -63.8 | -161 | 0 | 0 | 0 | 112 | N521 W556 S560 L561 Q562 F566 N567 L570 K575 C578 | N521-I564 HydrophobicContact CB-CD1 4.24Å; W556-I564 HydrophobicContact CH2-CD1 3.24Å; W556-I564 HydrophobicContact CH2-CG1 4.12Å; W556-I564 HydrophobicContact CZ2-CD1 4.42Å; W556-I564 HydrophobicContact CZ3-CD1 3.45Å; W556-I564 VanDerWaalsContact CZ3-CD1 3.45Å; W556-I564 HydrophobicContact CZ3-CG1 3.86Å; S560-I564 PolarHBondContact O-N 3.42Å; L561-I564 PolarHBondContact O-N 3.09Å; Q562-I564 VanDerWaalsContact C-N 3.34Å; Q562-I564 PolarHBondContact O-N 2.83Å; I564-F566 PolarHBondContact O-N 2.77Å; I564-N567 WeakPolarHBondContact O-CB 3.5Å; I564-N567 PolarHBondContact O-N 3.23Å; I564-N567 VanDerWaalsContact O-N 3.15Å; I564-L570 HydrophobicContact CG2-CD1 4.49Å; I564-K575 HydrophobicContact CG2-CG 4.43Å; I564-K575 WeakPolarHBondContact O-CD 2.92Å; I564-K575 VanDerWaalsContact O-CE 3.24Å; I564-K575 WeakPolarHBondContact O-CE 3.3Å; I564-K575 PolarHBondContact O-NZ 2.55Å; I564-C578 WeakPolarHBondContact CG2-SG 3.48Å |
| 565 | I | 91.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.3 | -45.5 | -178.5 | -71.7 | 171.9 | 0 | 0 | 0 | 110.2 | L561 Q562 K575 C578 L582 I637 | L561-I565 HydrophobicContact CD1-CD1 3.97Å; L561-I565 HydrophobicContact CD1-CG1 4.42Å; L561-I565 HydrophobicContact CD2-CD1 4.27Å; L561-I565 HydrophobicContact CG-CD1 3.66Å; L561-I565 HydrophobicContact CG-CG1 4.44Å; L561-I565 WeakPolarHBondContact O-CB 3.28Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.4Å; L561-I565 PolarHBondContact O-N 3.16Å; Q562-I565 PolarHBondContact O-N 3.49Å; I565-K575 PolarHBondContact O-NZ 3.13Å; I565-C578 HydrophobicContact CD1-CB 4.47Å; I565-C578 HydrophobicContact CG1-CB 3.81Å; I565-L582 HydrophobicContact CD1-CB 3.94Å; I565-L582 HydrophobicContact CD1-CD1 4.41Å; I565-L582 HydrophobicContact CD1-CD2 4.1Å; I565-L582 HydrophobicContact CD1-CG 4.38Å; I565-I637 HydrophobicContact CG2-CG2 4.11Å; I565-I637 WeakPolarHBondContact O-CD1 3.42Å |
| 566 | F | 91.4 | Very high | 88.2 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -91.6 | 1.9 | -177.6 | -66.5 | -74.1 | 0 | 0 | 0 | 115 | Q562 I564 P568 K610 I637 Y638 I641 | Q562-F566 HydrophobicContact CB-CD2 4.38Å; Q562-F566 WeakPolarHBondContact O-CD2 3.45Å; Q562-F566 PolarHBondContact O-N 3.12Å; I564-F566 PolarHBondContact O-N 2.77Å; F566-P568 VanDerWaalsContact O-CD 3.32Å; F566-P568 WeakPolarHBondContact O-CD 3.4Å; F566-K610 HydrophobicContact CD1-CB 4.22Å; F566-K610 HydrophobicContact CD1-CG 4.37Å; F566-K610 HydrophobicContact CD2-CD 4.49Å; F566-K610 HydrophobicContact CD2-CG 4.1Å; F566-K610 HydrophobicContact CE1-CB 3.64Å; F566-K610 HydrophobicContact CE1-CG 4.09Å; F566-K610 HydrophobicContact CE2-CB 4.16Å; F566-K610 HydrophobicContact CE2-CG 3.81Å; F566-K610 HydrophobicContact CG-CD 4.48Å; F566-K610 HydrophobicContact CG-CG 4.37Å; F566-K610 HydrophobicContact CZ-CB 3.61Å; F566-K610 HydrophobicContact CZ-CG 3.8Å; F566-I637 HydrophobicContact CD1-CG2 4.21Å; F566-I637 HydrophobicContact CE1-CG2 3.98Å; F566-Y638 HydrophobicContact CE1-CE1 4.27Å; F566-I641 HydrophobicContact CE1-CD1 3.84Å; F566-I641 HydrophobicContact CZ-CD1 3.73Å |
| 567 | N | 90.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | trans | -62.2 | 114.7 | 174.8 | -178 | -16.9 | 0 | 0 | 0 | 111.6 | E563 I564 E569 K575 | E563-N567 WeakPolarHBondContact O-CB 3.24Å; E563-N567 PolarHBondContact O-N 3.11Å; E563-N567 VanDerWaalsContact O-N 3.09Å; I564-N567 WeakPolarHBondContact O-CB 3.5Å; I564-N567 PolarHBondContact O-N 3.23Å; I564-N567 VanDerWaalsContact O-N 3.15Å; N567-E569 PolarHBondContact O-N 2.81Å; N567-E569 VanDerWaalsContact OD1-CB 3.3Å; N567-E569 WeakPolarHBondContact OD1-CB 3.17Å; N567-E569 WeakPolarHBondContact OD1-CG 3.46Å; N567-E569 PolarHBondContact OD1-N 2.85Å; N567-K575 PolarHBondContact O-NZ 2.99Å | ||
| 568 | P | 84.3 | Confident | 88.7 | Confident | 68 Ų | 68 | 43.4 Ų | 43.4 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.3 | -176.5 | 30.5 | -35.9 | 0 | 0 | 0 | 114.4 | F566 P631 K633 | F566-P568 VanDerWaalsContact O-CD 3.32Å; F566-P568 WeakPolarHBondContact O-CD 3.4Å; P568-P631 HydrophobicContact CB-CG 4.33Å; P568-K633 WeakPolarHBondContact O-CD 3.39Å |
| 569 | E | 85.7 | Confident | 88.9 | Confident | 151 Ų | 151 | 42.5 Ų | 42.5 | 71% | 0.706 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -37 | -176.4 | -59.8 | -174.6 | 165 | 0 | 0 | 112 | N567 K633 | N567-E569 PolarHBondContact O-N 2.81Å; N567-E569 VanDerWaalsContact OD1-CB 3.3Å; N567-E569 WeakPolarHBondContact OD1-CB 3.17Å; N567-E569 WeakPolarHBondContact OD1-CG 3.46Å; N567-E569 PolarHBondContact OD1-N 2.85Å; E569-K633 PolarHBondContact O-NZ 3.49Å |
| 570 | L | 85.5 | Confident | 89.1 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 29% | 0.288 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -87.1 | 129.5 | -178.5 | -69.7 | 174.1 | 0 | 0 | 0 | 111.7 | I564 R574 K575 | I564-L570 HydrophobicContact CG2-CD1 4.49Å; L570-R574 HydrophobicContact CD2-CB 4.48Å; L570-K575 VanDerWaalsContact CB-CE 3.4Å; L570-K575 HydrophobicContact CB-CG 4.36Å; L570-K575 WeakPolarHBondContact O-CE 3.27Å |
| 571 | P | 87.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | trans | -68.2 | 163.4 | 171.6 | 26.5 | -29.7 | 0 | 0 | 0 | 112.3 | N573 R574 D870 | P571-N573 WeakPolarHBondContact CG-OD1 3.09Å; P571-N573 PolarHBondContact O-N 2.65Å; P571-R574 HydrophobicContact CG-CB 4.21Å; P571-R574 HydrophobicContact CG-CG 3.62Å; P571-R574 WeakPolarHBondContact O-CB 3.47Å; P571-R574 PolarHBondContact O-N 2.68Å; P571-D870 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 572 | L | 88.5 | Confident | 89.2 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -68.8 | -35.6 | -172.2 | -159.3 | 64.6 | 0 | 0 | 0 | 112.1 | R574 K575 L579 I637 C869 D870 | L572-R574 PolarHBondContact O-N 2.84Å; L572-K575 PolarHBondContact O-N 2.58Å; L572-L579 HydrophobicContact CD1-CD1 3.44Å; L572-L579 VanDerWaalsContact CD1-CD1 3.44Å; L572-L579 HydrophobicContact CD1-CD2 3.97Å; L572-L579 HydrophobicContact CD1-CG 4.11Å; L572-L579 HydrophobicContact CD2-CD1 3.95Å; L572-L579 HydrophobicContact CG-CD1 3.49Å; L572-L579 VanDerWaalsContact CG-CD1 3.49Å; L572-I637 HydrophobicContact CD1-CG1 3.64Å; L572-C869 WeakPolarHBondContact CD2-O 3.31Å; L572-D870 HydrophobicContact CB-CB 3.94Å; L572-D870 PolarHBondContact N-OD2 2.8Å |
| 573 | N | 84.9 | Confident | 89.1 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -63.9 | -7.3 | 172.9 | 61.5 | 11.8 | 0 | 0 | 0 | 114.6 | P571 D870 | P571-N573 WeakPolarHBondContact CG-OD1 3.09Å; P571-N573 PolarHBondContact O-N 2.65Å; N573-D870 VanDerWaalsContact CB-O 3.27Å; N573-D870 WeakPolarHBondContact CB-O 3.47Å; N573-D870 PolarHBondContact N-O 3.35Å |
| 574 | R | 85.8 | Confident | 88.9 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 35% | 0.347 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -100.6 | 3.1 | 172.4 | -65.8 | -70.2 | -175.3 | 154.4 | 4.5 | 112.6 | R130 N521 L570 P571 L572 | R130-R574 VanDerWaalsContact CZ-CZ 3.5Å; N521-R574 PolarHBondContact ND2-O 2.63Å; L570-R574 HydrophobicContact CD2-CB 4.48Å; P571-R574 HydrophobicContact CG-CB 4.21Å; P571-R574 HydrophobicContact CG-CG 3.62Å; P571-R574 WeakPolarHBondContact O-CB 3.47Å; P571-R574 PolarHBondContact O-N 2.68Å; L572-R574 PolarHBondContact O-N 2.84Å |
| 575 | K | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -125.3 | 18.6 | -177.5 | -56 | -177.5 | -172.9 | -168.8 | 0 | 112.6 | I564 I565 N567 L570 L572 D577 C578 L579 | I564-K575 HydrophobicContact CG2-CG 4.43Å; I564-K575 WeakPolarHBondContact O-CD 2.92Å; I564-K575 VanDerWaalsContact O-CE 3.24Å; I564-K575 WeakPolarHBondContact O-CE 3.3Å; I564-K575 PolarHBondContact O-NZ 2.55Å; I565-K575 PolarHBondContact O-NZ 3.13Å; N567-K575 PolarHBondContact O-NZ 2.99Å; L570-K575 VanDerWaalsContact CB-CE 3.4Å; L570-K575 HydrophobicContact CB-CG 4.36Å; L570-K575 WeakPolarHBondContact O-CE 3.27Å; L572-K575 PolarHBondContact O-N 2.58Å; K575-D577 VanDerWaalsContact C-N 3.26Å; K575-D577 PolarHBondContact O-N 3.01Å; K575-C578 HydrophobicContact CB-CB 4.32Å; K575-C578 WeakPolarHBondContact O-CB 3Å; K575-C578 PolarHBondContact O-N 2.88Å; K575-C578 VanDerWaalsContact O-N 3.07Å; K575-L579 WeakPolarHBondContact O-CG 3.4Å; K575-L579 PolarHBondContact O-N 2.78Å | ||
| 576 | V | 89.3 | Confident | 88.3 | Confident | 28 Ų | 28 | 29.6 Ų | 29.6 | 17% | 0.17 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | -171.4 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | F47 L49 L579 Q580 L871 | F47-V576 HydrophobicContact CB-CG1 3.81Å; L49-V576 HydrophobicContact CD1-CG1 4.23Å; L49-V576 HydrophobicContact CD2-CG1 4.25Å; L49-V576 HydrophobicContact CG-CG1 4.18Å; V576-L579 PolarHBondContact O-N 2.9Å; V576-Q580 WeakPolarHBondContact O-CB 3.4Å; V576-Q580 PolarHBondContact O-N 3.26Å; V576-L871 HydrophobicContact CG2-CD2 4.34Å |
| 577 | D | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 173.4 | 60 | -13.2 | 0 | 0 | 0 | 112.7 | F47 S519 N521 V523 Y524 K575 Q580 E581 | F47-D577 HydrophobicContact CD2-CB 4.28Å; F47-D577 HydrophobicContact CE2-CB 3.89Å; F47-D577 HydrophobicContact CZ-CB 4.46Å; S519-D577 WeakPolarHBondContact CB-OD2 3.14Å; S519-D577 PolarHBondContact OG-OD2 3.26Å; N521-D577 WeakPolarHBondContact CB-OD2 3.49Å; N521-D577 PolarHBondContact N-OD2 2.99Å; N521-D577 PolarHBondContact ND2-OD1 2.73Å; V523-D577 HydrophobicContact CB-CB 4.19Å; V523-D577 HydrophobicContact CG2-CB 4.49Å; Y524-D577 HydrophobicContact CD2-CB 3.99Å; Y524-D577 HydrophobicContact CE2-CB 4.34Å; Y524-D577 WeakPolarHBondContact CE2-O 3.05Å; K575-D577 VanDerWaalsContact C-N 3.26Å; K575-D577 PolarHBondContact O-N 3.01Å; D577-Q580 WeakPolarHBondContact O-CB 3.39Å; D577-Q580 PolarHBondContact O-N 3.08Å; D577-E581 PolarHBondContact O-N 3.47Å |
| 578 | C | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | V523 L561 I564 I565 K575 Q580 E581 L582 | V523-C578 HydrophobicContact CG2-CB 4.44Å; V523-C578 WeakPolarHBondContact CG2-SG 3.3Å; L561-C578 HydrophobicContact CD1-CB 3.98Å; I564-C578 WeakPolarHBondContact CG2-SG 3.48Å; I565-C578 HydrophobicContact CD1-CB 4.47Å; I565-C578 HydrophobicContact CG1-CB 3.81Å; K575-C578 HydrophobicContact CB-CB 4.32Å; K575-C578 WeakPolarHBondContact O-CB 3Å; K575-C578 PolarHBondContact O-N 2.88Å; K575-C578 VanDerWaalsContact O-N 3.07Å; C578-Q580 VanDerWaalsContact C-N 3.28Å; C578-Q580 PolarHBondContact O-N 3.03Å; C578-E581 PolarHBondContact O-N 3.18Å; C578-L582 PolarHBondContact O-N 3.06Å |
| 579 | L | 92 | Very high | 84.8 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 176.3 | -65.8 | 177.7 | 0 | 0 | 0 | 111.4 | L49 L572 K575 V576 L582 I583 F640 | L49-L579 HydrophobicContact CD1-CD1 4.21Å; L49-L579 HydrophobicContact CD2-CB 3.74Å; L572-L579 HydrophobicContact CD1-CD1 3.44Å; L572-L579 VanDerWaalsContact CD1-CD1 3.44Å; L572-L579 HydrophobicContact CD1-CD2 3.97Å; L572-L579 HydrophobicContact CD1-CG 4.11Å; L572-L579 HydrophobicContact CD2-CD1 3.95Å; L572-L579 HydrophobicContact CG-CD1 3.49Å; L572-L579 VanDerWaalsContact CG-CD1 3.49Å; K575-L579 WeakPolarHBondContact O-CG 3.4Å; K575-L579 PolarHBondContact O-N 2.78Å; V576-L579 PolarHBondContact O-N 2.9Å; L579-L582 WeakPolarHBondContact O-CB 3.42Å; L579-L582 PolarHBondContact O-N 3.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.34Å; L579-I583 PolarHBondContact O-N 2.91Å; L579-F640 HydrophobicContact CB-CE1 4.11Å; L579-F640 HydrophobicContact CB-CE2 4.25Å; L579-F640 HydrophobicContact CB-CZ 3.75Å; L579-F640 HydrophobicContact CD1-CD2 4.26Å; L579-F640 HydrophobicContact CD1-CE2 4.17Å; L579-F640 HydrophobicContact CD1-CZ 4.4Å; L579-F640 HydrophobicContact CD2-CD1 3.79Å; L579-F640 HydrophobicContact CD2-CE1 3.76Å; L579-F640 HydrophobicContact CD2-CG 4.24Å; L579-F640 HydrophobicContact CD2-CZ 4.18Å; L579-F640 HydrophobicContact CG-CE1 4.38Å; L579-F640 HydrophobicContact CG-CZ 4.31Å |
| 580 | Q | 90.2 | Very high | 83 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.2 | -172.4 | 62.6 | 16.2 | 0 | 0 | 111.3 | F47 S48 L49 I59 Y524 V576 D577 C578 L582 I583 Q584 | F47-Q580 HydrophobicContact CD1-CB 4.36Å; F47-Q580 HydrophobicContact CD1-CG 3.96Å; S48-Q580 PolarHBondContact O-NE2 2.95Å; S48-Q580 PolarHBondContact O-OE1 2.67Å; L49-Q580 HydrophobicContact CD2-CB 4.42Å; I59-Q580 HydrophobicContact CG1-CG 4Å; I59-Q580 PolarHBondContact O-NE2 3.43Å; Y524-Q580 HydrophobicContact CE2-CB 4.25Å; Y524-Q580 HydrophobicContact CE2-CG 4.41Å; V576-Q580 WeakPolarHBondContact O-CB 3.4Å; V576-Q580 PolarHBondContact O-N 3.26Å; D577-Q580 WeakPolarHBondContact O-CB 3.39Å; D577-Q580 PolarHBondContact O-N 3.08Å; C578-Q580 VanDerWaalsContact C-N 3.28Å; C578-Q580 PolarHBondContact O-N 3.03Å; Q580-L582 VanDerWaalsContact C-N 3.3Å; Q580-L582 PolarHBondContact O-N 3.44Å; Q580-I583 PolarHBondContact O-N 2.73Å; Q580-Q584 WeakPolarHBondContact O-CG 3.48Å; Q580-Q584 PolarHBondContact O-N 3Å |
| 581 | E | 90.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 174.7 | -172.1 | 64.4 | -167.6 | 0 | 0 | 111.7 | T10 V523 Y524 S554 L561 D577 C578 I583 Q584 R585 | T10-E581 WeakPolarHBondContact CB-OE1 3.35Å; T10-E581 PolarHBondContact OG1-OE1 3.18Å; V523-E581 HydrophobicContact CG1-CB 3.74Å; V523-E581 HydrophobicContact CG1-CG 4.04Å; Y524-E581 WeakPolarHBondContact CE1-OE2 3.42Å; Y524-E581 HydrophobicContact CE2-CB 4.25Å; Y524-E581 VanDerWaalsContact OH-CA 3.28Å; Y524-E581 WeakPolarHBondContact OH-CA 3.39Å; Y524-E581 PolarHBondContact OH-N 2.74Å; Y524-E581 PolarHBondContact OH-OE2 2.71Å; S554-E581 WeakPolarHBondContact CB-OE1 3.4Å; S554-E581 WeakPolarHBondContact CB-OE2 3.48Å; L561-E581 HydrophobicContact CD1-CB 4.13Å; L561-E581 HydrophobicContact CD1-CG 4.23Å; L561-E581 HydrophobicContact CD2-CB 4.29Å; L561-E581 HydrophobicContact CD2-CG 3.87Å; D577-E581 PolarHBondContact O-N 3.47Å; C578-E581 PolarHBondContact O-N 3.18Å; E581-I583 PolarHBondContact O-N 2.8Å; E581-Q584 PolarHBondContact O-N 3.36Å; E581-R585 WeakPolarHBondContact O-CG 3.38Å; E581-R585 PolarHBondContact O-N 3.04Å; E581-R585 IonicContact OE1-CZ 3.41Å; E581-R585 IonicContact OE1-NE 3.29Å; E581-R585 PolarHBondContact OE1-NE 2.89Å; E581-R585 IonicContact OE1-NH2 3.06Å; E581-R585 PolarHBondContact OE1-NH2 3.38Å |
| 582 | L | 90.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 172.8 | -177.7 | 62.5 | 0 | 0 | 0 | 111.3 | I565 C578 L579 Q580 Q584 R585 W586 L603 F640 M644 | I565-L582 HydrophobicContact CD1-CB 3.94Å; I565-L582 HydrophobicContact CD1-CD1 4.41Å; I565-L582 HydrophobicContact CD1-CD2 4.1Å; I565-L582 HydrophobicContact CD1-CG 4.38Å; C578-L582 PolarHBondContact O-N 3.06Å; L579-L582 WeakPolarHBondContact O-CB 3.42Å; L579-L582 PolarHBondContact O-N 3.4Å; Q580-L582 VanDerWaalsContact C-N 3.3Å; Q580-L582 PolarHBondContact O-N 3.44Å; L582-Q584 PolarHBondContact O-N 2.87Å; L582-R585 PolarHBondContact O-N 3.23Å; L582-W586 HydrophobicContact CD1-CE3 3.86Å; L582-W586 HydrophobicContact CD1-CZ3 4.05Å; L582-W586 HydrophobicContact CD2-CZ3 4.38Å; L582-W586 HydrophobicContact CG-CE3 3.99Å; L582-W586 HydrophobicContact CG-CZ3 4.28Å; L582-W586 WeakPolarHBondContact O-CB 3.16Å; L582-W586 PolarHBondContact O-N 2.51Å; L582-L603 HydrophobicContact CD1-CB 4.34Å; L582-F640 HydrophobicContact CD2-CE1 4.25Å; L582-M644 HydrophobicContact CD2-CE 3.51Å; L582-M644 HydrophobicContact CD2-SD 4.42Å; L582-M644 HydrophobicContact CG-CE 3.94Å; L582-M644 HydrophobicContact CG-SD 4.37Å |
| 583 | I | 88.8 | Confident | 76.6 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.7 | -67.4 | 165.3 | 0 | 0 | 0 | 111 | L49 L579 Q580 E581 R585 W586 F640 M644 | L49-I583 HydrophobicContact CD2-CD1 4.11Å; L579-I583 WeakPolarHBondContact O-CG1 3.34Å; L579-I583 PolarHBondContact O-N 2.91Å; Q580-I583 PolarHBondContact O-N 2.73Å; E581-I583 PolarHBondContact O-N 2.8Å; I583-R585 VanDerWaalsContact C-N 3.27Å; I583-R585 PolarHBondContact O-N 2.95Å; I583-W586 WeakPolarHBondContact O-CB 3.49Å; I583-W586 PolarHBondContact O-N 3.46Å; I583-F640 HydrophobicContact CD1-CE2 4.35Å; I583-F640 HydrophobicContact CD1-CZ 3.69Å; I583-F640 HydrophobicContact CG1-CE1 4.42Å; I583-F640 HydrophobicContact CG1-CZ 3.89Å; I583-M644 HydrophobicContact CG1-SD 3.96Å |
| 584 | Q | 85.4 | Confident | 74.4 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 179.5 | -68.1 | -55.7 | -56 | 0 | 0 | 112 | T10 P56 Q580 E581 L582 | T10-Q584 HydrophobicContact CG2-CB 4.02Å; T10-Q584 HydrophobicContact CG2-CG 4.22Å; P56-Q584 VanDerWaalsContact O-CD 3.28Å; P56-Q584 PolarHBondContact O-NE2 2.87Å; P56-Q584 PolarHBondContact O-OE1 3.2Å; Q580-Q584 WeakPolarHBondContact O-CG 3.48Å; Q580-Q584 PolarHBondContact O-N 3Å; E581-Q584 PolarHBondContact O-N 3.36Å; L582-Q584 PolarHBondContact O-N 2.87Å |
| 585 | R | 86.2 | Confident | 72.4 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -88.3 | -11.2 | -178.6 | -60 | -170.4 | -173.2 | 179.4 | 9.6 | 114.3 | W556 N558 E581 L582 I583 H587 L588 L603 | W556-R585 VanDerWaalsContact O-CZ 3.25Å; W556-R585 PolarHBondContact O-NH1 3.06Å; W556-R585 PolarHBondContact O-NH2 3.04Å; N558-R585 PolarHBondContact OD1-NH1 2.73Å; E581-R585 WeakPolarHBondContact O-CG 3.38Å; E581-R585 PolarHBondContact O-N 3.04Å; E581-R585 IonicContact OE1-CZ 3.41Å; E581-R585 IonicContact OE1-NE 3.29Å; E581-R585 PolarHBondContact OE1-NE 2.89Å; E581-R585 IonicContact OE1-NH2 3.06Å; E581-R585 PolarHBondContact OE1-NH2 3.38Å; L582-R585 PolarHBondContact O-N 3.23Å; I583-R585 VanDerWaalsContact C-N 3.27Å; I583-R585 PolarHBondContact O-N 2.95Å; R585-H587 PolarHBondContact O-N 3.25Å; R585-L588 HydrophobicContact CB-CD1 3.94Å; R585-L588 HydrophobicContact CG-CD1 3.73Å; R585-L588 PolarHBondContact O-N 3.22Å; R585-L603 HydrophobicContact CB-CD1 3.83Å; R585-L603 HydrophobicContact CG-CD1 4.33Å |
| 586 | W | 83 | Confident | 70 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.3 | -174.8 | -163.6 | -99.9 | 0 | 0 | 0 | 113.9 | L582 I583 R604 C607 I641 M644 L645 | L582-W586 HydrophobicContact CD1-CE3 3.86Å; L582-W586 HydrophobicContact CD1-CZ3 4.05Å; L582-W586 HydrophobicContact CD2-CZ3 4.38Å; L582-W586 HydrophobicContact CG-CE3 3.99Å; L582-W586 HydrophobicContact CG-CZ3 4.28Å; L582-W586 WeakPolarHBondContact O-CB 3.16Å; L582-W586 PolarHBondContact O-N 2.51Å; I583-W586 WeakPolarHBondContact O-CB 3.49Å; I583-W586 PolarHBondContact O-N 3.46Å; W586-R604 HydrophobicContact CH2-CG 4.21Å; W586-R604 HydrophobicContact CZ2-CG 4.06Å; W586-C607 HydrophobicContact CH2-CB 4.02Å; W586-C607 HydrophobicContact CZ3-CB 3.96Å; W586-I641 HydrophobicContact CH2-CG2 4.05Å; W586-M644 HydrophobicContact CD2-CB 4.26Å; W586-M644 HydrophobicContact CD2-CE 3.91Å; W586-M644 HydrophobicContact CD2-SD 3.81Å; W586-M644 HydrophobicContact CE3-CE 3.41Å; W586-M644 VanDerWaalsContact CE3-CE 3.41Å; W586-M644 HydrophobicContact CE3-SD 3.79Å; W586-M644 HydrophobicContact CG-SD 4.22Å; W586-M644 HydrophobicContact CH2-CE 3.61Å; W586-M644 HydrophobicContact CZ2-CB 3.92Å; W586-M644 HydrophobicContact CZ2-CE 4.07Å; W586-M644 HydrophobicContact CZ3-CE 3.25Å; W586-M644 HydrophobicContact CZ3-SD 4.25Å; W586-L645 HydrophobicContact CZ2-CD2 3.81Å; W586-L645 HydrophobicContact CZ2-CG 4.19Å |
| 587 | H | 72.5 | Confident | 67.6 | Low | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 18.5 | -179.1 | -62.5 | -59.4 | 0 | 0 | 0 | 113.1 | R585 P589 | R585-H587 PolarHBondContact O-N 3.25Å; H587-P589 VanDerWaalsContact O-CD 3.29Å; H587-P589 WeakPolarHBondContact O-CD 3.21Å |
| 588 | L | 66.1 | Low | 65.3 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | trans | -60.1 | 123.5 | 173.7 | -88.7 | 166.8 | 0 | 0 | 0 | 108.3 | R585 D590 | R585-L588 HydrophobicContact CB-CD1 3.94Å; R585-L588 HydrophobicContact CG-CD1 3.73Å; R585-L588 PolarHBondContact O-N 3.22Å; L588-D590 PolarHBondContact O-N 3.02Å | ||
| 589 | P | 52.9 | Low | 62.9 | Low | 86 Ų | 86 | 77 Ų | 77 | 56% | 0.558 | 42% | 0.422 | S | S | * | . | trans | -61.3 | 138 | 171.7 | -17.2 | 29.4 | 0 | 0 | 0 | 109.3 | H587 D591 K592 | H587-P589 VanDerWaalsContact O-CD 3.29Å; H587-P589 WeakPolarHBondContact O-CD 3.21Å; P589-D591 HydrophobicContact CB-CB 4.37Å; P589-D591 PolarHBondContact O-N 3.23Å; P589-K592 PolarHBondContact O-N 2.85Å | ||
| 590 | D | 48.5 | Very low | 60.9 | Low | 136 Ų | 136 | 81.6 Ų | 81.6 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -54.9 | -16.7 | 171.1 | -76.3 | -34.2 | 0 | 0 | 0 | 112.4 | L588 K592 A593 | L588-D590 PolarHBondContact O-N 3.02Å; D590-K592 PolarHBondContact O-N 2.91Å; D590-A593 WeakPolarHBondContact O-CA 3.44Å; D590-A593 WeakPolarHBondContact O-CB 3.21Å; D590-A593 PolarHBondContact O-N 3.13Å |
| 591 | D | 41.4 | Very low | 59.4 | Low | 139 Ų | 139 | 84.2 Ų | 84.2 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -63.5 | -12.3 | -180 | -69.6 | -18.2 | 0 | 0 | 0 | 115.3 | P589 A593 | P589-D591 HydrophobicContact CB-CB 4.37Å; P589-D591 PolarHBondContact O-N 3.23Å; D591-A593 VanDerWaalsContact C-N 3.35Å |
| 592 | K | 44.1 | Very low | 58.8 | Low | 170 Ų | 170 | 87.8 Ų | 87.8 | 74% | 0.739 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -87.1 | -2.2 | 166.9 | -81.3 | -167.4 | 176.9 | -174.8 | 0 | 113.8 | P589 D590 D594 | P589-K592 PolarHBondContact O-N 2.85Å; D590-K592 PolarHBondContact O-N 2.91Å; K592-D594 VanDerWaalsContact C-N 3.3Å |
| 593 | A | 40.7 | Very low | 58.4 | Low | 40 Ų | 40 | 88.1 Ų | 88.1 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -74 | -18.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D590 D591 N595 L596 | D590-A593 WeakPolarHBondContact O-CA 3.44Å; D590-A593 WeakPolarHBondContact O-CB 3.21Å; D590-A593 PolarHBondContact O-N 3.13Å; D591-A593 VanDerWaalsContact C-N 3.35Å; A593-N595 PolarHBondContact O-N 3.3Å; A593-L596 PolarHBondContact O-N 2.99Å; A593-L596 VanDerWaalsContact O-N 3.1Å |
| 594 | D | 40.1 | Very low | 58.3 | Low | 147 Ų | 147 | 89.8 Ų | 89.8 | 79% | 0.786 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -60.7 | -19.8 | -177.4 | -83.8 | -8 | 0 | 0 | 0 | 114.2 | K592 | K592-D594 VanDerWaalsContact C-N 3.3Š|
| 595 | N | 42.7 | Very low | 58.3 | Low | 159 Ų | 159 | 92.1 Ų | 92.1 | 85% | 0.85 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -109.4 | 4.9 | 178 | -77.8 | -32.6 | 0 | 0 | 0 | 115.2 | A593 | A593-N595 PolarHBondContact O-N 3.3Š|
| 596 | L | 39.9 | Very low | 58.4 | Low | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -135.9 | 93.1 | 177.9 | -83.9 | 133.9 | 0 | 0 | 0 | 110.2 | A593 S598 I600 | A593-L596 PolarHBondContact O-N 2.99Å; A593-L596 VanDerWaalsContact O-N 3.1Å; L596-S598 PolarHBondContact O-N 3.06Å; L596-I600 HydrophobicContact CB-CD1 4.19Å |
| 597 | S | 39.6 | Very low | 58.7 | Low | 98 Ų | 98 | 91.4 Ų | 91.4 | 69% | 0.685 | 50% | 0.497 | S | S | * | . | trans | 13 | 97 | 161.3 | 60.3 | 0 | 0 | 0 | 0 | 116.8 | N599 | S597-N599 PolarHBondContact O-N 3.38Š| ||
| 598 | S | 43.2 | Very low | 59.5 | Low | 120 Ų | 120 | 85.5 Ų | 85.5 | 84% | 0.839 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 19 | 20.8 | 144.8 | 72.4 | 0 | 0 | 0 | 0 | 123.3 | L596 | L596-S598 PolarHBondContact O-N 3.06Š|
| 599 | N | 41.5 | Very low | 60.6 | Low | 149 Ų | 149 | 87.5 Ų | 87.5 | 80% | 0.797 | 48% | 0.477 | S | S | * | . | trans | -149 | 24.3 | -175.5 | -102.3 | -2.9 | 0 | 0 | 0 | 112.8 | S597 T601 | S597-N599 PolarHBondContact O-N 3.38Å; N599-T601 PolarHBondContact O-N 3Å | ||
| 600 | I | 50 | Low | 62.3 | Low | 98 Ų | 98 | 88.1 Ų | 88.1 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | trans | -75.4 | 100.1 | 172.8 | -58 | 177.9 | 0 | 0 | 0 | 107.2 | N558 L596 D602 | N558-I600 WeakPolarHBondContact ND2-CG2 3.48Å; L596-I600 HydrophobicContact CB-CD1 4.19Å; I600-D602 PolarHBondContact O-N 3.34Å | ||
| 601 | T | 60 | Low | 64.2 | Low | 57 Ų | 57 | 81.6 Ų | 81.6 | 35% | 0.35 | 44% | 0.436 | S | S | . | . | trans | -49.8 | 121.1 | 164.3 | 24.1 | 0 | 0 | 0 | 0 | 109.5 | N558 N599 L603 I606 | N558-T601 PolarHBondContact ND2-O 3.02Å; N599-T601 PolarHBondContact O-N 3Å; T601-L603 PolarHBondContact O-N 2.7Å; T601-L603 VanDerWaalsContact O-N 3.1Å; T601-I606 HydrophobicContact CG2-CD1 3.98Å | ||
| 602 | D | 77.1 | Confident | 66.3 | Low | 76 Ų | 76 | 77.4 Ų | 77.4 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | trans | -63.9 | 113.3 | 173.6 | 175.3 | 11.8 | 0 | 0 | 0 | 109 | I600 R604 Q605 I606 | I600-D602 PolarHBondContact O-N 3.34Å; D602-R604 PolarHBondContact O-N 2.98Å; D602-R604 VanDerWaalsContact OD1-CB 3.32Å; D602-R604 WeakPolarHBondContact OD1-CB 3.47Å; D602-R604 PolarHBondContact OD1-N 2.85Å; D602-Q605 HydrophobicContact CB-CB 3.81Å; D602-Q605 PolarHBondContact O-N 2.96Å; D602-Q605 PolarHBondContact OD2-N 3.02Å; D602-I606 PolarHBondContact O-N 3.2Å | ||
| 603 | L | 83.5 | Confident | 68.2 | Low | 7 Ų | 7 | 69.7 Ų | 69.7 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.7 | -36 | 178.2 | -83.2 | 166.8 | 0 | 0 | 0 | 111.8 | N558 L561 L582 R585 T601 I606 C607 | N558-L603 HydrophobicContact CB-CD1 4.21Å; N558-L603 HydrophobicContact CB-CD2 3.82Å; N558-L603 HydrophobicContact CB-CG 3.78Å; N558-L603 VanDerWaalsContact CG-CG 3.48Å; N558-L603 VanDerWaalsContact OD1-CD1 3.27Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.37Å; L561-L603 HydrophobicContact CD2-CD1 3.84Å; L561-L603 HydrophobicContact CD2-CD2 4.28Å; L582-L603 HydrophobicContact CD1-CB 4.34Å; R585-L603 HydrophobicContact CB-CD1 3.83Å; R585-L603 HydrophobicContact CG-CD1 4.33Å; T601-L603 PolarHBondContact O-N 2.7Å; T601-L603 VanDerWaalsContact O-N 3.1Å; L603-I606 PolarHBondContact O-N 2.65Å; L603-C607 PolarHBondContact O-N 2.88Å; L603-C607 PolarHBondContact O-SG 3.18Å; L603-C607 VanDerWaalsContact O-SG 3.36Å |
| 604 | R | 86.6 | Confident | 70.1 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 177.5 | 179.3 | 173.4 | 172.5 | -104.2 | 4.8 | 109.6 | W586 D602 I606 C607 L608 D648 | W586-R604 HydrophobicContact CH2-CG 4.21Å; W586-R604 HydrophobicContact CZ2-CG 4.06Å; D602-R604 PolarHBondContact O-N 2.98Å; D602-R604 VanDerWaalsContact OD1-CB 3.32Å; D602-R604 WeakPolarHBondContact OD1-CB 3.47Å; D602-R604 PolarHBondContact OD1-N 2.85Å; R604-I606 PolarHBondContact O-N 2.78Å; R604-C607 WeakPolarHBondContact O-CB 3.38Å; R604-C607 PolarHBondContact O-N 2.77Å; R604-C607 VanDerWaalsContact O-N 3.15Å; R604-L608 HydrophobicContact CG-CD1 4.39Å; R604-L608 WeakPolarHBondContact O-CG 3.32Å; R604-L608 PolarHBondContact O-N 3.42Å; R604-D648 IonicContact CZ-OD2 3.27Å; R604-D648 IonicContact NE-OD2 2.7Å; R604-D648 PolarHBondContact NE-OD2 3.1Å; R604-D648 IonicContact NH2-OD1 3.56Å; R604-D648 PolarHBondContact NH2-OD1 2.76Å; R604-D648 IonicContact NH2-OD2 2.78Å; R604-D648 PolarHBondContact NH2-OD2 3.05Å |
| 605 | Q | 85.8 | Confident | 72 | Confident | 71 Ų | 71 | 72 Ų | 72 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 176.1 | -174.1 | 57.7 | 26.8 | 0 | 0 | 112.4 | D602 C607 L608 E609 | D602-Q605 HydrophobicContact CB-CB 3.81Å; D602-Q605 PolarHBondContact O-N 2.96Å; D602-Q605 PolarHBondContact OD2-N 3.02Å; Q605-C607 VanDerWaalsContact C-N 3.31Å; Q605-C607 PolarHBondContact O-N 2.84Å; Q605-L608 WeakPolarHBondContact O-CB 3.28Å; Q605-L608 PolarHBondContact O-N 3.03Å; Q605-L608 VanDerWaalsContact O-N 3.16Å; Q605-E609 PolarHBondContact NE2-OE1 3.43Å; Q605-E609 WeakPolarHBondContact O-CG 3.43Å; Q605-E609 PolarHBondContact O-N 3.48Å |
| 606 | I | 86.7 | Confident | 73.7 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.1 | -70.4 | 168.9 | 0 | 0 | 0 | 110.8 | Q562 T601 D602 L603 R604 L608 E609 K610 | Q562-I606 HydrophobicContact CB-CG2 4.29Å; Q562-I606 VanDerWaalsContact OE1-CG2 3.29Å; T601-I606 HydrophobicContact CG2-CD1 3.98Å; D602-I606 PolarHBondContact O-N 3.2Å; L603-I606 PolarHBondContact O-N 2.65Å; R604-I606 PolarHBondContact O-N 2.78Å; I606-L608 VanDerWaalsContact C-N 3.33Å; I606-L608 PolarHBondContact O-N 2.83Å; I606-E609 PolarHBondContact O-N 3.16Å; I606-K610 HydrophobicContact CG2-CG 4.18Å; I606-K610 WeakPolarHBondContact O-CB 3.5Å; I606-K610 VanDerWaalsContact O-CG 3.25Å; I606-K610 WeakPolarHBondContact O-CG 3.47Å; I606-K610 PolarHBondContact O-N 3.21Å |
| 607 | C | 90.4 | Very high | 75.4 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.9 | -75 | 0 | 0 | 0 | 0 | 111.9 | W586 L603 R604 Q605 E609 K610 I611 I641 | W586-C607 HydrophobicContact CH2-CB 4.02Å; W586-C607 HydrophobicContact CZ3-CB 3.96Å; L603-C607 PolarHBondContact O-N 2.88Å; L603-C607 PolarHBondContact O-SG 3.18Å; L603-C607 VanDerWaalsContact O-SG 3.36Å; R604-C607 WeakPolarHBondContact O-CB 3.38Å; R604-C607 PolarHBondContact O-N 2.77Å; R604-C607 VanDerWaalsContact O-N 3.15Å; Q605-C607 VanDerWaalsContact C-N 3.31Å; Q605-C607 PolarHBondContact O-N 2.84Å; C607-E609 VanDerWaalsContact C-N 3.34Å; C607-K610 PolarHBondContact O-N 2.82Å; C607-I611 WeakPolarHBondContact O-CG1 3.23Å; C607-I611 WeakPolarHBondContact O-CG2 3.1Å; C607-I611 PolarHBondContact O-N 2.6Å; C607-I641 HydrophobicContact CB-CD1 4.15Å; C607-I641 HydrophobicContact CB-CG2 4.29Å |
| 608 | L | 88.6 | Confident | 77.1 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.1 | -68.9 | 175 | 0 | 0 | 0 | 112.2 | R604 Q605 I606 I611 D612 F613 L645 | R604-L608 HydrophobicContact CG-CD1 4.39Å; R604-L608 WeakPolarHBondContact O-CG 3.32Å; R604-L608 PolarHBondContact O-N 3.42Å; Q605-L608 WeakPolarHBondContact O-CB 3.28Å; Q605-L608 PolarHBondContact O-N 3.03Å; Q605-L608 VanDerWaalsContact O-N 3.16Å; I606-L608 VanDerWaalsContact C-N 3.33Å; I606-L608 PolarHBondContact O-N 2.83Å; L608-I611 HydrophobicContact CD2-CD1 4.34Å; L608-I611 WeakPolarHBondContact O-CG1 3.42Å; L608-D612 PolarHBondContact O-N 3.47Å; L608-F613 HydrophobicContact CB-CB 4.2Å; L608-F613 HydrophobicContact CD2-CB 3.88Å; L608-F613 HydrophobicContact CD2-CD1 4.09Å; L608-F613 HydrophobicContact CD2-CD2 4.14Å; L608-F613 HydrophobicContact CD2-CG 3.77Å; L608-F613 WeakPolarHBondContact O-CB 3.29Å; L608-F613 PolarHBondContact O-N 2.92Å; L608-L645 HydrophobicContact CD2-CD1 3.92Å; L608-L645 HydrophobicContact CD2-CD2 3.9Å |
| 609 | E | 89 | Confident | 78.6 | Confident | 116 Ų | 116 | 63.4 Ų | 63.4 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 174.7 | -72.1 | 172.6 | -169.4 | 0 | 0 | 111.9 | Q605 I606 C607 I611 D612 | Q605-E609 PolarHBondContact NE2-OE1 3.43Å; Q605-E609 WeakPolarHBondContact O-CG 3.43Å; Q605-E609 PolarHBondContact O-N 3.48Å; I606-E609 PolarHBondContact O-N 3.16Å; C607-E609 VanDerWaalsContact C-N 3.34Å; E609-I611 PolarHBondContact O-N 3.01Å; E609-D612 PolarHBondContact O-N 2.85Å |
| 610 | K | 88.7 | Confident | 80 | Confident | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.6 | -24.4 | -178.9 | -72 | -71.3 | -175.3 | -173.6 | 0 | 114.4 | F566 I606 C607 Y638 | F566-K610 HydrophobicContact CD1-CB 4.22Å; F566-K610 HydrophobicContact CD1-CG 4.37Å; F566-K610 HydrophobicContact CD2-CD 4.49Å; F566-K610 HydrophobicContact CD2-CG 4.1Å; F566-K610 HydrophobicContact CE1-CB 3.64Å; F566-K610 HydrophobicContact CE1-CG 4.09Å; F566-K610 HydrophobicContact CE2-CB 4.16Å; F566-K610 HydrophobicContact CE2-CG 3.81Å; F566-K610 HydrophobicContact CG-CD 4.48Å; F566-K610 HydrophobicContact CG-CG 4.37Å; F566-K610 HydrophobicContact CZ-CB 3.61Å; F566-K610 HydrophobicContact CZ-CG 3.8Å; I606-K610 HydrophobicContact CG2-CG 4.18Å; I606-K610 WeakPolarHBondContact O-CB 3.5Å; I606-K610 VanDerWaalsContact O-CG 3.25Å; I606-K610 WeakPolarHBondContact O-CG 3.47Å; I606-K610 PolarHBondContact O-N 3.21Å; C607-K610 PolarHBondContact O-N 2.82Å; K610-Y638 PolarHBondContact O-OH 3.03Å |
| 611 | I | 89.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.8 | 174.7 | 71.3 | -179.4 | 0 | 0 | 0 | 112.5 | C607 L608 E609 F613 W627 Y638 I641 L645 | C607-I611 WeakPolarHBondContact O-CG1 3.23Å; C607-I611 WeakPolarHBondContact O-CG2 3.1Å; C607-I611 PolarHBondContact O-N 2.6Å; L608-I611 HydrophobicContact CD2-CD1 4.34Å; L608-I611 WeakPolarHBondContact O-CG1 3.42Å; E609-I611 PolarHBondContact O-N 3.01Å; I611-F613 VanDerWaalsContact C-N 3.26Å; I611-F613 HydrophobicContact CD1-CB 3.99Å; I611-F613 HydrophobicContact CD1-CD2 3.75Å; I611-F613 HydrophobicContact CD1-CG 4.3Å; I611-F613 HydrophobicContact CG1-CB 3.78Å; I611-F613 HydrophobicContact CG1-CD2 4.38Å; I611-F613 PolarHBondContact O-N 3.31Å; I611-W627 HydrophobicContact CB-CZ2 4Å; I611-W627 PolarHBondContact O-NE1 3.16Å; I611-W627 VanDerWaalsContact O-NE1 3.16Å; I611-Y638 HydrophobicContact CG2-CD1 3.6Å; I611-Y638 HydrophobicContact CG2-CE1 3.9Å; I611-Y638 HydrophobicContact CG2-CG 4.06Å; I611-I641 HydrophobicContact CD1-CG2 3.97Å; I611-I641 HydrophobicContact CG2-CD1 3.83Å; I611-I641 HydrophobicContact CG2-CG2 4.41Å; I611-L645 HydrophobicContact CD1-CD1 3.89Å |
| 612 | D | 85 | Confident | 81.9 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.9 | -174.2 | -53.9 | -41.4 | 0 | 0 | 0 | 113.3 | L608 E609 H614 Q615 A616 S626 | L608-D612 PolarHBondContact O-N 3.47Å; E609-D612 PolarHBondContact O-N 2.85Å; D612-H614 PolarHBondContact O-N 2.91Å; D612-Q615 PolarHBondContact O-N 3.17Å; D612-A616 VanDerWaalsContact O-CB 3.31Å; D612-A616 WeakPolarHBondContact O-CB 3.34Å; D612-A616 PolarHBondContact O-N 2.74Å; D612-S626 WeakPolarHBondContact OD2-CB 3.38Å; D612-S626 PolarHBondContact OD2-OG 2.98Å |
| 613 | F | 84.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.5 | -55.7 | -167.7 | -165.6 | -93 | 0 | 0 | 0 | 112.2 | L608 I611 Q615 A616 C617 L645 I653 R656 W660 | L608-F613 HydrophobicContact CB-CB 4.2Å; L608-F613 HydrophobicContact CD2-CB 3.88Å; L608-F613 HydrophobicContact CD2-CD1 4.09Å; L608-F613 HydrophobicContact CD2-CD2 4.14Å; L608-F613 HydrophobicContact CD2-CG 3.77Å; L608-F613 WeakPolarHBondContact O-CB 3.29Å; L608-F613 PolarHBondContact O-N 2.92Å; I611-F613 VanDerWaalsContact C-N 3.26Å; I611-F613 HydrophobicContact CD1-CB 3.99Å; I611-F613 HydrophobicContact CD1-CD2 3.75Å; I611-F613 HydrophobicContact CD1-CG 4.3Å; I611-F613 HydrophobicContact CG1-CB 3.78Å; I611-F613 HydrophobicContact CG1-CD2 4.38Å; I611-F613 PolarHBondContact O-N 3.31Å; F613-Q615 PolarHBondContact O-N 3.07Å; F613-A616 PolarHBondContact O-N 3.33Å; F613-C617 WeakPolarHBondContact O-CB 3.47Å; F613-C617 PolarHBondContact O-N 3.4Å; F613-C617 PolarHBondContact O-SG 3.19Å; F613-L645 HydrophobicContact CD2-CD1 4.12Å; F613-L645 HydrophobicContact CE2-CD1 4.01Å; F613-I653 HydrophobicContact CE1-CG1 4.2Å; F613-I653 HydrophobicContact CE1-CG2 4.3Å; F613-I653 HydrophobicContact CZ-CB 4.32Å; F613-I653 HydrophobicContact CZ-CG1 4.41Å; F613-I653 HydrophobicContact CZ-CG2 3.83Å; F613-R656 HydrophobicContact CZ-CB 4.4Å; F613-R656 HydrophobicContact CZ-CG 4.3Å; F613-W660 HydrophobicContact CD2-CE3 4.21Å; F613-W660 HydrophobicContact CD2-CH2 4.11Å; F613-W660 AromaticContact CD2-CZ3 3.46Å; F613-W660 HydrophobicContact CD2-CZ3 3.46Å; F613-W660 VanDerWaalsContact CD2-CZ3 3.46Å; F613-W660 HydrophobicContact CE2-CE3 4.25Å; F613-W660 HydrophobicContact CE2-CH2 4.41Å; F613-W660 AromaticContact CE2-CZ3 3.81Å; F613-W660 HydrophobicContact CE2-CZ3 3.81Å; F613-W660 HydrophobicContact CG-CZ3 4.21Å |
| 614 | H | 81.2 | Confident | 82.4 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.44 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | -177 | -64.3 | -66.9 | 0 | 0 | 0 | 112.7 | D612 C617 L618 | D612-H614 PolarHBondContact O-N 2.91Å; H614-C617 PolarHBondContact O-N 3.23Å; H614-L618 WeakPolarHBondContact O-CG 3.31Å; H614-L618 PolarHBondContact O-N 3.18Å; H614-L618 VanDerWaalsContact O-N 3.1Å |
| 615 | Q | 79.5 | Confident | 82.3 | Confident | 142 Ų | 142 | 58.5 Ų | 58.5 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | -179.4 | -171.4 | 177.2 | 4.4 | 0 | 0 | 111.7 | D612 F613 L618 A619 | D612-Q615 PolarHBondContact O-N 3.17Å; F613-Q615 PolarHBondContact O-N 3.07Å; Q615-L618 PolarHBondContact O-N 2.98Å; Q615-A619 PolarHBondContact O-N 3.42Å |
| 616 | A | 77.2 | Confident | 82.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.1 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D612 F613 A619 P624 W660 | D612-A616 VanDerWaalsContact O-CB 3.31Å; D612-A616 WeakPolarHBondContact O-CB 3.34Å; D612-A616 PolarHBondContact O-N 2.74Å; F613-A616 PolarHBondContact O-N 3.33Å; A616-A619 PolarHBondContact O-N 3.05Å; A616-P624 HydrophobicContact CB-CB 4.05Å; A616-P624 HydrophobicContact CB-CG 3.9Å; A616-W660 HydrophobicContact CB-CH2 3.6Å; A616-W660 HydrophobicContact CB-CZ2 3.78Å |
| 617 | C | 75.8 | Confident | 82.6 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 169.1 | -75.8 | 0 | 0 | 0 | 0 | 112 | F613 H614 A619 D620 | F613-C617 WeakPolarHBondContact O-CB 3.47Å; F613-C617 PolarHBondContact O-N 3.4Å; F613-C617 PolarHBondContact O-SG 3.19Å; H614-C617 PolarHBondContact O-N 3.23Å; C617-A619 VanDerWaalsContact C-N 3.33Å; C617-A619 PolarHBondContact O-N 2.71Å; C617-D620 PolarHBondContact O-N 2.97Å |
| 618 | L | 74.8 | Confident | 82.6 | Confident | 155 Ų | 155 | 59.4 Ų | 59.4 | 81% | 0.812 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -33.1 | 177 | -70.1 | 170.1 | 0 | 0 | 0 | 113 | H614 Q615 D620 | H614-L618 WeakPolarHBondContact O-CG 3.31Å; H614-L618 PolarHBondContact O-N 3.18Å; H614-L618 VanDerWaalsContact O-N 3.1Å; Q615-L618 PolarHBondContact O-N 2.98Å; L618-D620 PolarHBondContact O-N 2.57Å |
| 619 | A | 74.8 | Confident | 82.6 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 62% | 0.62 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q615 A616 C617 S621 | Q615-A619 PolarHBondContact O-N 3.42Å; A616-A619 PolarHBondContact O-N 3.05Å; C617-A619 VanDerWaalsContact C-N 3.33Å; C617-A619 PolarHBondContact O-N 2.71Å; A619-S621 PolarHBondContact O-N 3.41Å |
| 620 | D | 72.4 | Confident | 82.8 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 30.8 | -173.5 | -148.8 | 16.4 | 0 | 0 | 0 | 115.2 | C617 L618 R656 | C617-D620 PolarHBondContact O-N 2.97Å; L618-D620 PolarHBondContact O-N 2.57Å; D620-R656 IonicContact OD1-CZ 3.81Å; D620-R656 IonicContact OD1-NH1 2.95Å; D620-R656 PolarHBondContact OD1-NH1 3.34Å; D620-R656 IonicContact OD1-NH2 2.96Å; D620-R656 PolarHBondContact OD1-NH2 2.85Å |
| 621 | S | 71.6 | Confident | 82.9 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | trans | -75.6 | 137.8 | -180 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | A619 F623 R656 W660 | A619-S621 PolarHBondContact O-N 3.41Å; S621-F623 PolarHBondContact O-N 2.97Å; S621-F623 PolarHBondContact OG-O 2.78Å; S621-R656 PolarHBondContact O-NH1 2.78Å; S621-W660 PolarHBondContact O-NE1 2.96Å | ||
| 622 | S | 77.2 | Confident | 83 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -69.3 | -17.8 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 623 | F | 84.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 67 Ų | 67 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -153.8 | 131.5 | 175.6 | -172.4 | -107.9 | 0 | 0 | 0 | 110.7 | S621 H625 W627 L628 L664 F667 F761 | S621-F623 PolarHBondContact O-N 2.97Å; S621-F623 PolarHBondContact OG-O 2.78Å; F623-H625 PolarHBondContact O-N 2.89Å; F623-W627 HydrophobicContact CD2-CE3 4.39Å; F623-W627 HydrophobicContact CE1-CB 4.11Å; F623-W627 AromaticContact CE2-CE3 3.59Å; F623-W627 HydrophobicContact CE2-CE3 3.59Å; F623-W627 HydrophobicContact CE2-CZ3 4.06Å; F623-W627 HydrophobicContact CZ-CB 3.97Å; F623-W627 AromaticContact CZ-CE3 3.8Å; F623-W627 HydrophobicContact CZ-CE3 3.8Å; F623-L628 HydrophobicContact CD1-CD2 4.28Å; F623-L628 HydrophobicContact CE1-CD2 3.79Å; F623-L628 HydrophobicContact CE1-CG 4.26Å; F623-L664 HydrophobicContact CE2-CB 4.14Å; F623-L664 HydrophobicContact CE2-CD1 4.22Å; F623-L664 HydrophobicContact CZ-CD1 4.29Å; F623-F667 HydrophobicContact CE1-CD1 4.25Å; F623-F667 HydrophobicContact CZ-CB 4.36Å; F623-F667 AromaticContact CZ-CD1 3.81Å; F623-F667 HydrophobicContact CZ-CD1 3.81Å; F623-F667 HydrophobicContact CZ-CG 4.36Å; F623-F761 HydrophobicContact CB-CE1 4.03Å; F623-F761 HydrophobicContact CB-CZ 4.28Å; F623-F761 HydrophobicContact CD1-CD1 4.09Å; F623-F761 AromaticContact CD1-CE1 3.58Å; F623-F761 HydrophobicContact CD1-CE1 3.58Å; F623-F761 HydrophobicContact CD1-CZ 4.21Å; F623-F761 HydrophobicContact CE1-CD1 4.35Å; F623-F761 HydrophobicContact CE1-CE1 4.19Å; F623-F761 AromaticContact CG-CE1 3.84Å; F623-F761 HydrophobicContact CG-CE1 3.84Å; F623-F761 HydrophobicContact CG-CZ 4.08Å |
| 624 | P | 86.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.013 | 37% | 0.366 | C | S | . | . | trans | -65.4 | 120.9 | 179.7 | -22.9 | 34.8 | 0 | 0 | 0 | 112.8 | A616 S626 W627 W660 | A616-P624 HydrophobicContact CB-CB 4.05Å; A616-P624 HydrophobicContact CB-CG 3.9Å; P624-S626 PolarHBondContact O-N 3Å; P624-W627 HydrophobicContact CB-CD2 4.03Å; P624-W627 HydrophobicContact CB-CG 3.99Å; P624-W627 HydrophobicContact CB-CZ2 4.48Å; P624-W627 HydrophobicContact CG-CD2 4.01Å; P624-W627 HydrophobicContact CG-CE3 4.39Å; P624-W627 HydrophobicContact CG-CG 4.5Å; P624-W627 HydrophobicContact CG-CH2 4.23Å; P624-W627 HydrophobicContact CG-CZ2 3.82Å; P624-W627 HydrophobicContact CG-CZ3 4.5Å; P624-W627 WeakPolarHBondContact O-CB 3.32Å; P624-W627 PolarHBondContact O-N 2.86Å; P624-W627 VanDerWaalsContact O-N 3.14Å; P624-W660 HydrophobicContact CG-CD2 4.13Å; P624-W660 HydrophobicContact CG-CE3 4.14Å; P624-W660 HydrophobicContact CG-CH2 4.05Å; P624-W660 HydrophobicContact CG-CZ2 3.99Å; P624-W660 HydrophobicContact CG-CZ3 4.09Å | ||
| 625 | H | 85.5 | Confident | 84.2 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 66% | 0.662 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.9 | -29 | -180 | -67.9 | 88.2 | 0 | 0 | 0 | 113.2 | F623 W627 L628 | F623-H625 PolarHBondContact O-N 2.89Å; H625-W627 PolarHBondContact O-N 3.3Å; H625-W627 VanDerWaalsContact O-N 3.15Å; H625-L628 PolarHBondContact O-N 3.4Å |
| 626 | S | 87.1 | Confident | 84.9 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62.3 | -20.3 | 178.1 | 63 | 0 | 0 | 0 | 0 | 113 | D612 P624 | D612-S626 WeakPolarHBondContact OD2-CB 3.38Å; D612-S626 PolarHBondContact OD2-OG 2.98Å; P624-S626 PolarHBondContact O-N 3Å |
| 627 | W | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -80.7 | -23.2 | -177.7 | -65.2 | 11.6 | 0 | 0 | 0 | 113.2 | I611 F623 P624 H625 N629 K630 L635 Y638 L642 W660 L664 | I611-W627 HydrophobicContact CB-CZ2 4Å; I611-W627 PolarHBondContact O-NE1 3.16Å; I611-W627 VanDerWaalsContact O-NE1 3.16Å; F623-W627 HydrophobicContact CD2-CE3 4.39Å; F623-W627 HydrophobicContact CE1-CB 4.11Å; F623-W627 AromaticContact CE2-CE3 3.59Å; F623-W627 HydrophobicContact CE2-CE3 3.59Å; F623-W627 HydrophobicContact CE2-CZ3 4.06Å; F623-W627 HydrophobicContact CZ-CB 3.97Å; F623-W627 AromaticContact CZ-CE3 3.8Å; F623-W627 HydrophobicContact CZ-CE3 3.8Å; P624-W627 HydrophobicContact CB-CD2 4.03Å; P624-W627 HydrophobicContact CB-CG 3.99Å; P624-W627 HydrophobicContact CB-CZ2 4.48Å; P624-W627 HydrophobicContact CG-CD2 4.01Å; P624-W627 HydrophobicContact CG-CE3 4.39Å; P624-W627 HydrophobicContact CG-CG 4.5Å; P624-W627 HydrophobicContact CG-CH2 4.23Å; P624-W627 HydrophobicContact CG-CZ2 3.82Å; P624-W627 HydrophobicContact CG-CZ3 4.5Å; P624-W627 WeakPolarHBondContact O-CB 3.32Å; P624-W627 PolarHBondContact O-N 2.86Å; P624-W627 VanDerWaalsContact O-N 3.14Å; H625-W627 PolarHBondContact O-N 3.3Å; H625-W627 VanDerWaalsContact O-N 3.15Å; W627-N629 PolarHBondContact O-N 2.87Å; W627-N629 VanDerWaalsContact O-N 3.16Å; W627-K630 WeakPolarHBondContact O-CB 3.46Å; W627-K630 PolarHBondContact O-N 3.26Å; W627-L635 HydrophobicContact CB-CD2 4.04Å; W627-Y638 AromaticContact CD1-CE2 3.7Å; W627-Y638 AromaticContact CD2-CD2 3.78Å; W627-Y638 HydrophobicContact CD2-CD2 3.78Å; W627-Y638 HydrophobicContact CD2-CE2 4.23Å; W627-Y638 AromaticContact CE2-CD2 3.71Å; W627-Y638 HydrophobicContact CE3-CD2 4.32Å; W627-Y638 HydrophobicContact CG-CD2 4.02Å; W627-Y638 HydrophobicContact CG-CE2 4.04Å; W627-Y638 HydrophobicContact CZ2-CD2 4.23Å; W627-Y638 AromaticContact NE1-CD2 3.88Å; W627-Y638 AromaticContact NE1-CE2 3.71Å; W627-L642 HydrophobicContact CH2-CD1 3.94Å; W627-L642 HydrophobicContact CH2-CD2 4.43Å; W627-L642 HydrophobicContact CH2-CG 4.44Å; W627-L642 HydrophobicContact CZ3-CD1 4.09Å; W627-W660 AromaticContact CH2-CE3 3.94Å; W627-W660 HydrophobicContact CH2-CE3 3.94Å; W627-W660 HydrophobicContact CZ2-CE3 4.25Å; W627-W660 HydrophobicContact CZ2-CZ3 4.47Å; W627-L664 HydrophobicContact CE3-CD1 4.11Å; W627-L664 HydrophobicContact CZ3-CB 4.47Å; W627-L664 HydrophobicContact CZ3-CD1 4.36Å; W627-L664 HydrophobicContact CZ3-CD2 4.02Å |
| 628 | L | 89.4 | Confident | 86.6 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33 | -175.5 | -66.6 | 172.7 | 0 | 0 | 0 | 112.9 | F623 H625 F667 F761 | F623-L628 HydrophobicContact CD1-CD2 4.28Å; F623-L628 HydrophobicContact CE1-CD2 3.79Å; F623-L628 HydrophobicContact CE1-CG 4.26Å; H625-L628 PolarHBondContact O-N 3.4Å; L628-F667 HydrophobicContact CD2-CE1 4.34Å; L628-F667 HydrophobicContact CD2-CE2 4.17Å; L628-F667 HydrophobicContact CD2-CZ 4.03Å; L628-F761 HydrophobicContact CD2-CB 4.04Å; L628-F761 HydrophobicContact CD2-CD1 3.86Å; L628-F761 HydrophobicContact CD2-CG 4.31Å |
| 629 | N | 89.7 | Confident | 87.5 | Confident | 157 Ų | 157 | 47.9 Ų | 47.9 | 84% | 0.84 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.5 | -178.6 | -65.9 | -27.1 | 0 | 0 | 0 | 114 | W627 | W627-N629 PolarHBondContact O-N 2.87Å; W627-N629 VanDerWaalsContact O-N 3.16Å |
| 630 | K | 91.9 | Very high | 88.4 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -76.1 | 150.3 | -177 | -64.1 | -66.3 | -173.6 | 178.1 | 0 | 111.6 | W627 T634 L635 Y638 R671 | W627-K630 WeakPolarHBondContact O-CB 3.46Å; W627-K630 PolarHBondContact O-N 3.26Å; K630-T634 HydrophobicContact CB-CG2 4.27Å; K630-T634 HydrophobicContact CD-CG2 4.31Å; K630-T634 HydrophobicContact CG-CG2 4.41Å; K630-L635 HydrophobicContact CB-CD2 4.07Å; K630-L635 HydrophobicContact CB-CG 4.32Å; K630-Y638 HydrophobicContact CG-CE2 4.21Å; K630-R671 PolarHBondContact O-NH1 2.77Å |
| 631 | P | 91.8 | Very high | 89.4 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | trans | -69.3 | 155.5 | 174.2 | 29.7 | -33.7 | 0 | 0 | 0 | 111.1 | P568 K633 T634 L635 | P568-P631 HydrophobicContact CB-CG 4.33Å; P631-K633 VanDerWaalsContact C-N 3.26Å; P631-K633 PolarHBondContact O-N 3.28Å; P631-T634 WeakPolarHBondContact CG-OG1 3.47Å; P631-T634 WeakPolarHBondContact O-CB 3.39Å; P631-T634 PolarHBondContact O-N 3.01Å; P631-L635 PolarHBondContact O-N 3.15Å | ||
| 632 | L | 91.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54 | -41 | -176.7 | 178.8 | 61.7 | 0 | 0 | 0 | 112.8 | T634 L635 Q636 I668 | L632-T634 VanDerWaalsContact C-N 3.31Å; L632-T634 PolarHBondContact O-N 2.95Å; L632-L635 WeakPolarHBondContact O-CB 3.24Å; L632-L635 PolarHBondContact O-N 3.33Å; L632-L635 VanDerWaalsContact O-N 3.14Å; L632-Q636 HydrophobicContact CD1-CG 4.33Å; L632-Q636 HydrophobicContact CG-CG 4.42Å; L632-Q636 VanDerWaalsContact O-CG 3.29Å; L632-Q636 WeakPolarHBondContact O-CG 3.28Å; L632-Q636 PolarHBondContact O-N 2.81Å; L632-I668 HydrophobicContact CD1-CG1 4.16Å; L632-I668 HydrophobicContact CD1-CG2 3.98Å |
| 633 | K | 90.6 | Very high | 91.1 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 178.5 | -65.7 | 172.7 | 176.5 | 176.6 | 0 | 112.4 | P568 E569 P631 Q636 I637 | P568-K633 WeakPolarHBondContact O-CD 3.39Å; E569-K633 PolarHBondContact O-NZ 3.49Å; P631-K633 VanDerWaalsContact C-N 3.26Å; P631-K633 PolarHBondContact O-N 3.28Å; K633-Q636 PolarHBondContact O-N 3.37Å; K633-I637 WeakPolarHBondContact O-CG1 3.46Å; K633-I637 PolarHBondContact O-N 3.04Å |
| 634 | T | 92.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 176 | -58 | 0 | 0 | 0 | 0 | 111.6 | K630 P631 L632 Q636 I637 Y638 | K630-T634 HydrophobicContact CB-CG2 4.27Å; K630-T634 HydrophobicContact CD-CG2 4.31Å; K630-T634 HydrophobicContact CG-CG2 4.41Å; P631-T634 WeakPolarHBondContact CG-OG1 3.47Å; P631-T634 WeakPolarHBondContact O-CB 3.39Å; P631-T634 PolarHBondContact O-N 3.01Å; L632-T634 VanDerWaalsContact C-N 3.31Å; L632-T634 PolarHBondContact O-N 2.95Å; T634-Q636 VanDerWaalsContact C-N 3.28Å; T634-Q636 PolarHBondContact O-N 2.86Å; T634-I637 WeakPolarHBondContact O-CB 3.27Å; T634-I637 PolarHBondContact O-N 3.07Å; T634-I637 VanDerWaalsContact O-N 3.16Å; T634-Y638 HydrophobicContact CG2-CD1 4.2Å; T634-Y638 HydrophobicContact CG2-CD2 4.39Å; T634-Y638 HydrophobicContact CG2-CE1 3.64Å; T634-Y638 HydrophobicContact CG2-CE2 3.82Å; T634-Y638 VanDerWaalsContact CG2-CZ 3.43Å; T634-Y638 WeakPolarHBondContact O-CD1 3.02Å; T634-Y638 PolarHBondContact O-N 2.87Å |
| 635 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 176.1 | -64.2 | 176.1 | 0 | 0 | 0 | 112.1 | W627 K630 P631 L632 I637 Y638 R639 L664 F667 I668 | W627-L635 HydrophobicContact CB-CD2 4.04Å; K630-L635 HydrophobicContact CB-CD2 4.07Å; K630-L635 HydrophobicContact CB-CG 4.32Å; P631-L635 PolarHBondContact O-N 3.15Å; L632-L635 WeakPolarHBondContact O-CB 3.24Å; L632-L635 PolarHBondContact O-N 3.33Å; L632-L635 VanDerWaalsContact O-N 3.14Å; L635-I637 VanDerWaalsContact C-N 3.34Å; L635-Y638 HydrophobicContact CD2-CD2 4.31Å; L635-Y638 PolarHBondContact O-N 2.85Å; L635-R639 WeakPolarHBondContact O-CB 3.39Å; L635-R639 PolarHBondContact O-N 3.23Å; L635-L664 HydrophobicContact CB-CD1 4.14Å; L635-L664 HydrophobicContact CD2-CD1 3.94Å; L635-L664 HydrophobicContact CG-CD1 4.47Å; L635-F667 HydrophobicContact CD1-CD1 3.83Å; L635-F667 HydrophobicContact CD1-CE1 3.5Å; L635-F667 HydrophobicContact CD1-CZ 4.42Å; L635-F667 HydrophobicContact CD2-CE1 4.31Å; L635-I668 HydrophobicContact CB-CD1 4.42Å; L635-I668 HydrophobicContact CB-CG1 4.44Å |
| 636 | Q | 94.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 175.9 | -67 | 166.2 | -30 | 0 | 0 | 111.8 | L632 K633 T634 R639 F640 I867 Y868 | L632-Q636 HydrophobicContact CD1-CG 4.33Å; L632-Q636 HydrophobicContact CG-CG 4.42Å; L632-Q636 VanDerWaalsContact O-CG 3.29Å; L632-Q636 WeakPolarHBondContact O-CG 3.28Å; L632-Q636 PolarHBondContact O-N 2.81Å; K633-Q636 PolarHBondContact O-N 3.37Å; T634-Q636 VanDerWaalsContact C-N 3.28Å; T634-Q636 PolarHBondContact O-N 2.86Å; Q636-R639 WeakPolarHBondContact O-CB 3.37Å; Q636-R639 PolarHBondContact O-N 3.02Å; Q636-F640 PolarHBondContact O-N 3.21Å; Q636-I867 PolarHBondContact NE2-O 2.91Å; Q636-Y868 WeakPolarHBondContact CG-O 3.37Å |
| 637 | I | 93.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 171.7 | -64.2 | 156.3 | 0 | 0 | 0 | 110.6 | I565 F566 L572 K633 T634 L635 R639 F640 I641 | I565-I637 HydrophobicContact CG2-CG2 4.11Å; I565-I637 WeakPolarHBondContact O-CD1 3.42Å; F566-I637 HydrophobicContact CD1-CG2 4.21Å; F566-I637 HydrophobicContact CE1-CG2 3.98Å; L572-I637 HydrophobicContact CD1-CG1 3.64Å; K633-I637 WeakPolarHBondContact O-CG1 3.46Å; K633-I637 PolarHBondContact O-N 3.04Å; T634-I637 WeakPolarHBondContact O-CB 3.27Å; T634-I637 PolarHBondContact O-N 3.07Å; T634-I637 VanDerWaalsContact O-N 3.16Å; L635-I637 VanDerWaalsContact C-N 3.34Å; I637-R639 VanDerWaalsContact C-N 3.28Å; I637-R639 PolarHBondContact O-N 2.88Å; I637-F640 WeakPolarHBondContact O-CA 3.33Å; I637-F640 WeakPolarHBondContact O-CB 3.46Å; I637-F640 PolarHBondContact O-N 2.76Å; I637-F640 VanDerWaalsContact O-N 3.07Å; I637-I641 HydrophobicContact CG2-CD1 4.08Å; I637-I641 WeakPolarHBondContact O-CG1 3.49Å; I637-I641 PolarHBondContact O-N 2.79Å |
| 638 | Y | 94.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 177 | -64.7 | -8.8 | 0 | 0 | 0 | 111.1 | F566 K610 I611 W627 K630 T634 L635 F640 I641 L642 | F566-Y638 HydrophobicContact CE1-CE1 4.27Å; K610-Y638 PolarHBondContact O-OH 3.03Å; I611-Y638 HydrophobicContact CG2-CD1 3.6Å; I611-Y638 HydrophobicContact CG2-CE1 3.9Å; I611-Y638 HydrophobicContact CG2-CG 4.06Å; W627-Y638 AromaticContact CD1-CE2 3.7Å; W627-Y638 AromaticContact CD2-CD2 3.78Å; W627-Y638 HydrophobicContact CD2-CD2 3.78Å; W627-Y638 HydrophobicContact CD2-CE2 4.23Å; W627-Y638 AromaticContact CE2-CD2 3.71Å; W627-Y638 HydrophobicContact CE3-CD2 4.32Å; W627-Y638 HydrophobicContact CG-CD2 4.02Å; W627-Y638 HydrophobicContact CG-CE2 4.04Å; W627-Y638 HydrophobicContact CZ2-CD2 4.23Å; W627-Y638 AromaticContact NE1-CD2 3.88Å; W627-Y638 AromaticContact NE1-CE2 3.71Å; K630-Y638 HydrophobicContact CG-CE2 4.21Å; T634-Y638 HydrophobicContact CG2-CD1 4.2Å; T634-Y638 HydrophobicContact CG2-CD2 4.39Å; T634-Y638 HydrophobicContact CG2-CE1 3.64Å; T634-Y638 HydrophobicContact CG2-CE2 3.82Å; T634-Y638 VanDerWaalsContact CG2-CZ 3.43Å; T634-Y638 WeakPolarHBondContact O-CD1 3.02Å; T634-Y638 PolarHBondContact O-N 2.87Å; L635-Y638 HydrophobicContact CD2-CD2 4.31Å; L635-Y638 PolarHBondContact O-N 2.85Å; Y638-F640 VanDerWaalsContact C-N 3.3Å; Y638-F640 PolarHBondContact O-N 3.14Å; Y638-I641 PolarHBondContact O-N 2.85Å; Y638-L642 WeakPolarHBondContact O-CG 3.49Å; Y638-L642 PolarHBondContact O-N 3.25Å |
| 639 | R | 93.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 173.4 | -166.2 | -168.8 | -177.5 | -76.4 | -8.6 | 112 | L635 Q636 I637 L642 C643 L664 D665 Y868 C869 | L635-R639 WeakPolarHBondContact O-CB 3.39Å; L635-R639 PolarHBondContact O-N 3.23Å; Q636-R639 WeakPolarHBondContact O-CB 3.37Å; Q636-R639 PolarHBondContact O-N 3.02Å; I637-R639 VanDerWaalsContact C-N 3.28Å; I637-R639 PolarHBondContact O-N 2.88Å; R639-L642 PolarHBondContact O-N 3.04Å; R639-C643 PolarHBondContact O-N 2.81Å; R639-C643 PolarHBondContact O-SG 2.85Å; R639-L664 HydrophobicContact CB-CD2 3.61Å; R639-L664 HydrophobicContact CG-CD2 4.14Å; R639-D665 IonicContact CZ-OD1 3.49Å; R639-D665 IonicContact CZ-OD2 3.5Å; R639-D665 IonicContact NE-OD1 3.94Å; R639-D665 PolarHBondContact NE-OD1 2.81Å; R639-D665 IonicContact NE-OD2 3.83Å; R639-D665 IonicContact NH2-OD1 3.48Å; R639-D665 PolarHBondContact NH2-OD1 3.16Å; R639-D665 IonicContact NH2-OD2 2.7Å; R639-D665 PolarHBondContact NH2-OD2 2.86Å; R639-Y868 WeakPolarHBondContact CD-O 3.46Å; R639-C869 PolarHBondContact NH1-SG 2.87Å |
| 640 | F | 93.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.1 | -179.6 | -89.3 | 0 | 0 | 0 | 112 | L49 H51 L579 L582 I583 Q636 I637 Y638 L642 C643 M644 | L49-F640 HydrophobicContact CB-CE2 4.46Å; L49-F640 HydrophobicContact CD1-CE2 4.32Å; L49-F640 HydrophobicContact CD2-CE2 4.27Å; L49-F640 HydrophobicContact CD2-CZ 4.38Å; H51-F640 AromaticContact CE1-CE2 3.89Å; L579-F640 HydrophobicContact CB-CE1 4.11Å; L579-F640 HydrophobicContact CB-CE2 4.25Å; L579-F640 HydrophobicContact CB-CZ 3.75Å; L579-F640 HydrophobicContact CD1-CD2 4.26Å; L579-F640 HydrophobicContact CD1-CE2 4.17Å; L579-F640 HydrophobicContact CD1-CZ 4.4Å; L579-F640 HydrophobicContact CD2-CD1 3.79Å; L579-F640 HydrophobicContact CD2-CE1 3.76Å; L579-F640 HydrophobicContact CD2-CG 4.24Å; L579-F640 HydrophobicContact CD2-CZ 4.18Å; L579-F640 HydrophobicContact CG-CE1 4.38Å; L579-F640 HydrophobicContact CG-CZ 4.31Å; L582-F640 HydrophobicContact CD2-CE1 4.25Å; I583-F640 HydrophobicContact CD1-CE2 4.35Å; I583-F640 HydrophobicContact CD1-CZ 3.69Å; I583-F640 HydrophobicContact CG1-CE1 4.42Å; I583-F640 HydrophobicContact CG1-CZ 3.89Å; Q636-F640 PolarHBondContact O-N 3.21Å; I637-F640 WeakPolarHBondContact O-CA 3.33Å; I637-F640 WeakPolarHBondContact O-CB 3.46Å; I637-F640 PolarHBondContact O-N 2.76Å; I637-F640 VanDerWaalsContact O-N 3.07Å; Y638-F640 VanDerWaalsContact C-N 3.3Å; Y638-F640 PolarHBondContact O-N 3.14Å; F640-L642 VanDerWaalsContact C-N 3.33Å; F640-L642 PolarHBondContact O-N 3.29Å; F640-C643 VanDerWaalsContact O-CB 3.31Å; F640-C643 WeakPolarHBondContact O-CB 3.47Å; F640-C643 PolarHBondContact O-N 2.89Å; F640-C643 VanDerWaalsContact O-N 3.11Å; F640-M644 HydrophobicContact CD1-CE 3.98Å; F640-M644 HydrophobicContact CD1-SD 4.41Å; F640-M644 HydrophobicContact CE1-CE 3.8Å; F640-M644 HydrophobicContact CE1-CG 4.34Å; F640-M644 HydrophobicContact CE1-SD 3.75Å; F640-M644 HydrophobicContact CZ-SD 4.4Å; F640-M644 PolarHBondContact O-N 2.9Å |
| 641 | I | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.7 | -65 | 165.9 | 0 | 0 | 0 | 110.9 | F566 W586 C607 I611 I637 Y638 C643 M644 L645 | F566-I641 HydrophobicContact CE1-CD1 3.84Å; F566-I641 HydrophobicContact CZ-CD1 3.73Å; W586-I641 HydrophobicContact CH2-CG2 4.05Å; C607-I641 HydrophobicContact CB-CD1 4.15Å; C607-I641 HydrophobicContact CB-CG2 4.29Å; I611-I641 HydrophobicContact CD1-CG2 3.97Å; I611-I641 HydrophobicContact CG2-CD1 3.83Å; I611-I641 HydrophobicContact CG2-CG2 4.41Å; I637-I641 HydrophobicContact CG2-CD1 4.08Å; I637-I641 WeakPolarHBondContact O-CG1 3.49Å; I637-I641 PolarHBondContact O-N 2.79Å; Y638-I641 PolarHBondContact O-N 2.85Å; I641-C643 VanDerWaalsContact C-N 3.28Å; I641-C643 PolarHBondContact O-N 2.72Å; I641-M644 HydrophobicContact CB-CE 4.47Å; I641-M644 HydrophobicContact CG1-CE 4.24Å; I641-M644 WeakPolarHBondContact O-CB 3.27Å; I641-M644 PolarHBondContact O-N 2.81Å; I641-M644 VanDerWaalsContact O-N 3.07Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 HydrophobicContact CG2-CG 4.38Å; I641-L645 WeakPolarHBondContact O-CG 3.02Å; I641-L645 PolarHBondContact O-N 3.19Å |
| 642 | L | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | 175 | -66.8 | 175.7 | 0 | 0 | 0 | 112.5 | W627 Y638 R639 F640 M644 L645 N646 A657 W660 M661 L664 | W627-L642 HydrophobicContact CH2-CD1 3.94Å; W627-L642 HydrophobicContact CH2-CD2 4.43Å; W627-L642 HydrophobicContact CH2-CG 4.44Å; W627-L642 HydrophobicContact CZ3-CD1 4.09Å; Y638-L642 WeakPolarHBondContact O-CG 3.49Å; Y638-L642 PolarHBondContact O-N 3.25Å; R639-L642 PolarHBondContact O-N 3.04Å; F640-L642 VanDerWaalsContact C-N 3.33Å; F640-L642 PolarHBondContact O-N 3.29Å; L642-M644 VanDerWaalsContact C-N 3.28Å; L642-M644 PolarHBondContact O-N 2.84Å; L642-L645 HydrophobicContact CD2-CD1 4.38Å; L642-L645 PolarHBondContact O-N 2.84Å; L642-N646 WeakPolarHBondContact O-CB 3.23Å; L642-N646 PolarHBondContact O-N 2.93Å; L642-A657 HydrophobicContact CD2-CB 4.13Å; L642-W660 HydrophobicContact CD1-CB 4.05Å; L642-W660 HydrophobicContact CD2-CB 4.3Å; L642-W660 HydrophobicContact CD2-CE3 4.2Å; L642-M661 HydrophobicContact CB-CE 4.33Å; L642-M661 HydrophobicContact CB-CG 3.85Å; L642-M661 HydrophobicContact CD1-CB 4.37Å; L642-M661 HydrophobicContact CD1-CG 4.17Å; L642-M661 WeakPolarHBondContact O-CE 3.27Å; L642-L664 HydrophobicContact CD1-CD2 3.95Å |
| 643 | C | 91 | Very high | 89.6 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 173.7 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | R639 F640 I641 M661 | R639-C643 PolarHBondContact O-N 2.81Å; R639-C643 PolarHBondContact O-SG 2.85Å; F640-C643 VanDerWaalsContact O-CB 3.31Å; F640-C643 WeakPolarHBondContact O-CB 3.47Å; F640-C643 PolarHBondContact O-N 2.89Å; F640-C643 VanDerWaalsContact O-N 3.11Å; I641-C643 VanDerWaalsContact C-N 3.28Å; I641-C643 PolarHBondContact O-N 2.72Å; C643-M661 VanDerWaalsContact SG-SD 3.65Å |
| 644 | M | 89.3 | Confident | 89.5 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72 | -44 | 174.4 | -61 | -171.6 | -66.3 | 0 | 0 | 111.5 | L582 I583 W586 F640 I641 L642 N646 K647 | L582-M644 HydrophobicContact CD2-CE 3.51Å; L582-M644 HydrophobicContact CD2-SD 4.42Å; L582-M644 HydrophobicContact CG-CE 3.94Å; L582-M644 HydrophobicContact CG-SD 4.37Å; I583-M644 HydrophobicContact CG1-SD 3.96Å; W586-M644 HydrophobicContact CD2-CB 4.26Å; W586-M644 HydrophobicContact CD2-CE 3.91Å; W586-M644 HydrophobicContact CD2-SD 3.81Å; W586-M644 HydrophobicContact CE3-CE 3.41Å; W586-M644 VanDerWaalsContact CE3-CE 3.41Å; W586-M644 HydrophobicContact CE3-SD 3.79Å; W586-M644 HydrophobicContact CG-SD 4.22Å; W586-M644 HydrophobicContact CH2-CE 3.61Å; W586-M644 HydrophobicContact CZ2-CB 3.92Å; W586-M644 HydrophobicContact CZ2-CE 4.07Å; W586-M644 HydrophobicContact CZ3-CE 3.25Å; W586-M644 HydrophobicContact CZ3-SD 4.25Å; F640-M644 HydrophobicContact CD1-CE 3.98Å; F640-M644 HydrophobicContact CD1-SD 4.41Å; F640-M644 HydrophobicContact CE1-CE 3.8Å; F640-M644 HydrophobicContact CE1-CG 4.34Å; F640-M644 HydrophobicContact CE1-SD 3.75Å; F640-M644 HydrophobicContact CZ-SD 4.4Å; F640-M644 PolarHBondContact O-N 2.9Å; I641-M644 HydrophobicContact CB-CE 4.47Å; I641-M644 HydrophobicContact CG1-CE 4.24Å; I641-M644 WeakPolarHBondContact O-CB 3.27Å; I641-M644 PolarHBondContact O-N 2.81Å; I641-M644 VanDerWaalsContact O-N 3.07Å; L642-M644 VanDerWaalsContact C-N 3.28Å; L642-M644 PolarHBondContact O-N 2.84Å; M644-N646 PolarHBondContact O-N 2.83Å; M644-K647 PolarHBondContact O-N 2.77Å |
| 645 | L | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -24.8 | 177.7 | -66.9 | 172.9 | 0 | 0 | 0 | 113.6 | W586 L608 I611 F613 I641 L642 K647 D648 I653 A657 | W586-L645 HydrophobicContact CZ2-CD2 3.81Å; W586-L645 HydrophobicContact CZ2-CG 4.19Å; L608-L645 HydrophobicContact CD2-CD1 3.92Å; L608-L645 HydrophobicContact CD2-CD2 3.9Å; I611-L645 HydrophobicContact CD1-CD1 3.89Å; F613-L645 HydrophobicContact CD2-CD1 4.12Å; F613-L645 HydrophobicContact CE2-CD1 4.01Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 HydrophobicContact CG2-CG 4.38Å; I641-L645 WeakPolarHBondContact O-CG 3.02Å; I641-L645 PolarHBondContact O-N 3.19Å; L642-L645 HydrophobicContact CD2-CD1 4.38Å; L642-L645 PolarHBondContact O-N 2.84Å; L645-K647 PolarHBondContact O-N 2.82Å; L645-K647 VanDerWaalsContact O-N 3.14Å; L645-D648 WeakPolarHBondContact O-CB 3.38Å; L645-D648 PolarHBondContact O-N 3.28Å; L645-D648 VanDerWaalsContact O-N 3.08Å; L645-I653 HydrophobicContact CB-CG2 4.25Å; L645-I653 HydrophobicContact CD2-CG2 3.93Å; L645-A657 HydrophobicContact CB-CB 3.75Å |
| 646 | N | 87.3 | Confident | 89.1 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.3 | 173.6 | -166.4 | 35.5 | 0 | 0 | 0 | 113.4 | L642 M644 M661 | L642-N646 WeakPolarHBondContact O-CB 3.23Å; L642-N646 PolarHBondContact O-N 2.93Å; M644-N646 PolarHBondContact O-N 2.83Å; N646-M661 HydrophobicContact CB-CE 3.56Å |
| 647 | K | 82.8 | Confident | 88.9 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 41% | 0.413 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 11.9 | 174 | -57.1 | -168 | 178 | -146.2 | 0 | 112.5 | H51 M644 L645 | H51-K647 HydrophobicContact CB-CD 3.86Å; H51-K647 VanDerWaalsContact CB-NZ 3.29Å; H51-K647 PolarHBondContact O-NZ 3.26Å; M644-K647 PolarHBondContact O-N 2.77Å; L645-K647 PolarHBondContact O-N 2.82Å; L645-K647 VanDerWaalsContact O-N 3.14Å |
| 648 | D | 82.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | trans | -65.3 | 152.6 | 177.5 | -151.7 | -68.8 | 0 | 0 | 0 | 110.7 | R604 L645 D650 I653 | R604-D648 IonicContact CZ-OD2 3.27Å; R604-D648 IonicContact NE-OD2 2.7Å; R604-D648 PolarHBondContact NE-OD2 3.1Å; R604-D648 IonicContact NH2-OD1 3.56Å; R604-D648 PolarHBondContact NH2-OD1 2.76Å; R604-D648 IonicContact NH2-OD2 2.78Å; R604-D648 PolarHBondContact NH2-OD2 3.05Å; L645-D648 WeakPolarHBondContact O-CB 3.38Å; L645-D648 PolarHBondContact O-N 3.28Å; L645-D648 VanDerWaalsContact O-N 3.08Å; D648-D650 VanDerWaalsContact C-N 3.27Å; D648-D650 PolarHBondContact OD1-N 3.42Å; D648-D650 VanDerWaalsContact OD1-N 3.09Å; D648-I653 HydrophobicContact CB-CG2 4.19Å | ||
| 649 | T | 82.2 | Confident | 88.5 | Confident | 140 Ų | 140 | 47.8 Ų | 47.8 | 86% | 0.859 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -71.1 | -26.2 | 175 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | E651 | T649-E651 PolarHBondContact O-N 2.96Š|
| 650 | D | 84.5 | Confident | 88.4 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | trans | -82.2 | 113.2 | 177.5 | -172.6 | -20.9 | 0 | 0 | 0 | 111.2 | D648 S652 I653 K654 | D648-D650 VanDerWaalsContact C-N 3.27Å; D648-D650 PolarHBondContact OD1-N 3.42Å; D648-D650 VanDerWaalsContact OD1-N 3.09Å; D650-S652 VanDerWaalsContact CG-OG 3.24Å; D650-S652 PolarHBondContact O-N 2.8Å; D650-S652 VanDerWaalsContact OD1-CB 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 3.49Å; D650-S652 PolarHBondContact OD1-N 3.01Å; D650-S652 PolarHBondContact OD1-OG 2.88Å; D650-S652 PolarHBondContact OD2-OG 2.87Å; D650-I653 HydrophobicContact CB-CB 4.15Å; D650-I653 HydrophobicContact CB-CD1 3.93Å; D650-I653 HydrophobicContact CB-CG1 4Å; D650-I653 PolarHBondContact O-N 3.16Å; D650-K654 WeakPolarHBondContact O-CB 3.39Å; D650-K654 PolarHBondContact O-N 3.33Å | ||
| 651 | E | 87.8 | Confident | 88.3 | Confident | 119 Ų | 119 | 47.8 Ų | 47.8 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.1 | -27 | 178.7 | -73.6 | -62.9 | 153.9 | 0 | 0 | 113.3 | T649 K654 S655 | T649-E651 PolarHBondContact O-N 2.96Å; E651-K654 IonicContact OE1-NZ 3.53Å; E651-K654 PolarHBondContact OE1-NZ 3.21Å; E651-K654 IonicContact OE2-NZ 2.8Å; E651-K654 PolarHBondContact OE2-NZ 2.9Å; E651-S655 VanDerWaalsContact O-CB 3.28Å; E651-S655 WeakPolarHBondContact O-CB 3.17Å; E651-S655 PolarHBondContact O-N 3.35Å; E651-S655 PolarHBondContact O-OG 3.17Å |
| 652 | S | 86.1 | Confident | 88.1 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.2 | -43 | 176.3 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | D650 S655 R656 | D650-S652 VanDerWaalsContact CG-OG 3.24Å; D650-S652 PolarHBondContact O-N 2.8Å; D650-S652 VanDerWaalsContact OD1-CB 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 3.49Å; D650-S652 PolarHBondContact OD1-N 3.01Å; D650-S652 PolarHBondContact OD1-OG 2.88Å; D650-S652 PolarHBondContact OD2-OG 2.87Å; S652-S655 PolarHBondContact O-OG 3.26Å; S652-S655 VanDerWaalsContact O-OG 3.07Å; S652-R656 WeakPolarHBondContact O-CB 3.47Å; S652-R656 PolarHBondContact O-N 3.22Å |
| 653 | I | 86.4 | Confident | 88 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 175.9 | -64.7 | 180 | 0 | 0 | 0 | 109.7 | F613 L645 D648 D650 R656 A657 | F613-I653 HydrophobicContact CE1-CG1 4.2Å; F613-I653 HydrophobicContact CE1-CG2 4.3Å; F613-I653 HydrophobicContact CZ-CB 4.32Å; F613-I653 HydrophobicContact CZ-CG1 4.41Å; F613-I653 HydrophobicContact CZ-CG2 3.83Å; L645-I653 HydrophobicContact CB-CG2 4.25Å; L645-I653 HydrophobicContact CD2-CG2 3.93Å; D648-I653 HydrophobicContact CB-CG2 4.19Å; D650-I653 HydrophobicContact CB-CB 4.15Å; D650-I653 HydrophobicContact CB-CD1 3.93Å; D650-I653 HydrophobicContact CB-CG1 4Å; D650-I653 PolarHBondContact O-N 3.16Å; I653-R656 PolarHBondContact O-N 3.13Å; I653-A657 VanDerWaalsContact O-CB 3.27Å; I653-A657 WeakPolarHBondContact O-CB 3.47Å; I653-A657 PolarHBondContact O-N 2.8Å |
| 654 | K | 88.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 27% | 0.265 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | -179.4 | 175.1 | 176.4 | 163.1 | -157.1 | 0 | 112.8 | D650 E651 R656 A657 Q658 | D650-K654 WeakPolarHBondContact O-CB 3.39Å; D650-K654 PolarHBondContact O-N 3.33Å; E651-K654 IonicContact OE1-NZ 3.53Å; E651-K654 PolarHBondContact OE1-NZ 3.21Å; E651-K654 IonicContact OE2-NZ 2.8Å; E651-K654 PolarHBondContact OE2-NZ 2.9Å; K654-R656 PolarHBondContact O-N 2.73Å; K654-A657 PolarHBondContact O-N 2.88Å; K654-Q658 PolarHBondContact O-N 2.73Å |
| 655 | S | 88.4 | Confident | 88.3 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | E651 S652 Q658 L659 | E651-S655 VanDerWaalsContact O-CB 3.28Å; E651-S655 WeakPolarHBondContact O-CB 3.17Å; E651-S655 PolarHBondContact O-N 3.35Å; E651-S655 PolarHBondContact O-OG 3.17Å; S652-S655 PolarHBondContact O-OG 3.26Å; S652-S655 VanDerWaalsContact O-OG 3.07Å; S655-Q658 PolarHBondContact O-N 2.9Å; S655-L659 PolarHBondContact O-N 2.84Å; S655-L659 VanDerWaalsContact O-N 3.11Å |
| 656 | R | 88.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 174.3 | -174.2 | 65.4 | 63.1 | 142.5 | -1.4 | 111.7 | F613 D620 S621 S652 I653 K654 Q658 L659 W660 | F613-R656 HydrophobicContact CZ-CB 4.4Å; F613-R656 HydrophobicContact CZ-CG 4.3Å; D620-R656 IonicContact OD1-CZ 3.81Å; D620-R656 IonicContact OD1-NH1 2.95Å; D620-R656 PolarHBondContact OD1-NH1 3.34Å; D620-R656 IonicContact OD1-NH2 2.96Å; D620-R656 PolarHBondContact OD1-NH2 2.85Å; S621-R656 PolarHBondContact O-NH1 2.78Å; S652-R656 WeakPolarHBondContact O-CB 3.47Å; S652-R656 PolarHBondContact O-N 3.22Å; I653-R656 PolarHBondContact O-N 3.13Å; K654-R656 PolarHBondContact O-N 2.73Å; R656-Q658 VanDerWaalsContact C-N 3.32Å; R656-Q658 PolarHBondContact O-N 2.92Å; R656-L659 PolarHBondContact O-N 2.98Å; R656-W660 HydrophobicContact CG-CD2 4.18Å; R656-W660 HydrophobicContact CG-CH2 4.39Å; R656-W660 HydrophobicContact CG-CZ2 3.98Å; R656-W660 PolarHBondContact O-N 3.27Å |
| 657 | A | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L642 L645 I653 K654 W660 M661 | L642-A657 HydrophobicContact CD2-CB 4.13Å; L645-A657 HydrophobicContact CB-CB 3.75Å; I653-A657 VanDerWaalsContact O-CB 3.27Å; I653-A657 WeakPolarHBondContact O-CB 3.47Å; I653-A657 PolarHBondContact O-N 2.8Å; K654-A657 PolarHBondContact O-N 2.88Å; A657-W660 PolarHBondContact O-N 3.06Å; A657-M661 WeakPolarHBondContact O-CB 3.01Å; A657-M661 PolarHBondContact O-N 3.32Å |
| 658 | Q | 90.5 | Very high | 89.2 | Confident | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.6 | -174.1 | 175.8 | -3.7 | 0 | 0 | 112.7 | K654 S655 R656 M661 T662 | K654-Q658 PolarHBondContact O-N 2.73Å; S655-Q658 PolarHBondContact O-N 2.9Å; R656-Q658 VanDerWaalsContact C-N 3.32Å; R656-Q658 PolarHBondContact O-N 2.92Å; Q658-M661 PolarHBondContact O-N 2.9Å; Q658-T662 PolarHBondContact O-N 3Å; Q658-T662 PolarHBondContact O-OG1 2.82Å |
| 659 | L | 89 | Confident | 89.6 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 44% | 0.44 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 174.8 | 179.3 | 67.3 | 0 | 0 | 0 | 110.8 | S655 R656 M661 T662 S663 | S655-L659 PolarHBondContact O-N 2.84Å; S655-L659 VanDerWaalsContact O-N 3.11Å; R656-L659 PolarHBondContact O-N 2.98Å; L659-M661 VanDerWaalsContact C-N 3.33Å; L659-M661 PolarHBondContact O-N 2.85Å; L659-T662 PolarHBondContact O-N 2.79Å; L659-S663 PolarHBondContact O-N 2.81Å; L659-S663 VanDerWaalsContact O-N 3.13Å; L659-S663 PolarHBondContact O-OG 3.35Å |
| 660 | W | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 179.8 | -72.7 | -0.4 | 0 | 0 | 0 | 112.9 | F613 A616 S621 P624 W627 L642 R656 A657 T662 S663 L664 | F613-W660 HydrophobicContact CD2-CE3 4.21Å; F613-W660 HydrophobicContact CD2-CH2 4.11Å; F613-W660 AromaticContact CD2-CZ3 3.46Å; F613-W660 HydrophobicContact CD2-CZ3 3.46Å; F613-W660 VanDerWaalsContact CD2-CZ3 3.46Å; F613-W660 HydrophobicContact CE2-CE3 4.25Å; F613-W660 HydrophobicContact CE2-CH2 4.41Å; F613-W660 AromaticContact CE2-CZ3 3.81Å; F613-W660 HydrophobicContact CE2-CZ3 3.81Å; F613-W660 HydrophobicContact CG-CZ3 4.21Å; A616-W660 HydrophobicContact CB-CH2 3.6Å; A616-W660 HydrophobicContact CB-CZ2 3.78Å; S621-W660 PolarHBondContact O-NE1 2.96Å; P624-W660 HydrophobicContact CG-CD2 4.13Å; P624-W660 HydrophobicContact CG-CE3 4.14Å; P624-W660 HydrophobicContact CG-CH2 4.05Å; P624-W660 HydrophobicContact CG-CZ2 3.99Å; P624-W660 HydrophobicContact CG-CZ3 4.09Å; W627-W660 AromaticContact CH2-CE3 3.94Å; W627-W660 HydrophobicContact CH2-CE3 3.94Å; W627-W660 HydrophobicContact CZ2-CE3 4.25Å; W627-W660 HydrophobicContact CZ2-CZ3 4.47Å; L642-W660 HydrophobicContact CD1-CB 4.05Å; L642-W660 HydrophobicContact CD2-CB 4.3Å; L642-W660 HydrophobicContact CD2-CE3 4.2Å; R656-W660 HydrophobicContact CG-CD2 4.18Å; R656-W660 HydrophobicContact CG-CH2 4.39Å; R656-W660 HydrophobicContact CG-CZ2 3.98Å; R656-W660 PolarHBondContact O-N 3.27Å; A657-W660 PolarHBondContact O-N 3.06Å; W660-T662 VanDerWaalsContact C-N 3.3Å; W660-T662 PolarHBondContact O-N 2.9Å; W660-S663 PolarHBondContact O-N 3.13Å; W660-L664 WeakPolarHBondContact O-CB 3.34Å; W660-L664 PolarHBondContact O-N 3.13Å |
| 661 | M | 91.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.1 | -128.7 | -170.6 | -56.8 | 0 | 0 | 111.2 | L642 C643 N646 A657 Q658 L659 L664 D665 | L642-M661 HydrophobicContact CB-CE 4.33Å; L642-M661 HydrophobicContact CB-CG 3.85Å; L642-M661 HydrophobicContact CD1-CB 4.37Å; L642-M661 HydrophobicContact CD1-CG 4.17Å; L642-M661 WeakPolarHBondContact O-CE 3.27Å; C643-M661 VanDerWaalsContact SG-SD 3.65Å; N646-M661 HydrophobicContact CB-CE 3.56Å; A657-M661 WeakPolarHBondContact O-CB 3.01Å; A657-M661 PolarHBondContact O-N 3.32Å; Q658-M661 PolarHBondContact O-N 2.9Å; L659-M661 VanDerWaalsContact C-N 3.33Å; L659-M661 PolarHBondContact O-N 2.85Å; M661-L664 PolarHBondContact O-N 3.27Å; M661-D665 WeakPolarHBondContact O-CB 3.34Å; M661-D665 PolarHBondContact O-N 2.94Å |
| 662 | T | 89.7 | Confident | 90.9 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | Q658 L659 W660 L664 D665 N666 | Q658-T662 PolarHBondContact O-N 3Å; Q658-T662 PolarHBondContact O-OG1 2.82Å; L659-T662 PolarHBondContact O-N 2.79Å; W660-T662 VanDerWaalsContact C-N 3.3Å; W660-T662 PolarHBondContact O-N 2.9Å; T662-L664 VanDerWaalsContact C-N 3.34Å; T662-L664 PolarHBondContact O-N 3.44Å; T662-D665 PolarHBondContact O-N 3.47Å; T662-N666 PolarHBondContact O-N 2.8Å; T662-N666 VanDerWaalsContact O-N 3.11Å |
| 663 | S | 90.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | L659 W660 N666 F667 F761 | L659-S663 PolarHBondContact O-N 2.81Å; L659-S663 VanDerWaalsContact O-N 3.13Å; L659-S663 PolarHBondContact O-OG 3.35Å; W660-S663 PolarHBondContact O-N 3.13Å; S663-N666 WeakPolarHBondContact O-CB 3.16Å; S663-N666 PolarHBondContact O-N 3.05Å; S663-F667 PolarHBondContact O-N 2.99Å; S663-F761 WeakPolarHBondContact O-CE2 3.23Å |
| 664 | L | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 178.6 | -177.4 | 59.2 | 0 | 0 | 0 | 112.4 | F623 W627 L635 R639 L642 W660 M661 T662 N666 F667 I668 | F623-L664 HydrophobicContact CE2-CB 4.14Å; F623-L664 HydrophobicContact CE2-CD1 4.22Å; F623-L664 HydrophobicContact CZ-CD1 4.29Å; W627-L664 HydrophobicContact CE3-CD1 4.11Å; W627-L664 HydrophobicContact CZ3-CB 4.47Å; W627-L664 HydrophobicContact CZ3-CD1 4.36Å; W627-L664 HydrophobicContact CZ3-CD2 4.02Å; L635-L664 HydrophobicContact CB-CD1 4.14Å; L635-L664 HydrophobicContact CD2-CD1 3.94Å; L635-L664 HydrophobicContact CG-CD1 4.47Å; R639-L664 HydrophobicContact CB-CD2 3.61Å; R639-L664 HydrophobicContact CG-CD2 4.14Å; L642-L664 HydrophobicContact CD1-CD2 3.95Å; W660-L664 WeakPolarHBondContact O-CB 3.34Å; W660-L664 PolarHBondContact O-N 3.13Å; M661-L664 PolarHBondContact O-N 3.27Å; T662-L664 VanDerWaalsContact C-N 3.34Å; T662-L664 PolarHBondContact O-N 3.44Å; L664-N666 VanDerWaalsContact C-N 3.32Å; L664-N666 PolarHBondContact O-N 2.85Å; L664-F667 HydrophobicContact CD1-CD1 4.44Å; L664-F667 PolarHBondContact O-N 3.21Å; L664-I668 HydrophobicContact CD1-CD1 4.24Å; L664-I668 HydrophobicContact CD1-CG1 4.32Å; L664-I668 HydrophobicContact CG-CD1 4.04Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 2.81Å |
| 665 | D | 92.5 | Very high | 91.9 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.1 | -83.4 | 2.5 | 0 | 0 | 0 | 110.5 | R639 M661 T662 F667 I668 Q669 R843 Y868 | R639-D665 IonicContact CZ-OD1 3.49Å; R639-D665 IonicContact CZ-OD2 3.5Å; R639-D665 IonicContact NE-OD1 3.94Å; R639-D665 PolarHBondContact NE-OD1 2.81Å; R639-D665 IonicContact NE-OD2 3.83Å; R639-D665 IonicContact NH2-OD1 3.48Å; R639-D665 PolarHBondContact NH2-OD1 3.16Å; R639-D665 IonicContact NH2-OD2 2.7Å; R639-D665 PolarHBondContact NH2-OD2 2.86Å; M661-D665 WeakPolarHBondContact O-CB 3.34Å; M661-D665 PolarHBondContact O-N 2.94Å; T662-D665 PolarHBondContact O-N 3.47Å; D665-F667 VanDerWaalsContact C-N 3.32Å; D665-F667 PolarHBondContact O-N 2.99Å; D665-I668 PolarHBondContact O-N 3.15Å; D665-Q669 WeakPolarHBondContact O-CB 3.42Å; D665-Q669 PolarHBondContact O-N 3.46Å; D665-R843 IonicContact OD2-NH2 3.84Å; D665-Y868 HydrophobicContact CB-CD1 4.37Å; D665-Y868 HydrophobicContact CB-CE1 4.24Å; D665-Y868 WeakPolarHBondContact O-CE1 3.37Å |
| 666 | N | 90.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.7 | -71 | -17 | 0 | 0 | 0 | 111.7 | T662 S663 L664 Q669 Q670 F761 | T662-N666 PolarHBondContact O-N 2.8Å; T662-N666 VanDerWaalsContact O-N 3.11Å; S663-N666 WeakPolarHBondContact O-CB 3.16Å; S663-N666 PolarHBondContact O-N 3.05Å; L664-N666 VanDerWaalsContact C-N 3.32Å; L664-N666 PolarHBondContact O-N 2.85Å; N666-Q669 PolarHBondContact O-N 2.79Å; N666-Q670 VanDerWaalsContact O-CG 3.28Å; N666-Q670 WeakPolarHBondContact O-CG 3.49Å; N666-Q670 PolarHBondContact O-N 3Å; N666-F761 HydrophobicContact CB-CE2 4.37Å |
| 667 | F | 93.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 178.3 | -180 | -141.1 | 0 | 0 | 0 | 112.7 | F623 L628 L635 S663 L664 D665 Q669 Q670 R671 F761 V762 | F623-F667 HydrophobicContact CE1-CD1 4.25Å; F623-F667 HydrophobicContact CZ-CB 4.36Å; F623-F667 AromaticContact CZ-CD1 3.81Å; F623-F667 HydrophobicContact CZ-CD1 3.81Å; F623-F667 HydrophobicContact CZ-CG 4.36Å; L628-F667 HydrophobicContact CD2-CE1 4.34Å; L628-F667 HydrophobicContact CD2-CE2 4.17Å; L628-F667 HydrophobicContact CD2-CZ 4.03Å; L635-F667 HydrophobicContact CD1-CD1 3.83Å; L635-F667 HydrophobicContact CD1-CE1 3.5Å; L635-F667 HydrophobicContact CD1-CZ 4.42Å; L635-F667 HydrophobicContact CD2-CE1 4.31Å; S663-F667 PolarHBondContact O-N 2.99Å; L664-F667 HydrophobicContact CD1-CD1 4.44Å; L664-F667 PolarHBondContact O-N 3.21Å; D665-F667 VanDerWaalsContact C-N 3.32Å; D665-F667 PolarHBondContact O-N 2.99Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 3.21Å; F667-Q670 PolarHBondContact O-N 3.13Å; F667-R671 HydrophobicContact CD2-CG 4.1Å; F667-R671 HydrophobicContact CE2-CG 3.73Å; F667-R671 HydrophobicContact CZ-CG 4.15Å; F667-R671 PolarHBondContact O-N 3.41Å; F667-F761 HydrophobicContact CB-CD2 3.72Å; F667-F761 HydrophobicContact CB-CE2 4.15Å; F667-F761 HydrophobicContact CB-CG 4.21Å; F667-F761 HydrophobicContact CD2-CB 3.42Å; F667-F761 VanDerWaalsContact CD2-CB 3.42Å; F667-F761 HydrophobicContact CD2-CD2 4.23Å; F667-F761 HydrophobicContact CD2-CG 4Å; F667-F761 HydrophobicContact CE2-CB 3.88Å; F667-F761 HydrophobicContact CG-CB 4.21Å; F667-F761 HydrophobicContact CG-CD2 4.31Å; F667-F761 HydrophobicContact CG-CG 4.31Å; F667-V762 HydrophobicContact CD2-CG2 4.44Å; F667-V762 HydrophobicContact CE2-CG2 4.11Å |
| 668 | I | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 176.9 | -70.9 | 170.6 | 0 | 0 | 0 | 110.4 | L632 L635 L664 D665 Q670 R671 H672 I867 Y868 | L632-I668 HydrophobicContact CD1-CG1 4.16Å; L632-I668 HydrophobicContact CD1-CG2 3.98Å; L635-I668 HydrophobicContact CB-CD1 4.42Å; L635-I668 HydrophobicContact CB-CG1 4.44Å; L664-I668 HydrophobicContact CD1-CD1 4.24Å; L664-I668 HydrophobicContact CD1-CG1 4.32Å; L664-I668 HydrophobicContact CG-CD1 4.04Å; L664-I668 WeakPolarHBondContact O-CG1 3.38Å; L664-I668 PolarHBondContact O-N 2.81Å; D665-I668 PolarHBondContact O-N 3.15Å; I668-Q670 PolarHBondContact O-N 2.86Å; I668-R671 PolarHBondContact O-N 2.88Å; I668-H672 PolarHBondContact O-N 2.71Å; I668-I867 WeakPolarHBondContact CG2-O 3.37Å; I668-Y868 HydrophobicContact CB-CD1 4.03Å; I668-Y868 HydrophobicContact CB-CE1 4.3Å; I668-Y868 HydrophobicContact CG2-CD1 3.69Å; I668-Y868 HydrophobicContact CG2-CE1 4.08Å |
| 669 | Q | 92.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.8 | -169 | 171.7 | 40.1 | 0 | 0 | 111.5 | D665 N666 F667 R671 H672 L673 L809 Y868 | D665-Q669 WeakPolarHBondContact O-CB 3.42Å; D665-Q669 PolarHBondContact O-N 3.46Å; N666-Q669 PolarHBondContact O-N 2.79Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 3.21Å; Q669-R671 PolarHBondContact O-N 2.94Å; Q669-H672 WeakPolarHBondContact O-CB 3.25Å; Q669-H672 PolarHBondContact O-N 2.99Å; Q669-L673 WeakPolarHBondContact O-CG 3.46Å; Q669-L673 PolarHBondContact O-N 2.76Å; Q669-L809 HydrophobicContact CG-CD1 4.4Å; Q669-L809 PolarHBondContact NE2-O 2.73Å; Q669-L809 VanDerWaalsContact NE2-O 3.14Å; Q669-Y868 HydrophobicContact CB-CE1 4.25Å |
| 670 | Q | 92.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.2 | -73.5 | 174.3 | 33.7 | 0 | 0 | 112.5 | N666 F667 I668 H672 L673 E674 F706 I759 V762 L765 | N666-Q670 VanDerWaalsContact O-CG 3.28Å; N666-Q670 WeakPolarHBondContact O-CG 3.49Å; N666-Q670 PolarHBondContact O-N 3Å; F667-Q670 PolarHBondContact O-N 3.13Å; I668-Q670 PolarHBondContact O-N 2.86Å; Q670-H672 VanDerWaalsContact C-N 3.31Å; Q670-H672 PolarHBondContact O-N 3.22Å; Q670-L673 PolarHBondContact O-N 2.92Å; Q670-E674 WeakPolarHBondContact O-CB 3.48Å; Q670-E674 PolarHBondContact O-N 2.83Å; Q670-F706 HydrophobicContact CG-CZ 4.33Å; Q670-I759 PolarHBondContact NE2-O 3.28Å; Q670-V762 HydrophobicContact CB-CG2 3.97Å; Q670-L765 HydrophobicContact CB-CD2 3.87Å; Q670-L765 HydrophobicContact CG-CD2 3.77Å |
| 671 | R | 93.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 28.7 Ų | 28.7 | 29% | 0.287 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.8 | -35.6 | 175.3 | -69.5 | -167.1 | 74.6 | 165.4 | 6.9 | 112.8 | K630 F667 I668 Q669 R675 V762 | K630-R671 PolarHBondContact O-NH1 2.77Å; F667-R671 HydrophobicContact CD2-CG 4.1Å; F667-R671 HydrophobicContact CE2-CG 3.73Å; F667-R671 HydrophobicContact CZ-CG 4.15Å; F667-R671 PolarHBondContact O-N 3.41Å; I668-R671 PolarHBondContact O-N 2.88Å; Q669-R671 PolarHBondContact O-N 2.94Å; R671-R675 WeakPolarHBondContact O-CB 3.49Å; R671-R675 PolarHBondContact O-N 2.86Å; R671-V762 HydrophobicContact CG-CG2 4.15Å |
| 672 | H | 94 | Very high | 93.2 | Very high | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 173.9 | 179.7 | 66.1 | 0 | 0 | 0 | 111.3 | I668 Q669 Q670 R675 C676 Q825 I867 | I668-H672 PolarHBondContact O-N 2.71Å; Q669-H672 WeakPolarHBondContact O-CB 3.25Å; Q669-H672 PolarHBondContact O-N 2.99Å; Q670-H672 VanDerWaalsContact C-N 3.31Å; Q670-H672 PolarHBondContact O-N 3.22Å; H672-R675 WeakPolarHBondContact O-CB 3.1Å; H672-R675 PolarHBondContact O-N 2.83Å; H672-C676 VanDerWaalsContact CE1-SG 3.54Å; H672-C676 PolarHBondContact NE2-SG 2.99Å; H672-C676 PolarHBondContact O-N 2.84Å; H672-C676 PolarHBondContact O-SG 3.14Å; H672-Q825 WeakPolarHBondContact NE2-CA 3.31Å; H672-Q825 PolarHBondContact NE2-O 2.87Å; H672-I867 HydrophobicContact CB-CD1 4Å |
| 673 | L | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.9 | -67.6 | 172.6 | 0 | 0 | 0 | 112.1 | Q669 Q670 R675 C676 Y677 M698 L765 L809 L827 | Q669-L673 WeakPolarHBondContact O-CG 3.46Å; Q669-L673 PolarHBondContact O-N 2.76Å; Q670-L673 PolarHBondContact O-N 2.92Å; L673-R675 VanDerWaalsContact C-N 3.29Å; L673-R675 PolarHBondContact O-N 3.08Å; L673-C676 WeakPolarHBondContact O-CB 3.4Å; L673-C676 PolarHBondContact O-N 3.09Å; L673-C676 VanDerWaalsContact O-N 3.1Å; L673-Y677 HydrophobicContact CB-CE2 4.16Å; L673-Y677 WeakPolarHBondContact O-CB 3.24Å; L673-Y677 WeakPolarHBondContact O-CD2 3.39Å; L673-Y677 VanDerWaalsContact O-CG 3.23Å; L673-Y677 PolarHBondContact O-N 3.21Å; L673-M698 HydrophobicContact CD2-CE 3.65Å; L673-L765 HydrophobicContact CB-CD1 4.01Å; L673-L809 HydrophobicContact CD1-CD1 4.31Å; L673-L809 HydrophobicContact CD1-CD2 4.34Å; L673-L827 HydrophobicContact CD1-CD1 4.27Å; L673-L827 HydrophobicContact CD2-CD1 3.6Å; L673-L827 HydrophobicContact CD2-CG 4.08Å |
| 674 | E | 94.5 | Very high | 92.7 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -47.7 | 173.8 | -169.3 | -161.7 | 169.4 | 0 | 0 | 111 | Q670 C676 Y677 R678 V762 L765 L768 | Q670-E674 WeakPolarHBondContact O-CB 3.48Å; Q670-E674 PolarHBondContact O-N 2.83Å; E674-C676 PolarHBondContact O-N 2.81Å; E674-Y677 PolarHBondContact O-N 3.3Å; E674-R678 WeakPolarHBondContact O-CB 3.17Å; E674-R678 WeakPolarHBondContact O-CG 3.1Å; E674-R678 PolarHBondContact O-N 3.45Å; E674-R678 IonicContact OE1-CZ 3.63Å; E674-R678 VanDerWaalsContact OE1-CZ 3.23Å; E674-R678 IonicContact OE1-NE 2.83Å; E674-R678 PolarHBondContact OE1-NE 2.88Å; E674-R678 IonicContact OE1-NH2 3.17Å; E674-R678 PolarHBondContact OE1-NH2 3.03Å; E674-V762 HydrophobicContact CB-CG1 4.35Å; E674-V762 HydrophobicContact CG-CG1 4.12Å; E674-L765 HydrophobicContact CB-CD1 4.2Å; E674-L768 HydrophobicContact CG-CD1 3.71Å |
| 675 | R | 94 | Very high | 92.3 | Very high | 122 Ų | 122 | 40.1 Ų | 40.1 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 175.5 | 178.5 | -174.6 | 173 | -157.1 | -3.2 | 111.5 | R671 H672 L673 Y677 R678 L679 | R671-R675 WeakPolarHBondContact O-CB 3.49Å; R671-R675 PolarHBondContact O-N 2.86Å; H672-R675 WeakPolarHBondContact O-CB 3.1Å; H672-R675 PolarHBondContact O-N 2.83Å; L673-R675 VanDerWaalsContact C-N 3.29Å; L673-R675 PolarHBondContact O-N 3.08Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; R675-Y677 PolarHBondContact O-N 3.34Å; R675-R678 PolarHBondContact O-N 3.27Å; R675-L679 HydrophobicContact CG-CD1 3.93Å; R675-L679 HydrophobicContact CG-CG 4.37Å; R675-L679 VanDerWaalsContact O-CB 3.31Å; R675-L679 WeakPolarHBondContact O-CB 3.44Å; R675-L679 VanDerWaalsContact O-CG 3.23Å; R675-L679 WeakPolarHBondContact O-CG 3.25Å; R675-L679 PolarHBondContact O-N 2.97Å |
| 676 | C | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 179.4 | -67 | 0 | 0 | 0 | 0 | 111.7 | H672 L673 E674 L679 F680 M698 W857 I861 | H672-C676 VanDerWaalsContact CE1-SG 3.54Å; H672-C676 PolarHBondContact NE2-SG 2.99Å; H672-C676 PolarHBondContact O-N 2.84Å; H672-C676 PolarHBondContact O-SG 3.14Å; L673-C676 WeakPolarHBondContact O-CB 3.4Å; L673-C676 PolarHBondContact O-N 3.09Å; L673-C676 VanDerWaalsContact O-N 3.1Å; E674-C676 PolarHBondContact O-N 2.81Å; C676-L679 PolarHBondContact O-N 2.88Å; C676-F680 WeakPolarHBondContact O-CB 2.72Å; C676-F680 PolarHBondContact O-N 2.77Å; C676-M698 HydrophobicContact CB-CE 4.09Å; C676-W857 PolarHBondContact O-NE1 2.95Å; C676-I861 HydrophobicContact CB-CD1 3.72Å; C676-I861 HydrophobicContact CB-CG1 4.33Å |
| 677 | Y | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -50.2 | 179.3 | -66.7 | -18.9 | 0 | 0 | 0 | 112.1 | L673 E674 R675 L679 F680 L681 M698 A699 T702 L765 L768 A769 V772 | L673-Y677 HydrophobicContact CB-CE2 4.16Å; L673-Y677 WeakPolarHBondContact O-CB 3.24Å; L673-Y677 WeakPolarHBondContact O-CD2 3.39Å; L673-Y677 VanDerWaalsContact O-CG 3.23Å; L673-Y677 PolarHBondContact O-N 3.21Å; E674-Y677 PolarHBondContact O-N 3.3Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; R675-Y677 PolarHBondContact O-N 3.34Å; Y677-L679 VanDerWaalsContact C-N 3.29Å; Y677-L679 PolarHBondContact O-N 2.78Å; Y677-F680 WeakPolarHBondContact O-CB 3.08Å; Y677-F680 PolarHBondContact O-N 2.88Å; Y677-F680 VanDerWaalsContact O-N 3.07Å; Y677-L681 WeakPolarHBondContact O-CG 3.29Å; Y677-L681 PolarHBondContact O-N 3.29Å; Y677-M698 HydrophobicContact CE1-CB 4.13Å; Y677-M698 HydrophobicContact CE1-CE 4.49Å; Y677-M698 PolarHBondContact OH-O 2.96Å; Y677-A699 WeakPolarHBondContact OH-CA 3.11Å; Y677-A699 PolarHBondContact OH-N 3.2Å; Y677-T702 HydrophobicContact CE2-CG2 4.42Å; Y677-T702 PolarHBondContact OH-OG1 3.33Å; Y677-L765 HydrophobicContact CD2-CD1 3.88Å; Y677-L765 HydrophobicContact CE2-CD1 3.84Å; Y677-L768 HydrophobicContact CD2-CB 4.3Å; Y677-A769 HydrophobicContact CD2-CB 4.36Å; Y677-A769 HydrophobicContact CE2-CB 3.78Å; Y677-V772 HydrophobicContact CD1-CB 4.32Å; Y677-V772 HydrophobicContact CD1-CG1 3.91Å; Y677-V772 HydrophobicContact CD1-CG2 4.33Å; Y677-V772 HydrophobicContact CE1-CG1 4.46Å; Y677-V772 HydrophobicContact CG-CB 4.48Å; Y677-V772 HydrophobicContact CG-CG2 4.19Å |
| 678 | R | 94.9 | Very high | 91.5 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 176.2 | -69.3 | -174.3 | -171.2 | -87 | 3 | 111.8 | E674 R675 L681 K682 D764 L768 | E674-R678 WeakPolarHBondContact O-CB 3.17Å; E674-R678 WeakPolarHBondContact O-CG 3.1Å; E674-R678 PolarHBondContact O-N 3.45Å; E674-R678 IonicContact OE1-CZ 3.63Å; E674-R678 VanDerWaalsContact OE1-CZ 3.23Å; E674-R678 IonicContact OE1-NE 2.83Å; E674-R678 PolarHBondContact OE1-NE 2.88Å; E674-R678 IonicContact OE1-NH2 3.17Å; E674-R678 PolarHBondContact OE1-NH2 3.03Å; R675-R678 PolarHBondContact O-N 3.27Å; R678-L681 PolarHBondContact O-N 2.92Å; R678-K682 PolarHBondContact O-N 3.48Å; R678-D764 IonicContact NH2-OD2 2.76Å; R678-L768 HydrophobicContact CG-CD1 4.29Å; R678-L768 HydrophobicContact CG-CD2 4.32Å |
| 679 | L | 92.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.8 | -75.4 | 175.3 | 0 | 0 | 0 | 112.2 | R675 C676 Y677 L681 K682 M860 | R675-L679 HydrophobicContact CG-CD1 3.93Å; R675-L679 HydrophobicContact CG-CG 4.37Å; R675-L679 VanDerWaalsContact O-CB 3.31Å; R675-L679 WeakPolarHBondContact O-CB 3.44Å; R675-L679 VanDerWaalsContact O-CG 3.23Å; R675-L679 WeakPolarHBondContact O-CG 3.25Å; R675-L679 PolarHBondContact O-N 2.97Å; C676-L679 PolarHBondContact O-N 2.88Å; Y677-L679 VanDerWaalsContact C-N 3.29Å; Y677-L679 PolarHBondContact O-N 2.78Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 2.93Å; L679-K682 HydrophobicContact CD2-CD 4.33Å; L679-K682 PolarHBondContact O-N 3.34Å; L679-M860 HydrophobicContact CD1-CB 4.38Å; L679-M860 HydrophobicContact CD1-CE 4.36Å; L679-M860 HydrophobicContact CD2-CE 3.68Å |
| 680 | F | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 176.2 | -165.5 | -98.9 | 0 | 0 | 0 | 112.1 | C676 Y677 K682 R687 D691 V695 V772 L775 A776 L779 W857 | C676-F680 WeakPolarHBondContact O-CB 2.72Å; C676-F680 PolarHBondContact O-N 2.77Å; Y677-F680 WeakPolarHBondContact O-CB 3.08Å; Y677-F680 PolarHBondContact O-N 2.88Å; Y677-F680 VanDerWaalsContact O-N 3.07Å; F680-K682 VanDerWaalsContact C-N 3.32Å; F680-K682 PolarHBondContact O-N 2.98Å; F680-R687 HydrophobicContact CD2-CG 4.23Å; F680-R687 HydrophobicContact CE2-CB 4.48Å; F680-R687 HydrophobicContact CE2-CG 3.94Å; F680-R687 PolarHBondContact O-NE 2.95Å; F680-R687 PolarHBondContact O-NH1 3.27Å; F680-R687 PolarHBondContact O-NH2 3.18Å; F680-D691 HydrophobicContact CE2-CB 4.33Å; F680-V695 HydrophobicContact CD1-CG1 3.95Å; F680-V695 HydrophobicContact CD2-CB 4.27Å; F680-V695 HydrophobicContact CD2-CG1 4.17Å; F680-V695 HydrophobicContact CD2-CG2 3.64Å; F680-V695 HydrophobicContact CE1-CG1 4.1Å; F680-V695 HydrophobicContact CE2-CB 4.12Å; F680-V695 HydrophobicContact CE2-CG1 4.29Å; F680-V695 HydrophobicContact CE2-CG2 3.76Å; F680-V695 HydrophobicContact CG-CG1 3.97Å; F680-V695 HydrophobicContact CG-CG2 4.19Å; F680-V695 HydrophobicContact CZ-CB 4.3Å; F680-V695 HydrophobicContact CZ-CG1 4.25Å; F680-V695 HydrophobicContact CZ-CG2 4.43Å; F680-V772 HydrophobicContact CB-CG1 4.47Å; F680-V772 HydrophobicContact CD1-CG1 3.9Å; F680-V772 HydrophobicContact CG-CG1 4.41Å; F680-L775 HydrophobicContact CD1-CD2 4.38Å; F680-L775 HydrophobicContact CE1-CD2 4.43Å; F680-L775 HydrophobicContact CE1-CG 4.44Å; F680-A776 HydrophobicContact CE1-CB 4.04Å; F680-A776 HydrophobicContact CZ-CB 4.2Å; F680-L779 HydrophobicContact CE1-CD1 4.32Å; F680-L779 HydrophobicContact CZ-CD1 4.31Å; F680-W857 AromaticContact CD2-CD1 3.82Å; F680-W857 AromaticContact CD2-CD2 3.91Å; F680-W857 HydrophobicContact CD2-CD2 3.91Å; F680-W857 AromaticContact CD2-CE2 3.65Å; F680-W857 AromaticContact CD2-CG 3.99Å; F680-W857 HydrophobicContact CD2-CG 3.99Å; F680-W857 HydrophobicContact CD2-CZ2 4.26Å; F680-W857 AromaticContact CD2-NE1 3.59Å; F680-W857 AromaticContact CG-NE1 3.97Å |
| 681 | L | 93 | Very high | 90.5 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 34% | 0.335 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.9 | -23.9 | 178.6 | -67.1 | 174.6 | 0 | 0 | 0 | 113.3 | Y677 R678 L679 S683 L768 V772 L775 | Y677-L681 WeakPolarHBondContact O-CG 3.29Å; Y677-L681 PolarHBondContact O-N 3.29Å; R678-L681 PolarHBondContact O-N 2.92Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 2.93Å; L681-S683 PolarHBondContact O-N 3.1Å; L681-L768 HydrophobicContact CD1-CD2 4.04Å; L681-V772 HydrophobicContact CD1-CG2 3.92Å; L681-V772 HydrophobicContact CD2-CG2 3.55Å; L681-V772 HydrophobicContact CG-CG2 3.5Å; L681-L775 HydrophobicContact CD2-CD2 3.71Å |
| 682 | K | 92.3 | Very high | 90.3 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | trans | -64.7 | 120.1 | -179 | -72.1 | -178 | -178.8 | -173.4 | 0 | 112.3 | R678 L679 F680 S684 V685 R687 | R678-K682 PolarHBondContact O-N 3.48Å; L679-K682 HydrophobicContact CD2-CD 4.33Å; L679-K682 PolarHBondContact O-N 3.34Å; F680-K682 VanDerWaalsContact C-N 3.32Å; F680-K682 PolarHBondContact O-N 2.98Å; K682-S684 PolarHBondContact O-N 3.15Å; K682-V685 HydrophobicContact CB-CG2 3.89Å; K682-V685 PolarHBondContact O-N 3.11Å; K682-V685 VanDerWaalsContact O-N 3.16Å; K682-R687 VanDerWaalsContact C-NH2 3.28Å; K682-R687 PolarHBondContact O-NH2 3.2Å | ||
| 683 | S | 84.5 | Confident | 90 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 85% | 0.853 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.8 | -179.5 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | L681 V685 | L681-S683 PolarHBondContact O-N 3.1Å; S683-V685 VanDerWaalsContact C-N 3.29Å; S683-V685 PolarHBondContact O-N 3.29Å |
| 684 | S | 85.7 | Confident | 89.8 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.8 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | K682 | K682-S684 PolarHBondContact O-N 3.15Š|
| 685 | V | 84.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -86.3 | 118.7 | -176.5 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | K682 S683 R687 A856 W857 M860 | K682-V685 HydrophobicContact CB-CG2 3.89Å; K682-V685 PolarHBondContact O-N 3.11Å; K682-V685 VanDerWaalsContact O-N 3.16Å; S683-V685 VanDerWaalsContact C-N 3.29Å; S683-V685 PolarHBondContact O-N 3.29Å; V685-R687 PolarHBondContact O-NE 3.37Å; V685-R687 VanDerWaalsContact O-NE 3.11Å; V685-A856 HydrophobicContact CG1-CB 4.41Å; V685-W857 HydrophobicContact CG1-CB 3.65Å; V685-W857 HydrophobicContact CG1-CG 4.39Å; V685-M860 HydrophobicContact CG1-SD 4.47Å; V685-M860 HydrophobicContact CG2-SD 4.43Å |
| 686 | Q | 84.6 | Confident | 89.4 | Confident | 146 Ų | 146 | 44 Ų | 44 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | trans | -69.4 | 137.6 | 174.7 | -66.3 | -173.7 | -6.5 | 0 | 0 | 111.8 | A856 W857 | Q686-A856 HydrophobicContact CB-CB 4.02Å; Q686-W857 PolarHBondContact O-N 3.07Å | ||
| 687 | R | 86.5 | Confident | 89 | Confident | 21 Ų | 21 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | trans | -134.1 | 150.5 | -172.6 | -61.9 | 162.8 | -125.5 | -174.7 | -6.6 | 109.7 | F680 K682 V685 W857 | F680-R687 HydrophobicContact CD2-CG 4.23Å; F680-R687 HydrophobicContact CE2-CB 4.48Å; F680-R687 HydrophobicContact CE2-CG 3.94Å; F680-R687 PolarHBondContact O-NE 2.95Å; F680-R687 PolarHBondContact O-NH1 3.27Å; F680-R687 PolarHBondContact O-NH2 3.18Å; K682-R687 VanDerWaalsContact C-NH2 3.28Å; K682-R687 PolarHBondContact O-NH2 3.2Å; V685-R687 PolarHBondContact O-NE 3.37Å; V685-R687 VanDerWaalsContact O-NE 3.11Å; R687-W857 HydrophobicContact CG-CB 4.31Å | ||
| 688 | Q | 88.1 | Confident | 88.8 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | trans | -113.5 | 162.2 | 174.3 | -68.3 | 171.2 | -19 | 0 | 0 | 110.3 | R690 D691 C692 | Q688-R690 HydrophobicContact CB-CG 4.13Å; Q688-R690 PolarHBondContact O-N 3.27Å; Q688-D691 PolarHBondContact N-OD2 2.93Å; Q688-D691 WeakPolarHBondContact O-CB 3.15Å; Q688-D691 PolarHBondContact O-N 2.99Å; Q688-C692 PolarHBondContact O-N 2.97Å | ||
| 689 | A | 85.9 | Confident | 88.5 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.3 | -39.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | D691 C692 L693 Y780 F784 L786 | A689-D691 VanDerWaalsContact C-N 3.25Å; A689-D691 PolarHBondContact O-N 3.36Å; A689-C692 WeakPolarHBondContact O-CB 3.37Å; A689-C692 PolarHBondContact O-N 2.88Å; A689-C692 VanDerWaalsContact O-N 3.16Å; A689-L693 PolarHBondContact O-N 3.15Å; A689-Y780 HydrophobicContact CB-CD2 4.23Å; A689-Y780 HydrophobicContact CB-CE2 4.08Å; A689-F784 HydrophobicContact CB-CB 4.11Å; A689-F784 HydrophobicContact CB-CD1 3.99Å; A689-F784 HydrophobicContact CB-CD2 3.87Å; A689-F784 HydrophobicContact CB-CE1 4.39Å; A689-F784 HydrophobicContact CB-CE2 4.27Å; A689-F784 HydrophobicContact CB-CG 3.72Å; A689-L786 HydrophobicContact CB-CD1 3.8Å |
| 690 | R | 85.9 | Confident | 88.3 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -28.6 | 175.4 | 66 | 178.4 | 179.7 | 176.2 | -0.4 | 113.9 | Q688 L693 L694 R853 | Q688-R690 HydrophobicContact CB-CG 4.13Å; Q688-R690 PolarHBondContact O-N 3.27Å; R690-L693 PolarHBondContact O-N 3.42Å; R690-L694 WeakPolarHBondContact O-CB 3.43Å; R690-L694 PolarHBondContact O-N 2.79Å; R690-L694 VanDerWaalsContact O-N 3.08Å; R690-R853 PolarHBondContact NH2-O 2.93Å |
| 691 | D | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.9 | -36.4 | 176.8 | -53.1 | -36.3 | 0 | 0 | 0 | 110.3 | F680 Q688 A689 L693 L694 V695 S855 W857 | F680-D691 HydrophobicContact CE2-CB 4.33Å; Q688-D691 PolarHBondContact N-OD2 2.93Å; Q688-D691 WeakPolarHBondContact O-CB 3.15Å; Q688-D691 PolarHBondContact O-N 2.99Å; A689-D691 VanDerWaalsContact C-N 3.25Å; A689-D691 PolarHBondContact O-N 3.36Å; D691-L693 VanDerWaalsContact C-N 3.32Å; D691-L693 PolarHBondContact O-N 3.08Å; D691-L694 PolarHBondContact O-N 3.05Å; D691-V695 WeakPolarHBondContact O-CB 3.37Å; D691-V695 WeakPolarHBondContact O-CG2 3.36Å; D691-V695 PolarHBondContact O-N 2.91Å; D691-S855 PolarHBondContact OD1-OG 3.27Å; D691-S855 WeakPolarHBondContact OD2-CB 3.31Å; D691-S855 PolarHBondContact OD2-OG 3.44Å; D691-W857 HydrophobicContact CB-CE3 3.86Å; D691-W857 HydrophobicContact CB-CZ3 4.26Å |
| 692 | C | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 174 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | Q688 A689 S696 A776 Y780 | Q688-C692 PolarHBondContact O-N 2.97Å; A689-C692 WeakPolarHBondContact O-CB 3.37Å; A689-C692 PolarHBondContact O-N 2.88Å; A689-C692 VanDerWaalsContact O-N 3.16Å; C692-S696 WeakPolarHBondContact O-CB 3.2Å; C692-S696 PolarHBondContact O-N 2.89Å; C692-A776 HydrophobicContact CB-CB 4.24Å; C692-Y780 HydrophobicContact CB-CD2 4.05Å |
| 693 | L | 87.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -53.2 | 175.1 | -65.4 | 175.7 | 0 | 0 | 0 | 111.3 | A689 R690 D691 V695 S696 Q697 Y780 I791 | A689-L693 PolarHBondContact O-N 3.15Å; R690-L693 PolarHBondContact O-N 3.42Å; D691-L693 VanDerWaalsContact C-N 3.32Å; D691-L693 PolarHBondContact O-N 3.08Å; L693-V695 PolarHBondContact O-N 3.13Å; L693-S696 PolarHBondContact O-N 3.39Å; L693-Q697 WeakPolarHBondContact O-CG 3.26Å; L693-Q697 PolarHBondContact O-N 2.97Å; L693-Y780 HydrophobicContact CD1-CE2 3.93Å; L693-Y780 HydrophobicContact CD2-CD2 4.15Å; L693-Y780 HydrophobicContact CD2-CE1 4.29Å; L693-Y780 HydrophobicContact CD2-CE2 3.61Å; L693-Y780 HydrophobicContact CG-CD2 4.2Å; L693-Y780 HydrophobicContact CG-CE2 3.58Å; L693-I791 HydrophobicContact CD2-CG1 3.82Å |
| 694 | L | 88.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.7 | -50.5 | 179.9 | 173.1 | 54.5 | 0 | 0 | 0 | 112 | R690 D691 S696 Q697 M698 E828 W857 | R690-L694 WeakPolarHBondContact O-CB 3.43Å; R690-L694 PolarHBondContact O-N 2.79Å; R690-L694 VanDerWaalsContact O-N 3.08Å; D691-L694 PolarHBondContact O-N 3.05Å; L694-S696 VanDerWaalsContact C-N 3.34Å; L694-S696 PolarHBondContact O-N 3.24Å; L694-Q697 WeakPolarHBondContact O-CB 3.45Å; L694-Q697 PolarHBondContact O-N 2.93Å; L694-M698 HydrophobicContact CD1-CG 4.24Å; L694-M698 HydrophobicContact CD1-SD 4.27Å; L694-M698 HydrophobicContact CG-SD 4.15Å; L694-M698 WeakPolarHBondContact O-CG 3.46Å; L694-M698 PolarHBondContact O-N 2.88Å; L694-E828 HydrophobicContact CD1-CG 3.39Å; L694-E828 WeakPolarHBondContact CD1-OE2 3.1Å; L694-E828 WeakPolarHBondContact CD2-OE2 3.49Å; L694-W857 HydrophobicContact CD2-CH2 4.27Å; L694-W857 HydrophobicContact CD2-CZ3 3.92Å; L694-W857 HydrophobicContact CG-CH2 4.45Å; L694-W857 HydrophobicContact CG-CZ3 4.44Å |
| 695 | V | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | -178.2 | 169.5 | 0 | 0 | 0 | 0 | 112 | F680 D691 L693 Q697 M698 A699 V772 W857 | F680-V695 HydrophobicContact CD1-CG1 3.95Å; F680-V695 HydrophobicContact CD2-CB 4.27Å; F680-V695 HydrophobicContact CD2-CG1 4.17Å; F680-V695 HydrophobicContact CD2-CG2 3.64Å; F680-V695 HydrophobicContact CE1-CG1 4.1Å; F680-V695 HydrophobicContact CE2-CB 4.12Å; F680-V695 HydrophobicContact CE2-CG1 4.29Å; F680-V695 HydrophobicContact CE2-CG2 3.76Å; F680-V695 HydrophobicContact CG-CG1 3.97Å; F680-V695 HydrophobicContact CG-CG2 4.19Å; F680-V695 HydrophobicContact CZ-CB 4.3Å; F680-V695 HydrophobicContact CZ-CG1 4.25Å; F680-V695 HydrophobicContact CZ-CG2 4.43Å; D691-V695 WeakPolarHBondContact O-CB 3.37Å; D691-V695 WeakPolarHBondContact O-CG2 3.36Å; D691-V695 PolarHBondContact O-N 2.91Å; L693-V695 PolarHBondContact O-N 3.13Å; V695-Q697 VanDerWaalsContact C-N 3.32Å; V695-Q697 PolarHBondContact O-N 2.9Å; V695-M698 PolarHBondContact O-N 2.84Å; V695-A699 WeakPolarHBondContact O-CB 3.47Å; V695-A699 PolarHBondContact O-N 2.84Å; V695-V772 HydrophobicContact CB-CG1 4.46Å; V695-V772 HydrophobicContact CG1-CB 4.46Å; V695-V772 HydrophobicContact CG1-CG1 2.95Å; V695-W857 HydrophobicContact CB-CH2 4.48Å; V695-W857 HydrophobicContact CB-CZ2 4.5Å; V695-W857 HydrophobicContact CG2-CD2 4.37Å; V695-W857 HydrophobicContact CG2-CE3 4.29Å; V695-W857 HydrophobicContact CG2-CH2 3.03Å; V695-W857 HydrophobicContact CG2-CZ2 3.04Å; V695-W857 HydrophobicContact CG2-CZ3 3.69Å |
| 696 | S | 89.6 | Confident | 87.3 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | C692 L693 L694 A699 T700 H773 I791 | C692-S696 WeakPolarHBondContact O-CB 3.2Å; C692-S696 PolarHBondContact O-N 2.89Å; L693-S696 PolarHBondContact O-N 3.39Å; L694-S696 VanDerWaalsContact C-N 3.34Å; L694-S696 PolarHBondContact O-N 3.24Å; S696-A699 PolarHBondContact O-N 2.96Å; S696-T700 WeakPolarHBondContact O-CB 3.22Å; S696-T700 PolarHBondContact O-N 3.48Å; S696-T700 PolarHBondContact O-OG1 2.8Å; S696-H773 PolarHBondContact O-ND1 2.84Å; S696-H773 PolarHBondContact OG-CE1 2.61Å; S696-H773 PolarHBondContact OG-ND1 3.27Å; S696-I791 VanDerWaalsContact OG-CG2 3.29Å; S696-I791 WeakPolarHBondContact OG-CG2 3.39Å |
| 697 | Q | 86.8 | Confident | 86.5 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 174.8 | -70.3 | 174.4 | 3.2 | 0 | 0 | 112.2 | L693 L694 V695 A699 T700 L701 Q794 | L693-Q697 WeakPolarHBondContact O-CG 3.26Å; L693-Q697 PolarHBondContact O-N 2.97Å; L694-Q697 WeakPolarHBondContact O-CB 3.45Å; L694-Q697 PolarHBondContact O-N 2.93Å; V695-Q697 VanDerWaalsContact C-N 3.32Å; V695-Q697 PolarHBondContact O-N 2.9Å; Q697-A699 VanDerWaalsContact C-N 3.29Å; Q697-A699 PolarHBondContact O-N 2.77Å; Q697-T700 PolarHBondContact O-N 2.89Å; Q697-L701 WeakPolarHBondContact O-CG 3.03Å; Q697-L701 PolarHBondContact O-N 3.37Å; Q697-Q794 PolarHBondContact NE2-O 2.77Å |
| 698 | M | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.6 | -45.1 | 175.8 | -68.2 | 169.9 | 70.7 | 0 | 0 | 111.2 | L673 C676 Y677 L694 V695 L701 T702 S826 L827 W857 | L673-M698 HydrophobicContact CD2-CE 3.65Å; C676-M698 HydrophobicContact CB-CE 4.09Å; Y677-M698 HydrophobicContact CE1-CB 4.13Å; Y677-M698 HydrophobicContact CE1-CE 4.49Å; Y677-M698 PolarHBondContact OH-O 2.96Å; L694-M698 HydrophobicContact CD1-CG 4.24Å; L694-M698 HydrophobicContact CD1-SD 4.27Å; L694-M698 HydrophobicContact CG-SD 4.15Å; L694-M698 WeakPolarHBondContact O-CG 3.46Å; L694-M698 PolarHBondContact O-N 2.88Å; V695-M698 PolarHBondContact O-N 2.84Å; M698-L701 PolarHBondContact O-N 3.14Å; M698-T702 PolarHBondContact O-N 2.63Å; M698-T702 PolarHBondContact O-OG1 2.9Å; M698-S826 VanDerWaalsContact CG-O 3.26Å; M698-S826 WeakPolarHBondContact CG-O 3.46Å; M698-L827 HydrophobicContact CB-CD1 4.46Å; M698-L827 HydrophobicContact CG-CB 4.4Å; M698-L827 HydrophobicContact CG-CD1 4.4Å; M698-W857 HydrophobicContact SD-CH2 4.11Å |
| 699 | A | 90.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y677 V695 S696 Q697 L701 T702 L703 A769 H773 | Y677-A699 WeakPolarHBondContact OH-CA 3.11Å; Y677-A699 PolarHBondContact OH-N 3.2Å; V695-A699 WeakPolarHBondContact O-CB 3.47Å; V695-A699 PolarHBondContact O-N 2.84Å; S696-A699 PolarHBondContact O-N 2.96Å; Q697-A699 VanDerWaalsContact C-N 3.29Å; Q697-A699 PolarHBondContact O-N 2.77Å; A699-L701 VanDerWaalsContact C-N 3.34Å; A699-L701 PolarHBondContact O-N 2.93Å; A699-T702 PolarHBondContact O-N 3.42Å; A699-L703 WeakPolarHBondContact O-CB 3.49Å; A699-L703 VanDerWaalsContact O-CG 3.3Å; A699-L703 WeakPolarHBondContact O-CG 3.49Å; A699-L703 PolarHBondContact O-N 2.92Å; A699-A769 HydrophobicContact CB-CB 4.17Å; A699-A769 WeakPolarHBondContact CB-O 3.36Å; A699-H773 HydrophobicContact CB-CB 3.82Å |
| 700 | T | 87.6 | Confident | 80.4 | Confident | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | S696 Q697 L703 N704 H773 L795 | S696-T700 WeakPolarHBondContact O-CB 3.22Å; S696-T700 PolarHBondContact O-N 3.48Å; S696-T700 PolarHBondContact O-OG1 2.8Å; Q697-T700 PolarHBondContact O-N 2.89Å; T700-L703 PolarHBondContact O-N 2.94Å; T700-N704 WeakPolarHBondContact O-CB 3.5Å; T700-N704 PolarHBondContact O-N 3.22Å; T700-N704 PolarHBondContact O-ND2 2.91Å; T700-H773 PolarHBondContact OG1-CE1 2.87Å; T700-H773 PolarHBondContact OG1-ND1 3Å; T700-L795 HydrophobicContact CG2-CD2 3.95Å |
| 701 | L | 86 | Confident | 78 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.5 | -74 | 171.2 | 0 | 0 | 0 | 111.4 | Q697 M698 A699 L703 N704 I705 L827 | Q697-L701 WeakPolarHBondContact O-CG 3.03Å; Q697-L701 PolarHBondContact O-N 3.37Å; M698-L701 PolarHBondContact O-N 3.14Å; A699-L701 VanDerWaalsContact C-N 3.34Å; A699-L701 PolarHBondContact O-N 2.93Å; L701-L703 PolarHBondContact O-N 3Å; L701-N704 PolarHBondContact O-N 2.93Å; L701-I705 WeakPolarHBondContact O-CG1 3.43Å; L701-I705 PolarHBondContact O-N 2.91Å; L701-I705 VanDerWaalsContact O-N 3.1Å; L701-L827 HydrophobicContact CD1-CB 4.4Å |
| 702 | T | 88.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 178 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | Y677 M698 A699 N704 I705 F706 L765 A769 | Y677-T702 HydrophobicContact CE2-CG2 4.42Å; Y677-T702 PolarHBondContact OH-OG1 3.33Å; M698-T702 PolarHBondContact O-N 2.63Å; M698-T702 PolarHBondContact O-OG1 2.9Å; A699-T702 PolarHBondContact O-N 3.42Å; T702-N704 PolarHBondContact O-N 3.25Å; T702-I705 PolarHBondContact O-N 2.84Å; T702-F706 HydrophobicContact CG2-CD2 3.84Å; T702-F706 HydrophobicContact CG2-CE2 4.09Å; T702-F706 VanDerWaalsContact O-CD2 3.26Å; T702-F706 WeakPolarHBondContact O-CD2 3.33Å; T702-F706 PolarHBondContact O-N 2.88Å; T702-L765 HydrophobicContact CG2-CD2 4.14Å; T702-L765 HydrophobicContact CG2-CG 3.97Å; T702-A769 HydrophobicContact CG2-CB 4.01Å |
| 703 | L | 88.2 | Confident | 72.3 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 177.4 | -71.2 | 171.7 | 0 | 0 | 0 | 111.9 | A699 T700 L701 I705 F706 R707 P766 A769 K770 | A699-L703 WeakPolarHBondContact O-CB 3.49Å; A699-L703 VanDerWaalsContact O-CG 3.3Å; A699-L703 WeakPolarHBondContact O-CG 3.49Å; A699-L703 PolarHBondContact O-N 2.92Å; T700-L703 PolarHBondContact O-N 2.94Å; L701-L703 PolarHBondContact O-N 3Å; L703-I705 VanDerWaalsContact C-N 3.29Å; L703-I705 PolarHBondContact O-N 3.5Å; L703-F706 CarbonylContact O-C 3.59Å; L703-F706 PolarHBondContact O-N 2.94Å; L703-R707 WeakPolarHBondContact O-CA 3.2Å; L703-R707 WeakPolarHBondContact O-CG 3.21Å; L703-R707 PolarHBondContact O-N 3.47Å; L703-P766 HydrophobicContact CD2-CB 4.49Å; L703-P766 WeakPolarHBondContact CD2-O 3.39Å; L703-A769 HydrophobicContact CD2-CB 4.22Å; L703-A769 HydrophobicContact CG-CB 4.08Å; L703-K770 HydrophobicContact CD2-CB 4.44Å |
| 704 | N | 84 | Confident | 69.3 | Low | 41 Ų | 41 | 50.5 Ų | 50.5 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 177.8 | -74.8 | -15.1 | 0 | 0 | 0 | 112.8 | T700 L701 T702 R707 P807 | T700-N704 WeakPolarHBondContact O-CB 3.5Å; T700-N704 PolarHBondContact O-N 3.22Å; T700-N704 PolarHBondContact O-ND2 2.91Å; L701-N704 PolarHBondContact O-N 2.93Å; T702-N704 PolarHBondContact O-N 3.25Å; N704-R707 PolarHBondContact OD1-NE 3.16Å; N704-R707 PolarHBondContact OD1-NH2 3.37Å; N704-P807 HydrophobicContact CB-CB 4.35Å; N704-P807 HydrophobicContact CB-CG 4.34Å |
| 705 | I | 82.9 | Confident | 66.3 | Low | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.9 | -38.3 | 178.9 | -69.5 | 173.5 | 0 | 0 | 0 | 111.4 | L701 T702 L703 Y758 P807 L809 | L701-I705 WeakPolarHBondContact O-CG1 3.43Å; L701-I705 PolarHBondContact O-N 2.91Å; L701-I705 VanDerWaalsContact O-N 3.1Å; T702-I705 PolarHBondContact O-N 2.84Å; L703-I705 VanDerWaalsContact C-N 3.29Å; L703-I705 PolarHBondContact O-N 3.5Å; I705-Y758 HydrophobicContact CG2-CD1 4.41Å; I705-Y758 HydrophobicContact CG2-CD2 3.75Å; I705-Y758 HydrophobicContact CG2-CE2 4.45Å; I705-Y758 HydrophobicContact CG2-CG 3.72Å; I705-P807 HydrophobicContact CG1-CB 4Å; I705-L809 HydrophobicContact CD1-CB 4.47Å; I705-L809 HydrophobicContact CD1-CD1 4.27Å; I705-L809 HydrophobicContact CD1-CD2 3.48Å; I705-L809 VanDerWaalsContact CD1-CD2 3.48Å; I705-L809 HydrophobicContact CD1-CG 3.4Å |
| 706 | F | 82.5 | Confident | 63.1 | Low | 30 Ų | 30 | 62.6 Ų | 62.6 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 27.4 | -179.5 | -59 | -65.1 | 0 | 0 | 0 | 113.3 | Q670 T702 L703 C760 L765 P766 | Q670-F706 HydrophobicContact CG-CZ 4.33Å; T702-F706 HydrophobicContact CG2-CD2 3.84Å; T702-F706 HydrophobicContact CG2-CE2 4.09Å; T702-F706 VanDerWaalsContact O-CD2 3.26Å; T702-F706 WeakPolarHBondContact O-CD2 3.33Å; T702-F706 PolarHBondContact O-N 2.88Å; L703-F706 CarbonylContact O-C 3.59Å; L703-F706 PolarHBondContact O-N 2.94Å; F706-C760 HydrophobicContact CD1-CB 3.72Å; F706-C760 HydrophobicContact CE1-CB 3.58Å; F706-C760 HydrophobicContact CZ-CB 4.31Å; F706-L765 HydrophobicContact CE2-CD2 3.97Å; F706-P766 HydrophobicContact CB-CG 4.03Å; F706-P766 HydrophobicContact CG-CG 4.46Å |
| 707 | R | 69.8 | Low | 60.1 | Low | 134 Ų | 134 | 68.3 Ų | 68.3 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | trans | -59.9 | 132 | 178.1 | -87.2 | -170.5 | -167.1 | 178.4 | 2.6 | 110.1 | L703 N704 V709 | L703-R707 WeakPolarHBondContact O-CA 3.2Å; L703-R707 WeakPolarHBondContact O-CG 3.21Å; L703-R707 PolarHBondContact O-N 3.47Å; N704-R707 PolarHBondContact OD1-NE 3.16Å; N704-R707 PolarHBondContact OD1-NH2 3.37Å; R707-V709 PolarHBondContact O-N 2.85Å | ||
| 708 | P | 52.1 | Low | 57.2 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | trans | -61.1 | 133.7 | 166.4 | -17.4 | 29.5 | 0 | 0 | 0 | 110.1 | S710 | P708-S710 PolarHBondContact O-N 3.08Š| ||
| 709 | V | 42.5 | Very low | 53.9 | Low | 46 Ų | 46 | 78.1 Ų | 78.1 | 28% | 0.279 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -53.8 | -20.6 | 179.2 | 165.8 | 0 | 0 | 0 | 0 | 113.8 | R707 Q711 I712 M749 I751 | R707-V709 PolarHBondContact O-N 2.85Å; V709-Q711 PolarHBondContact O-N 3.28Å; V709-I712 PolarHBondContact O-N 3.33Å; V709-M749 HydrophobicContact CB-CE 4.04Å; V709-M749 HydrophobicContact CB-SD 3.98Å; V709-M749 HydrophobicContact CG2-CB 4.28Å; V709-M749 HydrophobicContact CG2-CE 4.07Å; V709-M749 HydrophobicContact CG2-CG 4.1Å; V709-M749 HydrophobicContact CG2-SD 3.35Å; V709-M749 WeakPolarHBondContact CG2-SD 3.32Å; V709-I751 HydrophobicContact CG2-CD1 3.51Å; V709-I751 HydrophobicContact CG2-CG1 3.85Å |
| 710 | S | 37.3 | Very low | 50.8 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -61.7 | -4.4 | -176.3 | 44.5 | 0 | 0 | 0 | 0 | 115.8 | P708 | P708-S710 PolarHBondContact O-N 3.08Š|
| 711 | Q | 34.2 | Very low | 47.7 | Very low | 106 Ų | 106 | 89.2 Ų | 89.2 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -111.1 | 0.1 | 172.9 | -69.4 | -175.7 | -12.9 | 0 | 0 | 115.4 | V709 | V709-Q711 PolarHBondContact O-N 3.28Š|
| 712 | I | 32.2 | Very low | 44.7 | Very low | 99 Ų | 99 | 95 Ų | 95 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.7 | 178.1 | -64.7 | 171.7 | 0 | 0 | 0 | 111.6 | V709 I751 | V709-I712 PolarHBondContact O-N 3.33Å; I712-I751 HydrophobicContact CD1-CD1 3.81Å |
| 713 | L | 26.7 | Very low | 41.6 | Very low | 151 Ų | 151 | 104 Ų | 104 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -106.2 | 42.5 | -178.7 | -80 | 160.4 | 0 | 0 | 0 | 113.9 | ||
| 714 | T | 26.1 | Very low | 38.5 | Very low | 104 Ų | 104 | 107.9 Ų | 107.9 | 64% | 0.638 | 61% | 0.61 | S | S | * | * | trans | -145.3 | 56.8 | 159.7 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 715 | N | 23.9 | Very low | 35.7 | Very low | 165 Ų | 165 | 112.8 Ų | 112.8 | 88% | 0.882 | 64% | 0.642 | S | S | * | * | trans | -126.1 | 49.1 | 156.7 | -86.1 | -15.6 | 0 | 0 | 0 | 109.2 | ||||
| 716 | S | 23.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -85.5 | 124.9 | 150.9 | 48.9 | 0 | 0 | 0 | 0 | 106.8 | S718 | S716-S718 PolarHBondContact O-N 2.9Š|
| 717 | P | 26.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -68.3 | 96.6 | -171.2 | 27.7 | -32.5 | 0 | 0 | 0 | 109.1 | T719 | P717-T719 VanDerWaalsContact C-N 3.25Å; P717-T719 PolarHBondContact O-N 2.79Å; P717-T719 PolarHBondContact O-OG1 2.71Å | ||
| 718 | S | 26.3 | Very low | 28.1 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -68.9 | 94.7 | 166.9 | 50.4 | 0 | 0 | 0 | 0 | 107.6 | S716 M720 | S716-S718 PolarHBondContact O-N 2.9Å; S718-M720 PolarHBondContact O-N 2.98Å | ||
| 719 | T | 21.6 | Very low | 26.8 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -46.4 | 112.9 | 155.5 | -16.6 | 0 | 0 | 0 | 0 | 108.1 | P717 | P717-T719 VanDerWaalsContact C-N 3.25Å; P717-T719 PolarHBondContact O-N 2.79Å; P717-T719 PolarHBondContact O-OG1 2.71Å | ||
| 720 | M | 23.8 | Very low | 26 | Very low | 164 Ų | 164 | 128 Ų | 128 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -153.9 | 98.6 | 155.8 | -82.2 | -133.5 | 108 | 0 | 0 | 106.9 | S718 | S718-M720 PolarHBondContact O-N 2.98Š| ||
| 721 | T | 23.8 | Very low | 25.4 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | 56.9 | 100.1 | 102.2 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | E723 | T721-E723 PolarHBondContact O-N 2.76Š| |||
| 722 | T | 21.7 | Very low | 25 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -11.8 | 112.8 | 142.3 | 44.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 723 | E | 24.9 | Very low | 24.7 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -144.4 | 106.6 | 141.1 | -109.6 | 171 | -153.4 | 0 | 0 | 109.2 | T721 | T721-E723 PolarHBondContact O-N 2.76Š| ||
| 724 | T | 22.4 | Very low | 24.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -47.1 | 125.6 | 159.8 | 21.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 725 | T | 25.2 | Very low | 24.7 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -150.7 | 134.2 | 131.4 | 26.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 726 | V | 25.2 | Very low | 24.8 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -83.3 | 124 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 727 | D | 25.2 | Very low | 24.9 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -155.1 | 104 | 144.6 | -96.1 | -26.5 | 0 | 0 | 0 | 109 | ||||
| 728 | A | 25.3 | Very low | 24.8 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -101.4 | 91.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 729 | T | 24.7 | Very low | 24.7 | Very low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -162.1 | 139.1 | 152.9 | 36.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 730 | S | 26.5 | Very low | 24.9 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 84.5 | 75.1 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 117.6 | T732 | S730-T732 VanDerWaalsContact C-N 3.31Å; S730-T732 PolarHBondContact O-N 3.15Å; S730-T732 VanDerWaalsContact O-N 3.09Å | ||
| 731 | T | 24.2 | Very low | 24.8 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 83.3 | 155.3 | 38.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 732 | T | 26.3 | Very low | 24.9 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | -110 | 115.2 | 164.4 | 39.4 | 0 | 0 | 0 | 0 | 110.1 | S730 D734 | S730-T732 VanDerWaalsContact C-N 3.31Å; S730-T732 PolarHBondContact O-N 3.15Å; S730-T732 VanDerWaalsContact O-N 3.09Å; T732-D734 PolarHBondContact O-N 3.5Å; T732-D734 VanDerWaalsContact O-N 3.11Å | ||
| 733 | I | 25.5 | Very low | 25 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -23.1 | 97.2 | 165.8 | -56.7 | 158.4 | 0 | 0 | 0 | 112.9 | ||||
| 734 | D | 24.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | trans | -139.9 | 13.5 | 165.3 | -96.7 | -27.5 | 0 | 0 | 0 | 113.7 | T732 V736 | T732-D734 PolarHBondContact O-N 3.5Å; T732-D734 VanDerWaalsContact O-N 3.11Å; D734-V736 PolarHBondContact O-N 3.19Å | ||
| 735 | S | 27.3 | Very low | 25.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 13.7 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 736 | V | 27.5 | Very low | 25.4 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 3 | 180 | -163.7 | 0 | 0 | 0 | 0 | 113.8 | D734 | D734-V736 PolarHBondContact O-N 3.19Š|
| 737 | S | 25.1 | Very low | 25.7 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -110.4 | -13.3 | -172.5 | -47.8 | 0 | 0 | 0 | 0 | 116.1 | C739 | S737-C739 PolarHBondContact O-N 3.35Š|
| 738 | S | 24.4 | Very low | 25.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -105.1 | 59.8 | -164.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | ||
| 739 | C | 24 | Very low | 26.1 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | trans | -157.2 | 35.4 | 173.3 | -96.2 | 0 | 0 | 0 | 0 | 114.3 | S737 | S737-C739 PolarHBondContact O-N 3.35Š| ||
| 740 | I | 25.2 | Very low | 26 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 65% | 0.651 | 74% | 0.742 | S | S | * | * | trans | -138.7 | 85.9 | 176.7 | -58.4 | 177.3 | 0 | 0 | 0 | 110.8 | K770 | I740-K770 HydrophobicContact CD1-CD 3.66Š| ||
| 741 | S | 22.8 | Very low | 26 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -159.2 | 105.9 | 154.9 | 56.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 742 | N | 25.3 | Very low | 26 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | trans | -164.4 | 135.3 | 142.7 | -93.3 | -18.9 | 0 | 0 | 0 | 110.9 | ||||
| 743 | K | 22.7 | Very low | 26.1 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | -84.3 | 163.9 | 176.8 | -69.1 | 174.3 | 171.1 | 179.3 | 0 | 110 | ||||
| 744 | N | 27.6 | Very low | 26.6 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | 114.2 | 105.1 | 170.6 | -59 | -1.9 | 0 | 0 | 0 | 110.5 | ||||
| 745 | E | 26.5 | Very low | 27.3 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | 82.5 | 109.2 | 85.6 | -80.4 | -174.8 | 174.7 | 0 | 0 | 112.1 | |||||
| 746 | D | 28.3 | Very low | 28.3 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | 44.7 | 72.3 | 163.5 | -62.7 | -15.7 | 0 | 0 | 0 | 119.6 | ||||
| 747 | D | 30.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | trans | -110.7 | 98.5 | 173.1 | -83.4 | -25.4 | 0 | 0 | 0 | 113.1 | M749 | D747-M749 HydrophobicContact CB-CE 4.05Å; D747-M749 HydrophobicContact CB-CG 4.05Å; D747-M749 PolarHBondContact O-N 3.2Å | ||
| 748 | T | 27.7 | Very low | 31.7 | Very low | 135 Ų | 135 | 120 Ų | 120 | 83% | 0.828 | 67% | 0.671 | S | S | * | * | trans | -78.7 | 101.7 | 148.6 | 46.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 749 | M | 31.1 | Very low | 34.3 | Very low | 77 Ų | 77 | 119 Ų | 119 | 38% | 0.379 | 66% | 0.656 | S | S | . | * | trans | -77.9 | 125.8 | -173.8 | -67.8 | -167.1 | 164.6 | 0 | 0 | 112.6 | V709 D747 | V709-M749 HydrophobicContact CB-CE 4.04Å; V709-M749 HydrophobicContact CB-SD 3.98Å; V709-M749 HydrophobicContact CG2-CB 4.28Å; V709-M749 HydrophobicContact CG2-CE 4.07Å; V709-M749 HydrophobicContact CG2-CG 4.1Å; V709-M749 HydrophobicContact CG2-SD 3.35Å; V709-M749 WeakPolarHBondContact CG2-SD 3.32Å; D747-M749 HydrophobicContact CB-CE 4.05Å; D747-M749 HydrophobicContact CB-CG 4.05Å; D747-M749 PolarHBondContact O-N 3.2Å | ||
| 750 | I | 22.6 | Very low | 37.2 | Very low | 146 Ų | 146 | 116.6 Ų | 116.6 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | trans | -106.2 | 117.3 | 173.4 | -59.4 | 172.4 | 0 | 0 | 0 | 107.3 | ||||
| 751 | I | 26.8 | Very low | 40.1 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 41% | 0.41 | 62% | 0.616 | S | S | . | * | trans | -131.8 | 128.4 | 170 | -51.3 | 177.4 | 0 | 0 | 0 | 109.3 | V709 I712 | V709-I751 HydrophobicContact CG2-CD1 3.51Å; V709-I751 HydrophobicContact CG2-CG1 3.85Å; I712-I751 HydrophobicContact CD1-CD1 3.81Å | ||
| 752 | D | 24.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 107.8 Ų | 107.8 | 85% | 0.85 | 59% | 0.585 | S | S | * | * | trans | -66.4 | 135.4 | 170.6 | -80 | -43.8 | 0 | 0 | 0 | 112.2 | ||||
| 753 | G | 27.8 | Very low | 46.1 | Very low | 58 Ų | 58 | 108.3 Ų | 108.3 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 110.9 | 82.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L755 | G753-L755 PolarHBondContact O-N 2.81Š|
| 754 | A | 35.8 | Very low | 49.3 | Very low | 115 Ų | 115 | 103.2 Ų | 103.2 | 95% | 0.95 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 57.6 | -3.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | K756 | A754-K756 PolarHBondContact O-N 2.84Š|
| 755 | L | 39.1 | Very low | 52.4 | Low | 91 Ų | 91 | 96.6 Ų | 96.6 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | trans | -78.2 | 117.3 | 164.3 | -91.7 | 90 | 0 | 0 | 0 | 108.4 | G753 N757 | G753-L755 PolarHBondContact O-N 2.81Å; L755-N757 PolarHBondContact O-N 3.3Å; L755-N757 VanDerWaalsContact O-N 3.17Å | ||
| 756 | K | 49.3 | Very low | 55.5 | Low | 127 Ų | 127 | 90 Ų | 90 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | trans | -48.3 | 126 | 164.3 | -71 | 170.9 | -179.2 | 162.1 | 0 | 107.6 | A754 Y758 D808 | A754-K756 PolarHBondContact O-N 2.84Å; K756-Y758 VanDerWaalsContact C-N 3.31Å; K756-Y758 HydrophobicContact CB-CD2 4.22Å; K756-Y758 HydrophobicContact CB-CE2 4.02Å; K756-Y758 WeakPolarHBondContact O-CD2 3.14Å; K756-Y758 PolarHBondContact O-N 3.44Å; K756-D808 IonicContact NZ-OD2 3.35Å | ||
| 757 | N | 56.8 | Low | 58.6 | Low | 111 Ų | 111 | 89.1 Ų | 89.1 | 59% | 0.594 | 49% | 0.488 | S | S | * | . | trans | -58.6 | 95.1 | 172.3 | -77 | -12.7 | 0 | 0 | 0 | 108.9 | L755 I759 | L755-N757 PolarHBondContact O-N 3.3Å; L755-N757 VanDerWaalsContact O-N 3.17Å; N757-I759 PolarHBondContact O-N 3.1Å | ||
| 758 | Y | 67.2 | Low | 61.6 | Low | 34 Ų | 34 | 84.3 Ų | 84.3 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | trans | -79.4 | 108.6 | 177.2 | -85.6 | -83.3 | 0 | 0 | 0 | 108.5 | I705 K756 C760 D808 L809 | I705-Y758 HydrophobicContact CG2-CD1 4.41Å; I705-Y758 HydrophobicContact CG2-CD2 3.75Å; I705-Y758 HydrophobicContact CG2-CE2 4.45Å; I705-Y758 HydrophobicContact CG2-CG 3.72Å; K756-Y758 VanDerWaalsContact C-N 3.31Å; K756-Y758 HydrophobicContact CB-CD2 4.22Å; K756-Y758 HydrophobicContact CB-CE2 4.02Å; K756-Y758 WeakPolarHBondContact O-CD2 3.14Å; K756-Y758 PolarHBondContact O-N 3.44Å; Y758-C760 PolarHBondContact O-N 3.47Å; Y758-D808 PolarHBondContact OH-OD1 3.33Å; Y758-D808 VanDerWaalsContact OH-OD1 3.06Å; Y758-L809 HydrophobicContact CE1-CD1 4.45Å | ||
| 759 | I | 79.9 | Confident | 64.7 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 40% | 0.4 | 42% | 0.423 | S | S | . | . | trans | -73.1 | 124.1 | 172.1 | -58.6 | 173 | 0 | 0 | 0 | 108.3 | Q670 N757 F761 | Q670-I759 PolarHBondContact NE2-O 3.28Å; N757-I759 PolarHBondContact O-N 3.1Å; I759-F761 HydrophobicContact CB-CE1 4.22Å; I759-F761 HydrophobicContact CB-CE2 4.15Å; I759-F761 HydrophobicContact CB-CZ 3.91Å; I759-F761 HydrophobicContact CD1-CZ 4.42Å; I759-F761 HydrophobicContact CG2-CD1 3.96Å; I759-F761 HydrophobicContact CG2-CE1 3.67Å; I759-F761 HydrophobicContact CG2-CE2 4.36Å; I759-F761 HydrophobicContact CG2-CG 4.44Å; I759-F761 HydrophobicContact CG2-CZ 3.89Å; I759-F761 WeakPolarHBondContact O-CD2 3.12Å; I759-F761 PolarHBondContact O-N 3.44Å | ||
| 760 | C | 84.6 | Confident | 67.6 | Low | 48 Ų | 48 | 77.9 Ų | 77.9 | 32% | 0.324 | 42% | 0.421 | S | S | . | . | trans | -82.1 | 102.2 | 172.8 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | F706 Y758 V762 | F706-C760 HydrophobicContact CD1-CB 3.72Å; F706-C760 HydrophobicContact CE1-CB 3.58Å; F706-C760 HydrophobicContact CZ-CB 4.31Å; Y758-C760 PolarHBondContact O-N 3.47Å; C760-V762 PolarHBondContact SG-O 3.41Å | ||
| 761 | F | 86.6 | Confident | 71 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | trans | -83.1 | -27.4 | 178.4 | -62.2 | -71 | 0 | 0 | 0 | 112.2 | F623 L628 S663 N666 F667 I759 | F623-F761 HydrophobicContact CB-CE1 4.03Å; F623-F761 HydrophobicContact CB-CZ 4.28Å; F623-F761 HydrophobicContact CD1-CD1 4.09Å; F623-F761 AromaticContact CD1-CE1 3.58Å; F623-F761 HydrophobicContact CD1-CE1 3.58Å; F623-F761 HydrophobicContact CD1-CZ 4.21Å; F623-F761 HydrophobicContact CE1-CD1 4.35Å; F623-F761 HydrophobicContact CE1-CE1 4.19Å; F623-F761 AromaticContact CG-CE1 3.84Å; F623-F761 HydrophobicContact CG-CE1 3.84Å; F623-F761 HydrophobicContact CG-CZ 4.08Å; L628-F761 HydrophobicContact CD2-CB 4.04Å; L628-F761 HydrophobicContact CD2-CD1 3.86Å; L628-F761 HydrophobicContact CD2-CG 4.31Å; S663-F761 WeakPolarHBondContact O-CE2 3.23Å; N666-F761 HydrophobicContact CB-CE2 4.37Å; F667-F761 HydrophobicContact CB-CD2 3.72Å; F667-F761 HydrophobicContact CB-CE2 4.15Å; F667-F761 HydrophobicContact CB-CG 4.21Å; F667-F761 HydrophobicContact CD2-CB 3.42Å; F667-F761 VanDerWaalsContact CD2-CB 3.42Å; F667-F761 HydrophobicContact CD2-CD2 4.23Å; F667-F761 HydrophobicContact CD2-CG 4Å; F667-F761 HydrophobicContact CE2-CB 3.88Å; F667-F761 HydrophobicContact CG-CB 4.21Å; F667-F761 HydrophobicContact CG-CD2 4.31Å; F667-F761 HydrophobicContact CG-CG 4.31Å; I759-F761 HydrophobicContact CB-CE1 4.22Å; I759-F761 HydrophobicContact CB-CE2 4.15Å; I759-F761 HydrophobicContact CB-CZ 3.91Å; I759-F761 HydrophobicContact CD1-CZ 4.42Å; I759-F761 HydrophobicContact CG2-CD1 3.96Å; I759-F761 HydrophobicContact CG2-CE1 3.67Å; I759-F761 HydrophobicContact CG2-CE2 4.36Å; I759-F761 HydrophobicContact CG2-CG 4.44Å; I759-F761 HydrophobicContact CG2-CZ 3.89Å; I759-F761 WeakPolarHBondContact O-CD2 3.12Å; I759-F761 PolarHBondContact O-N 3.44Å | ||
| 762 | V | 88.1 | Confident | 74.2 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -101.9 | 96.2 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | F667 Q670 R671 E674 C760 D764 L765 | F667-V762 HydrophobicContact CD2-CG2 4.44Å; F667-V762 HydrophobicContact CE2-CG2 4.11Å; Q670-V762 HydrophobicContact CB-CG2 3.97Å; R671-V762 HydrophobicContact CG-CG2 4.15Å; E674-V762 HydrophobicContact CB-CG1 4.35Å; E674-V762 HydrophobicContact CG-CG1 4.12Å; C760-V762 PolarHBondContact SG-O 3.41Å; V762-D764 VanDerWaalsContact C-N 3.31Å; V762-D764 PolarHBondContact O-N 3.21Å; V762-L765 HydrophobicContact CB-CB 3.99Å; V762-L765 HydrophobicContact CG1-CB 3.97Å; V762-L765 WeakPolarHBondContact O-CB 3.22Å; V762-L765 PolarHBondContact O-N 2.97Å |
| 763 | K | 85.7 | Confident | 77.4 | Confident | 184 Ų | 184 | 64.6 Ų | 64.6 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.4 | -171.4 | -64.8 | -173.2 | 177.8 | -173.4 | 0 | 114.1 | L765 P766 | K763-L765 VanDerWaalsContact C-N 3.26Å; K763-L765 PolarHBondContact O-N 2.76Å; K763-P766 WeakPolarHBondContact O-CD 3.44Å |
| 764 | D | 90.1 | Very high | 80.4 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.7 | -177.1 | -53.5 | -10.7 | 0 | 0 | 0 | 113.4 | R678 V762 E767 L768 | R678-D764 IonicContact NH2-OD2 2.76Å; V762-D764 VanDerWaalsContact C-N 3.31Å; V762-D764 PolarHBondContact O-N 3.21Å; D764-E767 PolarHBondContact O-N 3.49Å; D764-L768 HydrophobicContact CB-CD1 4.29Å; D764-L768 HydrophobicContact CB-CG 4.48Å; D764-L768 WeakPolarHBondContact O-CB 3.4Å; D764-L768 WeakPolarHBondContact O-CG 3.32Å; D764-L768 PolarHBondContact O-N 2.76Å |
| 765 | L | 92.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | -171.7 | -177.1 | 67.4 | 0 | 0 | 0 | 113.5 | Q670 L673 E674 Y677 T702 F706 V762 K763 E767 L768 A769 | Q670-L765 HydrophobicContact CB-CD2 3.87Å; Q670-L765 HydrophobicContact CG-CD2 3.77Å; L673-L765 HydrophobicContact CB-CD1 4.01Å; E674-L765 HydrophobicContact CB-CD1 4.2Å; Y677-L765 HydrophobicContact CD2-CD1 3.88Å; Y677-L765 HydrophobicContact CE2-CD1 3.84Å; T702-L765 HydrophobicContact CG2-CD2 4.14Å; T702-L765 HydrophobicContact CG2-CG 3.97Å; F706-L765 HydrophobicContact CE2-CD2 3.97Å; V762-L765 HydrophobicContact CB-CB 3.99Å; V762-L765 HydrophobicContact CG1-CB 3.97Å; V762-L765 WeakPolarHBondContact O-CB 3.22Å; V762-L765 PolarHBondContact O-N 2.97Å; K763-L765 VanDerWaalsContact C-N 3.26Å; K763-L765 PolarHBondContact O-N 2.76Å; L765-E767 VanDerWaalsContact C-N 3.35Å; L765-E767 PolarHBondContact O-N 3.33Å; L765-L768 PolarHBondContact O-N 3.33Å; L765-A769 WeakPolarHBondContact O-CB 3.27Å; L765-A769 PolarHBondContact O-N 3.03Å |
| 766 | P | 91.6 | Very high | 85.6 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.6 | -22 | 35.3 | 0 | 0 | 0 | 112.6 | L703 F706 K763 A769 K770 | L703-P766 HydrophobicContact CD2-CB 4.49Å; L703-P766 WeakPolarHBondContact CD2-O 3.39Å; F706-P766 HydrophobicContact CB-CG 4.03Å; F706-P766 HydrophobicContact CG-CG 4.46Å; K763-P766 WeakPolarHBondContact O-CD 3.44Å; P766-A769 PolarHBondContact O-N 3.25Å; P766-K770 PolarHBondContact O-N 3.22Å |
| 767 | E | 92.2 | Very high | 87.5 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 177.1 | -63.3 | -171.6 | 168 | 0 | 0 | 111.4 | D764 L765 A769 K770 S771 | D764-E767 PolarHBondContact O-N 3.49Å; L765-E767 VanDerWaalsContact C-N 3.35Å; L765-E767 PolarHBondContact O-N 3.33Å; E767-A769 VanDerWaalsContact C-N 3.33Å; E767-A769 PolarHBondContact O-N 3.04Å; E767-K770 WeakPolarHBondContact O-CB 3.25Å; E767-K770 PolarHBondContact O-N 3.34Å; E767-S771 PolarHBondContact O-N 3.3Å; E767-S771 PolarHBondContact O-OG 3.32Å |
| 768 | L | 93.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.5 | -74.8 | 170.7 | 0 | 0 | 0 | 111.8 | E674 Y677 R678 L681 D764 L765 K770 S771 V772 | E674-L768 HydrophobicContact CG-CD1 3.71Å; Y677-L768 HydrophobicContact CD2-CB 4.3Å; R678-L768 HydrophobicContact CG-CD1 4.29Å; R678-L768 HydrophobicContact CG-CD2 4.32Å; L681-L768 HydrophobicContact CD1-CD2 4.04Å; D764-L768 HydrophobicContact CB-CD1 4.29Å; D764-L768 HydrophobicContact CB-CG 4.48Å; D764-L768 WeakPolarHBondContact O-CB 3.4Å; D764-L768 WeakPolarHBondContact O-CG 3.32Å; D764-L768 PolarHBondContact O-N 2.76Å; L765-L768 PolarHBondContact O-N 3.33Å; L768-K770 VanDerWaalsContact C-N 3.33Å; L768-K770 PolarHBondContact O-N 2.88Å; L768-S771 PolarHBondContact O-N 2.6Å; L768-V772 VanDerWaalsContact O-CB 3.29Å; L768-V772 WeakPolarHBondContact O-CB 3.36Å; L768-V772 WeakPolarHBondContact O-CG2 3.22Å; L768-V772 PolarHBondContact O-N 2.85Å |
| 769 | A | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y677 A699 T702 L703 L765 P766 E767 V772 H773 | Y677-A769 HydrophobicContact CD2-CB 4.36Å; Y677-A769 HydrophobicContact CE2-CB 3.78Å; A699-A769 HydrophobicContact CB-CB 4.17Å; A699-A769 WeakPolarHBondContact CB-O 3.36Å; T702-A769 HydrophobicContact CG2-CB 4.01Å; L703-A769 HydrophobicContact CD2-CB 4.22Å; L703-A769 HydrophobicContact CG-CB 4.08Å; L765-A769 WeakPolarHBondContact O-CB 3.27Å; L765-A769 PolarHBondContact O-N 3.03Å; P766-A769 PolarHBondContact O-N 3.25Å; E767-A769 VanDerWaalsContact C-N 3.33Å; E767-A769 PolarHBondContact O-N 3.04Å; A769-V772 PolarHBondContact O-N 3.27Å; A769-H773 VanDerWaalsContact O-CB 3.32Å; A769-H773 WeakPolarHBondContact O-CB 3.3Å; A769-H773 PolarHBondContact O-N 3.11Å |
| 770 | K | 92.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 175.9 | -173.4 | -172.4 | 173.9 | -163.2 | 0 | 112 | L703 I740 P766 E767 L768 V772 H773 Q774 | L703-K770 HydrophobicContact CD2-CB 4.44Å; I740-K770 HydrophobicContact CD1-CD 3.66Å; P766-K770 PolarHBondContact O-N 3.22Å; E767-K770 WeakPolarHBondContact O-CB 3.25Å; E767-K770 PolarHBondContact O-N 3.34Å; L768-K770 VanDerWaalsContact C-N 3.33Å; L768-K770 PolarHBondContact O-N 2.88Å; K770-V772 VanDerWaalsContact C-N 3.31Å; K770-V772 PolarHBondContact O-N 3.12Å; K770-H773 PolarHBondContact O-N 3.26Å; K770-Q774 WeakPolarHBondContact O-CG 3.35Å; K770-Q774 PolarHBondContact O-N 3.28Å |
| 771 | S | 94 | Very high | 90.8 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | E767 L768 L775 | E767-S771 PolarHBondContact O-N 3.3Å; E767-S771 PolarHBondContact O-OG 3.32Å; L768-S771 PolarHBondContact O-N 2.6Å; S771-L775 WeakPolarHBondContact O-CB 3.26Å; S771-L775 PolarHBondContact O-N 2.97Å |
| 772 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 179.1 | 164.7 | 0 | 0 | 0 | 0 | 112 | Y677 F680 L681 V695 L768 A769 K770 L775 A776 | Y677-V772 HydrophobicContact CD1-CB 4.32Å; Y677-V772 HydrophobicContact CD1-CG1 3.91Å; Y677-V772 HydrophobicContact CD1-CG2 4.33Å; Y677-V772 HydrophobicContact CE1-CG1 4.46Å; Y677-V772 HydrophobicContact CG-CB 4.48Å; Y677-V772 HydrophobicContact CG-CG2 4.19Å; F680-V772 HydrophobicContact CB-CG1 4.47Å; F680-V772 HydrophobicContact CD1-CG1 3.9Å; F680-V772 HydrophobicContact CG-CG1 4.41Å; L681-V772 HydrophobicContact CD1-CG2 3.92Å; L681-V772 HydrophobicContact CD2-CG2 3.55Å; L681-V772 HydrophobicContact CG-CG2 3.5Å; V695-V772 HydrophobicContact CB-CG1 4.46Å; V695-V772 HydrophobicContact CG1-CB 4.46Å; V695-V772 HydrophobicContact CG1-CG1 2.95Å; L768-V772 VanDerWaalsContact O-CB 3.29Å; L768-V772 WeakPolarHBondContact O-CB 3.36Å; L768-V772 WeakPolarHBondContact O-CG2 3.22Å; L768-V772 PolarHBondContact O-N 2.85Å; A769-V772 PolarHBondContact O-N 3.27Å; K770-V772 VanDerWaalsContact C-N 3.31Å; K770-V772 PolarHBondContact O-N 3.12Å; V772-L775 PolarHBondContact O-N 3.1Å; V772-A776 VanDerWaalsContact O-CB 3.28Å; V772-A776 WeakPolarHBondContact O-CB 3.47Å; V772-A776 PolarHBondContact O-N 3.09Å |
| 773 | H | 91.7 | Very high | 90.8 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 174.2 | -177.2 | 87.6 | 0 | 0 | 0 | 111.1 | S696 A699 T700 A769 K770 L775 A776 V777 | S696-H773 PolarHBondContact O-ND1 2.84Å; S696-H773 PolarHBondContact OG-CE1 2.61Å; S696-H773 PolarHBondContact OG-ND1 3.27Å; A699-H773 HydrophobicContact CB-CB 3.82Å; T700-H773 PolarHBondContact OG1-CE1 2.87Å; T700-H773 PolarHBondContact OG1-ND1 3Å; A769-H773 VanDerWaalsContact O-CB 3.32Å; A769-H773 WeakPolarHBondContact O-CB 3.3Å; A769-H773 PolarHBondContact O-N 3.11Å; K770-H773 PolarHBondContact O-N 3.26Å; H773-L775 PolarHBondContact O-N 2.87Å; H773-A776 PolarHBondContact O-N 2.78Å; H773-V777 WeakPolarHBondContact O-CG2 3.19Å; H773-V777 PolarHBondContact O-N 3.34Å |
| 774 | Q | 91.6 | Very high | 91 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.3 | -71.8 | 176.4 | -23.1 | 0 | 0 | 111.9 | K770 A776 V777 Q778 | K770-Q774 WeakPolarHBondContact O-CG 3.35Å; K770-Q774 PolarHBondContact O-N 3.28Å; Q774-A776 PolarHBondContact O-N 3.3Å; Q774-V777 PolarHBondContact O-N 2.64Å; Q774-Q778 WeakPolarHBondContact O-CG 3.5Å; Q774-Q778 PolarHBondContact O-N 2.92Å |
| 775 | L | 91.9 | Very high | 90.9 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177.3 | -177.9 | 61.6 | 0 | 0 | 0 | 112 | F680 L681 S771 V772 H773 Q778 L779 | F680-L775 HydrophobicContact CD1-CD2 4.38Å; F680-L775 HydrophobicContact CE1-CD2 4.43Å; F680-L775 HydrophobicContact CE1-CG 4.44Å; L681-L775 HydrophobicContact CD2-CD2 3.71Å; S771-L775 WeakPolarHBondContact O-CB 3.26Å; S771-L775 PolarHBondContact O-N 2.97Å; V772-L775 PolarHBondContact O-N 3.1Å; H773-L775 PolarHBondContact O-N 2.87Å; L775-Q778 PolarHBondContact O-N 2.77Å; L775-L779 HydrophobicContact CD1-CD1 4.22Å; L775-L779 HydrophobicContact CD1-CG 4.16Å; L775-L779 HydrophobicContact CG-CD1 3.99Å; L775-L779 HydrophobicContact CG-CG 4.37Å; L775-L779 WeakPolarHBondContact O-CB 3.39Å; L775-L779 VanDerWaalsContact O-CG 3.27Å; L775-L779 WeakPolarHBondContact O-CG 3.41Å; L775-L779 PolarHBondContact O-N 3.03Å |
| 776 | A | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F680 C692 V772 H773 Q774 L779 Y780 | F680-A776 HydrophobicContact CE1-CB 4.04Å; F680-A776 HydrophobicContact CZ-CB 4.2Å; C692-A776 HydrophobicContact CB-CB 4.24Å; V772-A776 VanDerWaalsContact O-CB 3.28Å; V772-A776 WeakPolarHBondContact O-CB 3.47Å; V772-A776 PolarHBondContact O-N 3.09Å; H773-A776 PolarHBondContact O-N 2.78Å; Q774-A776 PolarHBondContact O-N 3.3Å; A776-L779 PolarHBondContact O-N 2.58Å; A776-Y780 WeakPolarHBondContact O-CB 3.15Å; A776-Y780 PolarHBondContact O-N 2.81Å |
| 777 | V | 90.1 | Very high | 90.3 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 111 | H773 Q774 L779 Y780 V781 T788 I791 | H773-V777 WeakPolarHBondContact O-CG2 3.19Å; H773-V777 PolarHBondContact O-N 3.34Å; Q774-V777 PolarHBondContact O-N 2.64Å; V777-L779 VanDerWaalsContact C-N 3.34Å; V777-L779 PolarHBondContact O-N 2.79Å; V777-Y780 PolarHBondContact O-N 2.95Å; V777-V781 HydrophobicContact CG1-CG2 4.43Å; V777-V781 WeakPolarHBondContact O-CG2 3.49Å; V777-V781 PolarHBondContact O-N 2.94Å; V777-T788 HydrophobicContact CG1-CG2 4.37Å; V777-I791 HydrophobicContact CB-CD1 4.17Å; V777-I791 HydrophobicContact CG1-CD1 4.34Å; V777-I791 HydrophobicContact CG2-CD1 3.8Å; V777-I791 HydrophobicContact CG2-CG2 4.27Å |
| 778 | Q | 89.9 | Confident | 89.6 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 178.7 | -75.6 | 177.4 | -8.3 | 0 | 0 | 112.2 | Q774 L775 H782 | Q774-Q778 WeakPolarHBondContact O-CG 3.5Å; Q774-Q778 PolarHBondContact O-N 2.92Å; L775-Q778 PolarHBondContact O-N 2.77Å; Q778-H782 VanDerWaalsContact O-CB 3.3Å; Q778-H782 WeakPolarHBondContact O-CB 3.38Å; Q778-H782 PolarHBondContact O-CD2 2.69Å; Q778-H782 PolarHBondContact O-N 2.66Å |
| 779 | L | 89.5 | Confident | 88.7 | Confident | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -65.7 | -43.1 | 177.7 | -71.4 | 173 | 0 | 0 | 0 | 111.8 | F680 L775 A776 V777 V781 R783 F784 | F680-L779 HydrophobicContact CE1-CD1 4.32Å; F680-L779 HydrophobicContact CZ-CD1 4.31Å; L775-L779 HydrophobicContact CD1-CD1 4.22Å; L775-L779 HydrophobicContact CD1-CG 4.16Å; L775-L779 HydrophobicContact CG-CD1 3.99Å; L775-L779 HydrophobicContact CG-CG 4.37Å; L775-L779 WeakPolarHBondContact O-CB 3.39Å; L775-L779 VanDerWaalsContact O-CG 3.27Å; L775-L779 WeakPolarHBondContact O-CG 3.41Å; L775-L779 PolarHBondContact O-N 3.03Å; A776-L779 PolarHBondContact O-N 2.58Å; V777-L779 VanDerWaalsContact C-N 3.34Å; V777-L779 PolarHBondContact O-N 2.79Å; L779-V781 PolarHBondContact O-N 3.1Å; L779-R783 HydrophobicContact CD2-CB 4.28Å; L779-R783 WeakPolarHBondContact O-CA 3.18Å; L779-R783 VanDerWaalsContact O-CB 3.26Å; L779-R783 WeakPolarHBondContact O-CB 3.18Å; L779-R783 PolarHBondContact O-N 2.98Å; L779-F784 VanDerWaalsContact O-CD2 3.3Å; L779-F784 WeakPolarHBondContact O-CD2 3.16Å; L779-F784 PolarHBondContact O-N 2.89Å |
| 780 | Y | 89.4 | Confident | 87.6 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -61 | -44.4 | 179.4 | -163.3 | -100.3 | 0 | 0 | 0 | 112.3 | A689 C692 L693 A776 V777 F784 K785 L786 S787 N790 I791 | A689-Y780 HydrophobicContact CB-CD2 4.23Å; A689-Y780 HydrophobicContact CB-CE2 4.08Å; C692-Y780 HydrophobicContact CB-CD2 4.05Å; L693-Y780 HydrophobicContact CD1-CE2 3.93Å; L693-Y780 HydrophobicContact CD2-CD2 4.15Å; L693-Y780 HydrophobicContact CD2-CE1 4.29Å; L693-Y780 HydrophobicContact CD2-CE2 3.61Å; L693-Y780 HydrophobicContact CG-CD2 4.2Å; L693-Y780 HydrophobicContact CG-CE2 3.58Å; A776-Y780 WeakPolarHBondContact O-CB 3.15Å; A776-Y780 PolarHBondContact O-N 2.81Å; V777-Y780 PolarHBondContact O-N 2.95Å; Y780-F784 WeakPolarHBondContact O-CB 3.36Å; Y780-K785 PolarHBondContact O-N 3.25Å; Y780-L786 HydrophobicContact CD1-CB 3.74Å; Y780-L786 HydrophobicContact CD2-CD1 4.14Å; Y780-L786 HydrophobicContact CE1-CB 3.3Å; Y780-L786 HydrophobicContact CE1-CD1 4.1Å; Y780-L786 HydrophobicContact CE1-CG 4.34Å; Y780-L786 HydrophobicContact CE2-CB 4.27Å; Y780-L786 HydrophobicContact CE2-CD1 3.5Å; Y780-L786 VanDerWaalsContact CE2-CD1 3.5Å; Y780-L786 HydrophobicContact CG-CB 4.38Å; Y780-L786 VanDerWaalsContact CZ-CD1 3.48Å; Y780-L786 PolarHBondContact O-N 3.46Å; Y780-S787 WeakPolarHBondContact CE1-O 3.08Å; Y780-N790 HydrophobicContact CE1-CB 3.97Å; Y780-I791 HydrophobicContact CD1-CD1 3.73Å; Y780-I791 HydrophobicContact CD1-CG1 3.88Å; Y780-I791 HydrophobicContact CE1-CG1 4.19Å; Y780-I791 HydrophobicContact CG-CD1 3.86Å; Y780-I791 HydrophobicContact CG-CG1 4.26Å |
| 781 | V | 88.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -78.2 | -54.9 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | V777 L779 K785 T788 | V777-V781 HydrophobicContact CG1-CG2 4.43Å; V777-V781 WeakPolarHBondContact O-CG2 3.49Å; V777-V781 PolarHBondContact O-N 2.94Å; L779-V781 PolarHBondContact O-N 3.1Å; V781-K785 WeakPolarHBondContact O-CA 3.09Å; V781-K785 PolarHBondContact O-N 3.28Å; V781-K785 VanDerWaalsContact O-N 3.15Å; V781-T788 VanDerWaalsContact CG2-OG1 3.31Å; V781-T788 WeakPolarHBondContact CG2-OG1 3.48Å |
| 782 | H | 88.1 | Confident | 84.8 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 68% | 0.681 | 33% | 0.331 | S | S | * | . | I | π-helix | trans | -84.2 | -40.5 | -169.8 | -64.7 | -71.2 | 0 | 0 | 0 | 113.5 | Q778 | Q778-H782 VanDerWaalsContact O-CB 3.3Å; Q778-H782 WeakPolarHBondContact O-CB 3.38Å; Q778-H782 PolarHBondContact O-CD2 2.69Å; Q778-H782 PolarHBondContact O-N 2.66Å |
| 783 | R | 87 | Confident | 83 | Confident | 143 Ų | 143 | 70.9 Ų | 70.9 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -84.1 | -46.4 | -178.3 | 176.5 | -176.8 | 177.6 | 167.4 | 1.5 | 111.6 | L779 | L779-R783 HydrophobicContact CD2-CB 4.28Å; L779-R783 WeakPolarHBondContact O-CA 3.18Å; L779-R783 VanDerWaalsContact O-CB 3.26Å; L779-R783 WeakPolarHBondContact O-CB 3.18Å; L779-R783 PolarHBondContact O-N 2.98Å |
| 784 | F | 88.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -8.9 | -177.5 | -61.5 | -68.1 | 0 | 0 | 0 | 114 | A689 L779 Y780 L786 | A689-F784 HydrophobicContact CB-CB 4.11Å; A689-F784 HydrophobicContact CB-CD1 3.99Å; A689-F784 HydrophobicContact CB-CD2 3.87Å; A689-F784 HydrophobicContact CB-CE1 4.39Å; A689-F784 HydrophobicContact CB-CE2 4.27Å; A689-F784 HydrophobicContact CB-CG 3.72Å; L779-F784 VanDerWaalsContact O-CD2 3.3Å; L779-F784 WeakPolarHBondContact O-CD2 3.16Å; L779-F784 PolarHBondContact O-N 2.89Å; Y780-F784 WeakPolarHBondContact O-CB 3.36Å; F784-L786 VanDerWaalsContact C-N 3.29Å; F784-L786 HydrophobicContact CB-CD1 4.05Å; F784-L786 HydrophobicContact CB-CG 4.23Å; F784-L786 PolarHBondContact O-N 3.18Å |
| 785 | K | 87.6 | Confident | 79.5 | Confident | 181 Ų | 181 | 72.5 Ų | 72.5 | 79% | 0.787 | 37% | 0.366 | S | S | * | . | trans | 57.3 | 38.5 | 178 | -58 | -176.7 | 178.9 | -178.6 | 0 | 113.2 | Y780 V781 | Y780-K785 PolarHBondContact O-N 3.25Å; V781-K785 WeakPolarHBondContact O-CA 3.09Å; V781-K785 PolarHBondContact O-N 3.28Å; V781-K785 VanDerWaalsContact O-N 3.15Å | ||
| 786 | L | 87.7 | Confident | 78.2 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | trans | -107.2 | 153.3 | 178.5 | -62.9 | 171.1 | 0 | 0 | 0 | 110.7 | A689 Y780 F784 | A689-L786 HydrophobicContact CB-CD1 3.8Å; Y780-L786 HydrophobicContact CD1-CB 3.74Å; Y780-L786 HydrophobicContact CD2-CD1 4.14Å; Y780-L786 HydrophobicContact CE1-CB 3.3Å; Y780-L786 HydrophobicContact CE1-CD1 4.1Å; Y780-L786 HydrophobicContact CE1-CG 4.34Å; Y780-L786 HydrophobicContact CE2-CB 4.27Å; Y780-L786 HydrophobicContact CE2-CD1 3.5Å; Y780-L786 VanDerWaalsContact CE2-CD1 3.5Å; Y780-L786 HydrophobicContact CG-CB 4.38Å; Y780-L786 VanDerWaalsContact CZ-CD1 3.48Å; Y780-L786 PolarHBondContact O-N 3.46Å; F784-L786 VanDerWaalsContact C-N 3.29Å; F784-L786 HydrophobicContact CB-CD1 4.05Å; F784-L786 HydrophobicContact CB-CG 4.23Å; F784-L786 PolarHBondContact O-N 3.18Å | ||
| 787 | S | 84 | Confident | 77.4 | Confident | 57 Ų | 57 | 78 Ų | 78 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | trans | -71.1 | 140.9 | -177.2 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | Y780 D789 N790 | Y780-S787 WeakPolarHBondContact CE1-O 3.08Å; S787-D789 PolarHBondContact O-N 3.38Å; S787-N790 PolarHBondContact O-N 2.56Å; S787-N790 PolarHBondContact OG-ND2 2.93Å; S787-N790 VanDerWaalsContact OG-ND2 3.09Å | ||
| 788 | T | 78.1 | Confident | 76.8 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.2 | 175.4 | -43.4 | 0 | 0 | 0 | 0 | 112.5 | V777 V781 N790 I791 I792 | V777-T788 HydrophobicContact CG1-CG2 4.37Å; V781-T788 VanDerWaalsContact CG2-OG1 3.31Å; V781-T788 WeakPolarHBondContact CG2-OG1 3.48Å; T788-N790 PolarHBondContact O-N 3.29Å; T788-N790 VanDerWaalsContact O-N 3.14Å; T788-I791 WeakPolarHBondContact O-CB 3.26Å; T788-I791 PolarHBondContact O-N 3.38Å; T788-I792 HydrophobicContact CG2-CD1 4.09Å; T788-I792 HydrophobicContact CG2-CG1 4.48Å; T788-I792 PolarHBondContact O-N 2.71Å |
| 789 | D | 73.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.4 | -32.2 | 179.1 | -59 | -30.5 | 0 | 0 | 0 | 112.3 | S787 I791 I792 S793 | S787-D789 PolarHBondContact O-N 3.38Å; D789-I791 VanDerWaalsContact C-N 3.29Å; D789-I791 PolarHBondContact O-N 3.33Å; D789-I792 PolarHBondContact O-N 2.57Å; D789-S793 WeakPolarHBondContact O-CB 3.08Å; D789-S793 PolarHBondContact O-N 3.23Å; D789-S793 PolarHBondContact O-OG 3.35Å |
| 790 | N | 69.9 | Low | 75.8 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -29.5 | 176.6 | -69.7 | -44.7 | 0 | 0 | 0 | 113 | Y780 S787 T788 Q794 | Y780-N790 HydrophobicContact CE1-CB 3.97Å; S787-N790 PolarHBondContact O-N 2.56Å; S787-N790 PolarHBondContact OG-ND2 2.93Å; S787-N790 VanDerWaalsContact OG-ND2 3.09Å; T788-N790 PolarHBondContact O-N 3.29Å; T788-N790 VanDerWaalsContact O-N 3.14Å; N790-Q794 VanDerWaalsContact O-CB 3.26Å; N790-Q794 WeakPolarHBondContact O-CB 3.33Å; N790-Q794 WeakPolarHBondContact O-CG 3.07Å; N790-Q794 PolarHBondContact O-N 3.07Å |
| 791 | I | 69.2 | Low | 75.5 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -77.3 | -43.1 | 177.6 | -60.7 | 177.7 | 0 | 0 | 0 | 110 | L693 S696 V777 Y780 T788 D789 | L693-I791 HydrophobicContact CD2-CG1 3.82Å; S696-I791 VanDerWaalsContact OG-CG2 3.29Å; S696-I791 WeakPolarHBondContact OG-CG2 3.39Å; V777-I791 HydrophobicContact CB-CD1 4.17Å; V777-I791 HydrophobicContact CG1-CD1 4.34Å; V777-I791 HydrophobicContact CG2-CD1 3.8Å; V777-I791 HydrophobicContact CG2-CG2 4.27Å; Y780-I791 HydrophobicContact CD1-CD1 3.73Å; Y780-I791 HydrophobicContact CD1-CG1 3.88Å; Y780-I791 HydrophobicContact CE1-CG1 4.19Å; Y780-I791 HydrophobicContact CG-CD1 3.86Å; Y780-I791 HydrophobicContact CG-CG1 4.26Å; T788-I791 WeakPolarHBondContact O-CB 3.26Å; T788-I791 PolarHBondContact O-N 3.38Å; D789-I791 VanDerWaalsContact C-N 3.29Å; D789-I791 PolarHBondContact O-N 3.33Å |
| 792 | I | 60 | Low | 75.2 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 56% | 0.559 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -73 | -40.7 | -176.5 | -58.6 | 170.2 | 0 | 0 | 0 | 110.8 | T788 D789 Q794 | T788-I792 HydrophobicContact CG2-CD1 4.09Å; T788-I792 HydrophobicContact CG2-CG1 4.48Å; T788-I792 PolarHBondContact O-N 2.71Å; D789-I792 PolarHBondContact O-N 2.57Å; I792-Q794 VanDerWaalsContact C-N 3.33Å; I792-Q794 PolarHBondContact O-N 3.12Å |
| 793 | S | 54.5 | Low | 74.8 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 51% | 0.51 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.3 | -18.7 | -180 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | D789 L795 | D789-S793 WeakPolarHBondContact O-CB 3.08Å; D789-S793 PolarHBondContact O-N 3.23Å; D789-S793 PolarHBondContact O-OG 3.35Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.28Å |
| 794 | Q | 52.1 | Low | 74.2 | Confident | 77 Ų | 77 | 77.6 Ų | 77.6 | 36% | 0.36 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 25.5 | 175.7 | -72.2 | -173.6 | 3.8 | 0 | 0 | 113.9 | Q697 N790 I792 Q796 | Q697-Q794 PolarHBondContact NE2-O 2.77Å; N790-Q794 VanDerWaalsContact O-CB 3.26Å; N790-Q794 WeakPolarHBondContact O-CB 3.33Å; N790-Q794 WeakPolarHBondContact O-CG 3.07Å; N790-Q794 PolarHBondContact O-N 3.07Å; I792-Q794 VanDerWaalsContact C-N 3.33Å; I792-Q794 PolarHBondContact O-N 3.12Å; Q794-Q796 PolarHBondContact O-N 3.03Å; Q794-Q796 VanDerWaalsContact O-N 3.15Å |
| 795 | L | 57.5 | Low | 73.6 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -51.8 | 123.4 | 154.5 | -80.2 | 158.9 | 0 | 0 | 0 | 107.3 | T700 S793 K797 | T700-L795 HydrophobicContact CG2-CD2 3.95Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.28Å; L795-K797 PolarHBondContact O-N 3.29Å |
| 796 | Q | 65.4 | Low | 72.9 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | trans | -57.3 | 111.7 | -169.5 | -74.6 | 178.7 | -11.1 | 0 | 0 | 110.6 | Q794 V805 | Q794-Q796 PolarHBondContact O-N 3.03Å; Q794-Q796 VanDerWaalsContact O-N 3.15Å; Q796-V805 WeakPolarHBondContact O-CB 3.43Å; Q796-V805 WeakPolarHBondContact O-CG2 3.27Å | ||
| 797 | K | 73.6 | Confident | 72.2 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -93 | 151.7 | 170.6 | -69 | 178.4 | 179.4 | -176.2 | 0 | 108.9 | L795 S802 E803 | L795-K797 PolarHBondContact O-N 3.29Å; K797-S802 WeakPolarHBondContact CD-O 3.46Å; K797-S802 WeakPolarHBondContact CG-O 3.07Å; K797-E803 WeakPolarHBondContact CA-O 3.35Å |
| 798 | C | 78.4 | Confident | 72 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 38% | 0.376 | C | S | . | . | trans | -57 | 127.4 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | I800 C801 S802 E803 C814 | C798-I800 PolarHBondContact O-N 3.37Å; C798-I800 VanDerWaalsContact O-N 3.15Å; C798-C801 WeakPolarHBondContact CB-SG 3.23Å; C798-C801 PolarHBondContact SG-SG 3.42Å; C798-S802 VanDerWaalsContact O-CA 3.22Å; C798-S802 WeakPolarHBondContact O-CA 3.49Å; C798-S802 PolarHBondContact O-N 2.91Å; C798-E803 PolarHBondContact N-O 3.3Å; C798-C814 HydrophobicContact CB-CB 3.66Å | ||
| 799 | P | 76.2 | Confident | 72.2 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.6 | 178.3 | 27.2 | -36.1 | 0 | 0 | 0 | 112.7 | M812 F820 T831 | P799-M812 VanDerWaalsContact CD-CE 3.42Å; P799-M812 HydrophobicContact CG-CE 4.13Å; P799-F820 HydrophobicContact CG-CD2 4.3Å; P799-F820 HydrophobicContact CG-CE1 4.08Å; P799-F820 HydrophobicContact CG-CE2 3.59Å; P799-F820 HydrophobicContact CG-CZ 3.45Å; P799-F820 VanDerWaalsContact CG-CZ 3.45Å; P799-T831 HydrophobicContact CB-CG2 4.44Å; P799-T831 HydrophobicContact CG-CG2 3.87Å |
| 800 | I | 81 | Confident | 72.7 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -54.9 | 179.1 | -61 | 172.1 | 0 | 0 | 0 | 111.3 | C798 H818 F820 | C798-I800 PolarHBondContact O-N 3.37Å; C798-I800 VanDerWaalsContact O-N 3.15Å; I800-H818 HydrophobicContact CD1-CB 4.12Å; I800-F820 HydrophobicContact CD1-CE2 4.1Å; I800-F820 HydrophobicContact CD1-CZ 3.6Å; I800-F820 HydrophobicContact CG1-CE2 4.42Å; I800-F820 HydrophobicContact CG1-CZ 3.91Å |
| 801 | C | 84.3 | Confident | 73.4 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -0.9 | -170.9 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | C798 E803 C814 Q816 | C798-C801 WeakPolarHBondContact CB-SG 3.23Å; C798-C801 PolarHBondContact SG-SG 3.42Å; C801-E803 HydrophobicContact CB-CG 4.27Å; C801-E803 PolarHBondContact O-N 3.48Å; C801-C814 PolarHBondContact SG-SG 2.89Å; C801-Q816 HydrophobicContact CB-CG 4.47Å |
| 802 | S | 81.3 | Confident | 74 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | trans | 58.2 | 7.5 | -176.2 | -61.5 | 0 | 0 | 0 | 0 | 116.1 | K797 C798 | K797-S802 WeakPolarHBondContact CD-O 3.46Å; K797-S802 WeakPolarHBondContact CG-O 3.07Å; C798-S802 VanDerWaalsContact O-CA 3.22Å; C798-S802 WeakPolarHBondContact O-CA 3.49Å; C798-S802 PolarHBondContact O-N 2.91Å | ||
| 803 | E | 80.5 | Confident | 75.2 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 160.3 | 175.8 | -73.7 | -68.1 | 163.1 | 0 | 0 | 112.8 | K797 C798 C801 C814 S815 Q816 | K797-E803 WeakPolarHBondContact CA-O 3.35Å; C798-E803 PolarHBondContact N-O 3.3Å; C801-E803 HydrophobicContact CB-CG 4.27Å; C801-E803 PolarHBondContact O-N 3.48Å; E803-C814 HydrophobicContact CB-CB 4.38Å; E803-S815 WeakPolarHBondContact CB-OG 3.42Å; E803-S815 WeakPolarHBondContact CG-OG 3.43Å; E803-Q816 HydrophobicContact CG-CG 4.43Å |
| 804 | N | 75.2 | Confident | 76.5 | Confident | 116 Ų | 116 | 55.6 Ų | 55.6 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | B | Isolated β-bridge | trans | -64.5 | 144.5 | 174.4 | -70.3 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 805 | V | 76.1 | Confident | 77.8 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.8 | -177.6 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | Q796 M812 | Q796-V805 WeakPolarHBondContact O-CB 3.43Å; Q796-V805 WeakPolarHBondContact O-CG2 3.27Å; V805-M812 HydrophobicContact CB-CG 4.23Å; V805-M812 HydrophobicContact CG1-CB 4.35Å; V805-M812 HydrophobicContact CG1-CG 3.4Å; V805-M812 HydrophobicContact CG1-SD 4.45Å; V805-M812 HydrophobicContact CG2-CG 3.74Å; V805-M812 HydrophobicContact CG2-SD 4Å |
| 806 | I | 73.1 | Confident | 78.9 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 131.1 | 172.7 | -57.9 | 170.8 | 0 | 0 | 0 | 109.5 | D808 N813 | I806-D808 PolarHBondContact O-N 3.49Å; I806-D808 VanDerWaalsContact O-N 3.09Å; I806-N813 PolarHBondContact N-O 3.02Å |
| 807 | P | 71 | Confident | 79.6 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | trans | -63.7 | 109.3 | 177.7 | -19.5 | 31.3 | 0 | 0 | 0 | 112.3 | N704 I705 | N704-P807 HydrophobicContact CB-CB 4.35Å; N704-P807 HydrophobicContact CB-CG 4.34Å; I705-P807 HydrophobicContact CG1-CB 4Å | ||
| 808 | D | 80.1 | Confident | 80.1 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | trans | -145.4 | 140.3 | 169 | -173 | -33.4 | 0 | 0 | 0 | 107.8 | K756 Y758 I806 T810 Y811 R822 | K756-D808 IonicContact NZ-OD2 3.35Å; Y758-D808 PolarHBondContact OH-OD1 3.33Å; Y758-D808 VanDerWaalsContact OH-OD1 3.06Å; I806-D808 PolarHBondContact O-N 3.49Å; I806-D808 VanDerWaalsContact O-N 3.09Å; D808-T810 VanDerWaalsContact C-N 3.34Å; D808-T810 PolarHBondContact OD1-N 3Å; D808-T810 PolarHBondContact OD1-OG1 3.43Å; D808-Y811 WeakPolarHBondContact CB-O 3.35Å; D808-Y811 PolarHBondContact OD1-N 2.86Å; D808-R822 VanDerWaalsContact O-CD 3.31Å; D808-R822 WeakPolarHBondContact O-CD 3.19Å; D808-R822 PolarHBondContact O-NE 3.02Å | ||
| 809 | L | 82.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -78.6 | -19.3 | 179.1 | -63.5 | 177.5 | 0 | 0 | 0 | 112.9 | Q669 L673 I705 Y758 R822 L827 | Q669-L809 HydrophobicContact CG-CD1 4.4Å; Q669-L809 PolarHBondContact NE2-O 2.73Å; Q669-L809 VanDerWaalsContact NE2-O 3.14Å; L673-L809 HydrophobicContact CD1-CD1 4.31Å; L673-L809 HydrophobicContact CD1-CD2 4.34Å; I705-L809 HydrophobicContact CD1-CB 4.47Å; I705-L809 HydrophobicContact CD1-CD1 4.27Å; I705-L809 HydrophobicContact CD1-CD2 3.48Å; I705-L809 VanDerWaalsContact CD1-CD2 3.48Å; I705-L809 HydrophobicContact CD1-CG 3.4Å; Y758-L809 HydrophobicContact CE1-CD1 4.45Å; L809-R822 WeakPolarHBondContact O-CD 3.31Å; L809-L827 HydrophobicContact CB-CD2 4.4Å; L809-L827 HydrophobicContact CD2-CD1 3.79Å; L809-L827 WeakPolarHBondContact O-CD2 2.91Å |
| 810 | T | 83.6 | Confident | 80.8 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -105.5 | -35.4 | -172.8 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | D808 R822 | D808-T810 VanDerWaalsContact C-N 3.34Å; D808-T810 PolarHBondContact OD1-N 3Å; D808-T810 PolarHBondContact OD1-OG1 3.43Å; T810-R822 PolarHBondContact O-N 2.85Å |
| 811 | Y | 85.7 | Confident | 81.1 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 30% | 0.302 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.1 | 179.6 | -69 | -85.6 | 0 | 0 | 0 | 110.9 | D808 F820 E821 R822 | D808-Y811 WeakPolarHBondContact CB-O 3.35Å; D808-Y811 PolarHBondContact OD1-N 2.86Å; Y811-F820 CarbonylContact C-O 3.55Å; Y811-F820 WeakPolarHBondContact CA-O 3.26Å; Y811-E821 HydrophobicContact CD1-CG 4.09Å; Y811-E821 HydrophobicContact CE1-CB 4.42Å; Y811-E821 HydrophobicContact CE1-CG 3.6Å; Y811-E821 WeakPolarHBondContact CE1-OE1 3.39Å; Y811-E821 PolarHBondContact OH-OE1 3.46Å; Y811-R822 PolarHBondContact O-NE 2.89Å |
| 812 | M | 82.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 101.6 | 169.3 | -176.1 | 179.9 | 74.8 | 0 | 0 | 106.9 | P799 V805 F820 R822 P829 | P799-M812 VanDerWaalsContact CD-CE 3.42Å; P799-M812 HydrophobicContact CG-CE 4.13Å; V805-M812 HydrophobicContact CB-CG 4.23Å; V805-M812 HydrophobicContact CG1-CB 4.35Å; V805-M812 HydrophobicContact CG1-CG 3.4Å; V805-M812 HydrophobicContact CG1-SD 4.45Å; V805-M812 HydrophobicContact CG2-CG 3.74Å; V805-M812 HydrophobicContact CG2-SD 4Å; M812-F820 HydrophobicContact CB-CB 4.19Å; M812-F820 HydrophobicContact CE-CB 3.86Å; M812-F820 HydrophobicContact CE-CD2 3.29Å; M812-F820 HydrophobicContact CE-CE2 3.99Å; M812-F820 HydrophobicContact CE-CG 3.71Å; M812-F820 PolarHBondContact N-O 2.93Å; M812-F820 PolarHBondContact O-N 2.83Å; M812-R822 HydrophobicContact CB-CG 4.36Å; M812-P829 HydrophobicContact CB-CB 4.36Å; M812-P829 HydrophobicContact CE-CB 3.49Å; M812-P829 VanDerWaalsContact CE-CB 3.49Å; M812-P829 HydrophobicContact CE-CG 3.84Å; M812-P829 HydrophobicContact SD-CB 3.66Å; M812-P829 HydrophobicContact SD-CG 3.71Å |
| 813 | N | 83.6 | Confident | 81.8 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.7 | 175.8 | -68.1 | -16.5 | 0 | 0 | 0 | 108.9 | I806 P819 | I806-N813 PolarHBondContact N-O 3.02Å; N813-P819 WeakPolarHBondContact OD1-CA 3.48Å |
| 814 | C | 82.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 173.1 | 171.2 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | C798 C801 E803 Q816 N817 H818 | C798-C814 HydrophobicContact CB-CB 3.66Å; C801-C814 PolarHBondContact SG-SG 2.89Å; E803-C814 HydrophobicContact CB-CB 4.38Å; C814-Q816 PolarHBondContact O-N 3.41Å; C814-Q816 VanDerWaalsContact O-N 3.14Å; C814-Q816 PolarHBondContact SG-N 3.27Å; C814-Q816 VanDerWaalsContact SG-N 3.4Å; C814-N817 PolarHBondContact O-N 3.27Å; C814-H818 PolarHBondContact SG-N 3.31Å; C814-H818 PolarHBondContact SG-ND1 3.39Å |
| 815 | S | 80.7 | Confident | 83.1 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | E803 N817 | E803-S815 WeakPolarHBondContact CB-OG 3.42Å; E803-S815 WeakPolarHBondContact CG-OG 3.43Å; S815-N817 VanDerWaalsContact C-N 3.33Å |
| 816 | Q | 80 | Confident | 83.7 | Confident | 121 Ų | 121 | 42 Ų | 42 | 57% | 0.565 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 13 | 176.1 | -57.8 | -60.9 | -32.7 | 0 | 0 | 113.6 | C801 E803 C814 H818 | C801-Q816 HydrophobicContact CB-CG 4.47Å; E803-Q816 HydrophobicContact CG-CG 4.43Å; C814-Q816 PolarHBondContact O-N 3.41Å; C814-Q816 VanDerWaalsContact O-N 3.14Å; C814-Q816 PolarHBondContact SG-N 3.27Å; C814-Q816 VanDerWaalsContact SG-N 3.4Å; Q816-H818 VanDerWaalsContact C-N 3.28Å; Q816-H818 PolarHBondContact O-N 3.31Å |
| 817 | N | 80.7 | Confident | 84.4 | Confident | 127 Ų | 127 | 38 Ų | 38 | 68% | 0.679 | 20% | 0.201 | S | C | * | . | trans | 57.4 | 28.4 | 178.6 | -73.7 | -27.6 | 0 | 0 | 0 | 115.8 | C814 S815 P819 | C814-N817 PolarHBondContact O-N 3.27Å; S815-N817 VanDerWaalsContact C-N 3.33Å; N817-P819 WeakPolarHBondContact O-CD 3.33Å | ||
| 818 | H | 83.3 | Confident | 85.2 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | trans | -73 | 113.1 | 166.5 | -60.4 | 109.3 | 0 | 0 | 0 | 109.5 | I800 C814 Q816 F820 | I800-H818 HydrophobicContact CD1-CB 4.12Å; C814-H818 PolarHBondContact SG-N 3.31Å; C814-H818 PolarHBondContact SG-ND1 3.39Å; Q816-H818 VanDerWaalsContact C-N 3.28Å; Q816-H818 PolarHBondContact O-N 3.31Å; H818-F820 HydrophobicContact CB-CE2 4.1Å | ||
| 819 | P | 83.6 | Confident | 85.4 | Confident | 95 Ų | 95 | 37.8 Ų | 37.8 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.9 | -176.1 | 34.3 | -25 | 0 | 0 | 0 | 110.9 | N813 N817 | N813-P819 WeakPolarHBondContact OD1-CA 3.48Å; N817-P819 WeakPolarHBondContact O-CD 3.33Å |
| 820 | F | 85.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.9 | 166 | -60.4 | -92 | 0 | 0 | 0 | 109.7 | P799 I800 Y811 M812 H818 P829 T831 | P799-F820 HydrophobicContact CG-CD2 4.3Å; P799-F820 HydrophobicContact CG-CE1 4.08Å; P799-F820 HydrophobicContact CG-CE2 3.59Å; P799-F820 HydrophobicContact CG-CZ 3.45Å; P799-F820 VanDerWaalsContact CG-CZ 3.45Å; I800-F820 HydrophobicContact CD1-CE2 4.1Å; I800-F820 HydrophobicContact CD1-CZ 3.6Å; I800-F820 HydrophobicContact CG1-CE2 4.42Å; I800-F820 HydrophobicContact CG1-CZ 3.91Å; Y811-F820 CarbonylContact C-O 3.55Å; Y811-F820 WeakPolarHBondContact CA-O 3.26Å; M812-F820 HydrophobicContact CB-CB 4.19Å; M812-F820 HydrophobicContact CE-CB 3.86Å; M812-F820 HydrophobicContact CE-CD2 3.29Å; M812-F820 HydrophobicContact CE-CE2 3.99Å; M812-F820 HydrophobicContact CE-CG 3.71Å; M812-F820 PolarHBondContact N-O 2.93Å; M812-F820 PolarHBondContact O-N 2.83Å; H818-F820 HydrophobicContact CB-CE2 4.1Å; F820-P829 HydrophobicContact CB-CB 4.13Å; F820-T831 HydrophobicContact CD1-CG2 3.97Å; F820-T831 HydrophobicContact CE1-CG2 4.08Å |
| 821 | E | 87.6 | Confident | 85.4 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141 | 171 | -55.4 | -147.2 | 152.3 | 0 | 0 | 110.1 | Y811 C830 V844 | Y811-E821 HydrophobicContact CD1-CG 4.09Å; Y811-E821 HydrophobicContact CE1-CB 4.42Å; Y811-E821 HydrophobicContact CE1-CG 3.6Å; Y811-E821 WeakPolarHBondContact CE1-OE1 3.39Å; Y811-E821 PolarHBondContact OH-OE1 3.46Å; E821-C830 PolarHBondContact O-N 3.29Å; E821-V844 HydrophobicContact CB-CG1 4.42Å; E821-V844 HydrophobicContact CB-CG2 3.43Å; E821-V844 VanDerWaalsContact CB-CG2 3.43Å; E821-V844 VanDerWaalsContact OE2-CG1 3.25Å; E821-V844 WeakPolarHBondContact OE2-CG1 3.4Å |
| 822 | R | 89.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 141.3 | 174 | -66.4 | -178.2 | 179 | -73.6 | 2 | 110.5 | D808 L809 T810 Y811 M812 M824 L827 E828 V844 | D808-R822 VanDerWaalsContact O-CD 3.31Å; D808-R822 WeakPolarHBondContact O-CD 3.19Å; D808-R822 PolarHBondContact O-NE 3.02Å; L809-R822 WeakPolarHBondContact O-CD 3.31Å; T810-R822 PolarHBondContact O-N 2.85Å; Y811-R822 PolarHBondContact O-NE 2.89Å; M812-R822 HydrophobicContact CB-CG 4.36Å; R822-M824 PolarHBondContact O-N 3.28Å; R822-M824 VanDerWaalsContact O-N 3.16Å; R822-L827 WeakPolarHBondContact CD-O 3.49Å; R822-L827 PolarHBondContact NH1-O 3.44Å; R822-E828 CarbonylContact C-O 3.49Å; R822-E828 WeakPolarHBondContact CA-O 3.31Å; R822-V844 WeakPolarHBondContact O-CG2 3.2Å |
| 823 | C | 90.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 118.5 | 166.9 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | Q825 S826 L827 E828 V844 L846 | C823-Q825 PolarHBondContact O-N 2.64Å; C823-Q825 PolarHBondContact SG-N 3.12Å; C823-S826 PolarHBondContact O-N 3.3Å; C823-S826 PolarHBondContact SG-N 3.38Å; C823-S826 VanDerWaalsContact SG-N 3.35Å; C823-S826 PolarHBondContact SG-OG 3.37Å; C823-L827 VanDerWaalsContact O-CA 3.23Å; C823-L827 WeakPolarHBondContact O-CA 3.43Å; C823-L827 PolarHBondContact O-N 3.39Å; C823-E828 WeakPolarHBondContact CB-O 3.45Å; C823-E828 PolarHBondContact N-O 2.81Å; C823-V844 WeakPolarHBondContact CA-O 3.41Å; C823-L846 HydrophobicContact CB-CG 3.84Å; C823-L846 PolarHBondContact SG-N 3.2Å |
| 824 | M | 91.7 | Very high | 84.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.7 | 179.7 | 69.2 | -175.9 | 124.7 | 0 | 0 | 113.4 | R822 R843 V844 A845 C866 I867 Y868 L873 | R822-M824 PolarHBondContact O-N 3.28Å; R822-M824 VanDerWaalsContact O-N 3.16Å; M824-R843 HydrophobicContact CE-CB 4.18Å; M824-R843 WeakPolarHBondContact CE-O 3.21Å; M824-R843 HydrophobicContact SD-CB 3.99Å; M824-V844 WeakPolarHBondContact CG-O 3.3Å; M824-V844 PolarHBondContact N-O 3.49Å; M824-A845 HydrophobicContact CE-CB 3.95Å; M824-C866 HydrophobicContact CE-CB 4.38Å; M824-C866 HydrophobicContact SD-CB 4.35Å; M824-I867 HydrophobicContact CB-CD1 4.11Å; M824-I867 HydrophobicContact CB-CG1 4.21Å; M824-I867 HydrophobicContact CG-CD1 4.36Å; M824-I867 HydrophobicContact CG-CG1 4.05Å; M824-I867 VanDerWaalsContact O-CD1 3.26Å; M824-I867 WeakPolarHBondContact O-CD1 2.78Å; M824-I867 HydrophobicContact SD-CG1 3.97Å; M824-Y868 HydrophobicContact CB-CD2 4.5Å; M824-Y868 HydrophobicContact CB-CE2 3.64Å; M824-Y868 HydrophobicContact CG-CE2 4.34Å; M824-Y868 HydrophobicContact SD-CD2 3.85Å; M824-Y868 HydrophobicContact SD-CE2 3.94Å; M824-L873 HydrophobicContact CE-CD1 4.01Å; M824-L873 HydrophobicContact CE-CD2 3.35Å; M824-L873 HydrophobicContact CE-CG 4.33Å |
| 825 | Q | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -38.6 | -176.5 | -66.1 | 172.2 | -13.4 | 0 | 0 | 113.4 | H672 C823 I861 L862 H863 M865 I867 | H672-Q825 WeakPolarHBondContact NE2-CA 3.31Å; H672-Q825 PolarHBondContact NE2-O 2.87Å; C823-Q825 PolarHBondContact O-N 2.64Å; C823-Q825 PolarHBondContact SG-N 3.12Å; Q825-I861 HydrophobicContact CB-CG2 4.45Å; Q825-I861 VanDerWaalsContact O-CG2 3.31Å; Q825-I861 WeakPolarHBondContact O-CG2 3.5Å; Q825-L862 HydrophobicContact CB-CD2 4.06Å; Q825-L862 VanDerWaalsContact OE1-CA 3.31Å; Q825-H863 PolarHBondContact NE2-O 3.44Å; Q825-H863 PolarHBondContact OE1-O 3.41Å; Q825-M865 PolarHBondContact NE2-O 3.3Å; Q825-M865 VanDerWaalsContact NE2-O 3.11Å; Q825-I867 HydrophobicContact CG-CG2 4.01Å |
| 826 | S | 88.6 | Confident | 84.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -6.3 | -174.3 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | M698 C823 E828 L846 | M698-S826 VanDerWaalsContact CG-O 3.26Å; M698-S826 WeakPolarHBondContact CG-O 3.46Å; C823-S826 PolarHBondContact O-N 3.3Å; C823-S826 PolarHBondContact SG-N 3.38Å; C823-S826 VanDerWaalsContact SG-N 3.35Å; C823-S826 PolarHBondContact SG-OG 3.37Å; S826-E828 WeakPolarHBondContact CB-OE2 3.42Å; S826-E828 PolarHBondContact O-N 3.31Å; S826-E828 PolarHBondContact OG-OE2 3.07Å; S826-L846 WeakPolarHBondContact OG-CD1 3.49Å |
| 827 | L | 87.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | 59.8 | 2.6 | -173.1 | -51.7 | -179.3 | 0 | 0 | 0 | 115.4 | L673 M698 L701 L809 R822 C823 | L673-L827 HydrophobicContact CD1-CD1 4.27Å; L673-L827 HydrophobicContact CD2-CD1 3.6Å; L673-L827 HydrophobicContact CD2-CG 4.08Å; M698-L827 HydrophobicContact CB-CD1 4.46Å; M698-L827 HydrophobicContact CG-CB 4.4Å; M698-L827 HydrophobicContact CG-CD1 4.4Å; L701-L827 HydrophobicContact CD1-CB 4.4Å; L809-L827 HydrophobicContact CB-CD2 4.4Å; L809-L827 HydrophobicContact CD2-CD1 3.79Å; L809-L827 WeakPolarHBondContact O-CD2 2.91Å; R822-L827 WeakPolarHBondContact CD-O 3.49Å; R822-L827 PolarHBondContact NH1-O 3.44Å; C823-L827 VanDerWaalsContact O-CA 3.23Å; C823-L827 WeakPolarHBondContact O-CA 3.43Å; C823-L827 PolarHBondContact O-N 3.39Å | ||
| 828 | E | 86.3 | Confident | 85.4 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | trans | -61.6 | 138.6 | 170.4 | -79.4 | 160.6 | 115.3 | 0 | 0 | 109.9 | L694 R822 C823 S826 C830 L846 R858 | L694-E828 HydrophobicContact CD1-CG 3.39Å; L694-E828 WeakPolarHBondContact CD1-OE2 3.1Å; L694-E828 WeakPolarHBondContact CD2-OE2 3.49Å; R822-E828 CarbonylContact C-O 3.49Å; R822-E828 WeakPolarHBondContact CA-O 3.31Å; C823-E828 WeakPolarHBondContact CB-O 3.45Å; C823-E828 PolarHBondContact N-O 2.81Å; S826-E828 WeakPolarHBondContact CB-OE2 3.42Å; S826-E828 PolarHBondContact O-N 3.31Å; S826-E828 PolarHBondContact OG-OE2 3.07Å; E828-C830 PolarHBondContact O-N 3.2Å; E828-L846 HydrophobicContact CB-CD1 3.81Å; E828-L846 HydrophobicContact CB-CD2 4.36Å; E828-L846 HydrophobicContact CB-CG 4.31Å; E828-L846 VanDerWaalsContact CD-CD1 3.46Å; E828-L846 HydrophobicContact CG-CD1 4.24Å; E828-L846 WeakPolarHBondContact OE2-CD1 3.2Å; E828-R858 IonicContact OE1-CZ 2.65Å; E828-R858 IonicContact OE1-NH1 3.84Å; E828-R858 IonicContact OE1-NH2 2.78Å; E828-R858 PolarHBondContact OE1-NH2 3.2Å; E828-R858 IonicContact OE2-CZ 3.36Å; E828-R858 IonicContact OE2-NH2 2.67Å; E828-R858 PolarHBondContact OE2-NH2 2.72Å; E828-R858 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 829 | P | 85.2 | Confident | 85.3 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 16% | 0.156 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 130.4 | 171.2 | 29.4 | -34.7 | 0 | 0 | 0 | 109.8 | M812 F820 T831 | M812-P829 HydrophobicContact CB-CB 4.36Å; M812-P829 HydrophobicContact CE-CB 3.49Å; M812-P829 VanDerWaalsContact CE-CB 3.49Å; M812-P829 HydrophobicContact CE-CG 3.84Å; M812-P829 HydrophobicContact SD-CB 3.66Å; M812-P829 HydrophobicContact SD-CG 3.71Å; F820-P829 HydrophobicContact CB-CB 4.13Å; P829-T831 VanDerWaalsContact C-N 3.28Å; P829-T831 HydrophobicContact CB-CG2 4.1Å; P829-T831 HydrophobicContact CG-CG2 4.19Å; P829-T831 PolarHBondContact O-N 3.17Å |
| 830 | C | 85.4 | Confident | 85.3 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | trans | -76 | 82.9 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 109 | E821 E828 F835 V844 | E821-C830 PolarHBondContact O-N 3.29Å; E828-C830 PolarHBondContact O-N 3.2Å; C830-F835 HydrophobicContact CB-CB 4.32Å; C830-F835 HydrophobicContact CB-CG 4.49Å; C830-V844 HydrophobicContact CB-CG2 4.13Å; C830-V844 VanDerWaalsContact SG-CG2 3.57Å | ||
| 831 | T | 81.2 | Confident | 85.4 | Confident | 71 Ų | 71 | 31.3 Ų | 31.3 | 44% | 0.436 | 18% | 0.175 | S | C | . | . | trans | -89.5 | -19.8 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | P799 F820 P829 | P799-T831 HydrophobicContact CB-CG2 4.44Å; P799-T831 HydrophobicContact CG-CG2 3.87Å; F820-T831 HydrophobicContact CD1-CG2 3.97Å; F820-T831 HydrophobicContact CE1-CG2 4.08Å; P829-T831 VanDerWaalsContact C-N 3.28Å; P829-T831 HydrophobicContact CB-CG2 4.1Å; P829-T831 HydrophobicContact CG-CG2 4.19Å; P829-T831 PolarHBondContact O-N 3.17Å | ||
| 832 | D | 78.3 | Confident | 85.5 | Confident | 80 Ų | 80 | 32.9 Ų | 32.9 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -69.1 | 144.3 | 179.9 | -68.1 | -32.6 | 0 | 0 | 0 | 110.9 | M834 | D832-M834 PolarHBondContact O-N 3.23Š|
| 833 | P | 76.4 | Confident | 85.5 | Confident | 91 Ų | 91 | 35 Ų | 35 | 59% | 0.591 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -64.4 | -20.4 | 178.1 | 26.6 | -34.6 | 0 | 0 | 0 | 112.6 | F878 | P833-F878 PolarHBondContact O-N 3.23Å; P833-F878 VanDerWaalsContact O-N 3.15Å |
| 834 | M | 76.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 35.3 Ų | 35.3 | 35% | 0.345 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.8 | 173.3 | -61.5 | -168.3 | 77.4 | 0 | 0 | 109.6 | D832 S847 W875 E877 | D832-M834 PolarHBondContact O-N 3.23Å; M834-S847 PolarHBondContact O-OG 3.04Å; M834-W875 HydrophobicContact CB-CZ3 4.42Å; M834-W875 HydrophobicContact CE-CE3 4.13Å; M834-W875 HydrophobicContact CE-CZ3 4.32Å; M834-E877 HydrophobicContact CE-CG 4.13Å; M834-E877 WeakPolarHBondContact CE-OE1 3.32Å; M834-E877 HydrophobicContact CG-CG 4.35Å |
| 835 | F | 83 | Confident | 85.3 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 170.3 | 172.6 | 56 | -80.5 | 0 | 0 | 0 | 109.3 | C830 V844 K876 F878 | C830-F835 HydrophobicContact CB-CB 4.32Å; C830-F835 HydrophobicContact CB-CG 4.49Å; F835-V844 HydrophobicContact CD2-CB 3.85Å; F835-V844 HydrophobicContact CD2-CG1 3.46Å; F835-V844 VanDerWaalsContact CD2-CG1 3.46Å; F835-V844 HydrophobicContact CE2-CB 4.3Å; F835-V844 HydrophobicContact CE2-CG1 3.4Å; F835-K876 HydrophobicContact CD2-CB 4.45Å; F835-K876 HydrophobicContact CE1-CB 4.4Å; F835-K876 HydrophobicContact CE2-CB 3.9Å; F835-K876 HydrophobicContact CE2-CD 4.08Å; F835-K876 HydrophobicContact CE2-CG 4.47Å; F835-K876 HydrophobicContact CZ-CB 3.88Å; F835-K876 HydrophobicContact CZ-CD 3.92Å; F835-K876 HydrophobicContact CZ-CG 4.15Å; F835-K876 PolarHBondContact N-O 2.91Å; F835-K876 PolarHBondContact O-N 2.75Å; F835-F878 HydrophobicContact CD1-CD2 4.12Å; F835-F878 HydrophobicContact CD1-CE2 4.07Å; F835-F878 AromaticContact CE1-CD2 3.28Å; F835-F878 HydrophobicContact CE1-CD2 3.28Å; F835-F878 AromaticContact CE1-CE2 3.2Å; F835-F878 HydrophobicContact CE1-CE2 3.2Å; F835-F878 HydrophobicContact CE1-CG 4.12Å; F835-F878 HydrophobicContact CE1-CZ 4.03Å; F835-F878 HydrophobicContact CZ-CD2 4.08Å; F835-F878 AromaticContact CZ-CE2 3.69Å; F835-F878 HydrophobicContact CZ-CE2 3.69Å; F835-F878 HydrophobicContact CZ-CZ 4.06Å |
| 836 | R | 84.8 | Confident | 85 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 147.9 | 177 | -63.1 | -179.3 | -68 | 158.1 | 4.6 | 109.6 | V844 A845 L846 H863 L873 T874 W875 | R836-V844 CarbonylContact O-C 3.55Å; R836-V844 WeakPolarHBondContact O-CA 3.48Å; R836-A845 HydrophobicContact CB-CB 4.42Å; R836-A845 PolarHBondContact N-O 2.92Å; R836-A845 PolarHBondContact O-N 3.3Å; R836-L846 VanDerWaalsContact CZ-O 3.28Å; R836-L846 PolarHBondContact NE-O 3.39Å; R836-L846 PolarHBondContact NH2-O 2.79Å; R836-H863 PolarHBondContact NH1-O 3.45Å; R836-L873 HydrophobicContact CB-CB 4.02Å; R836-L873 HydrophobicContact CB-CD1 4.49Å; R836-T874 CarbonylContact C-O 3.55Å; R836-T874 WeakPolarHBondContact CA-O 3.15Å; R836-W875 HydrophobicContact CG-CD2 4.24Å; R836-W875 HydrophobicContact CG-CE3 4.17Å; R836-W875 HydrophobicContact CG-CZ3 4.36Å |
| 837 | H | 88.4 | Confident | 84.3 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.5 | 174.8 | 71.6 | -72.5 | 0 | 0 | 0 | 111.8 | R843 V844 L873 T874 K876 | H837-R843 CarbonylContact C-O 3.48Å; H837-R843 VanDerWaalsContact CA-O 3.31Å; H837-R843 WeakPolarHBondContact CA-O 3.33Å; H837-V844 HydrophobicContact CB-CG1 4.32Å; H837-L873 CarbonylContact O-C 3.43Å; H837-L873 WeakPolarHBondContact O-CA 3.36Å; H837-T874 PolarHBondContact CE1-OG1 2.77Å; H837-T874 PolarHBondContact N-O 3.34Å; H837-T874 PolarHBondContact ND1-O 3.08Å; H837-T874 PolarHBondContact ND1-OG1 2.98Å; H837-T874 PolarHBondContact NE2-OG1 3.33Å; H837-T874 PolarHBondContact O-N 3.35Å; H837-T874 PolarHBondContact O-OG1 3.47Å; H837-T874 VanDerWaalsContact O-OG1 3.13Å; H837-K876 WeakPolarHBondContact ND1-CB 3.24Å |
| 838 | C | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.1 | 171.5 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | Q840 C841 N842 R843 C866 L873 | C838-Q840 PolarHBondContact O-N 3.46Å; C838-Q840 VanDerWaalsContact O-N 3.12Å; C838-C841 WeakPolarHBondContact CB-SG 3.15Å; C838-C841 VanDerWaalsContact SG-SG 3.61Å; C838-N842 WeakPolarHBondContact O-CA 3.48Å; C838-N842 PolarHBondContact O-N 3.06Å; C838-R843 PolarHBondContact N-O 3.37Å; C838-C866 HydrophobicContact CB-CB 3.87Å; C838-L873 HydrophobicContact CB-CD2 3.88Å |
| 839 | S | 79.6 | Confident | 82.1 | Confident | 75 Ų | 75 | 38.5 Ų | 38.5 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.5 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 840 | Q | 83.5 | Confident | 80.7 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -42.6 | -177.9 | -173.3 | 66.4 | -5.4 | 0 | 0 | 113.7 | L49 H51 C838 L871 | L49-Q840 PolarHBondContact O-OE1 3.34Å; H51-Q840 PolarHBondContact CE1-NE2 3.5Å; H51-Q840 PolarHBondContact ND1-NE2 3.48Å; C838-Q840 PolarHBondContact O-N 3.46Å; C838-Q840 VanDerWaalsContact O-N 3.12Å; Q840-L871 HydrophobicContact CB-CD1 3.79Å; Q840-L871 HydrophobicContact CG-CD1 4.25Å |
| 841 | C | 89 | Confident | 79.1 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -0.3 | -177.1 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | C838 R843 C869 | C838-C841 WeakPolarHBondContact CB-SG 3.15Å; C838-C841 VanDerWaalsContact SG-SG 3.61Å; C841-R843 HydrophobicContact CB-CG 4.29Å; C841-R843 PolarHBondContact O-N 2.86Å; C841-R843 VanDerWaalsContact SG-CG 3.55Å; C841-C869 VanDerWaalsContact SG-SG 3.65Å |
| 842 | N | 88 | Confident | 78.4 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | trans | 56.2 | 6.2 | -176.5 | -71.5 | -31.2 | 0 | 0 | 0 | 116.3 | C838 | C838-N842 WeakPolarHBondContact O-CA 3.48Å; C838-N842 PolarHBondContact O-N 3.06Å | ||
| 843 | R | 90.1 | Very high | 78 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | trans | -65 | 139.1 | 175.5 | -62.8 | -64.2 | -167.8 | 179.9 | 2.7 | 111.1 | D665 M824 H837 C838 C841 Y868 | D665-R843 IonicContact OD2-NH2 3.84Å; M824-R843 HydrophobicContact CE-CB 4.18Å; M824-R843 WeakPolarHBondContact CE-O 3.21Å; M824-R843 HydrophobicContact SD-CB 3.99Å; H837-R843 CarbonylContact C-O 3.48Å; H837-R843 VanDerWaalsContact CA-O 3.31Å; H837-R843 WeakPolarHBondContact CA-O 3.33Å; C838-R843 PolarHBondContact N-O 3.37Å; C841-R843 HydrophobicContact CB-CG 4.29Å; C841-R843 PolarHBondContact O-N 2.86Å; C841-R843 VanDerWaalsContact SG-CG 3.55Å; R843-Y868 HydrophobicContact CB-CD2 4.18Å; R843-Y868 HydrophobicContact CB-CE2 4.13Å; R843-Y868 HydrophobicContact CG-CD2 3.82Å; R843-Y868 HydrophobicContact CG-CE2 3.76Å | ||
| 844 | V | 90.2 | Very high | 78.1 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 157 | -177 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | E821 R822 C823 M824 C830 F835 R836 H837 | E821-V844 HydrophobicContact CB-CG1 4.42Å; E821-V844 HydrophobicContact CB-CG2 3.43Å; E821-V844 VanDerWaalsContact CB-CG2 3.43Å; E821-V844 VanDerWaalsContact OE2-CG1 3.25Å; E821-V844 WeakPolarHBondContact OE2-CG1 3.4Å; R822-V844 WeakPolarHBondContact O-CG2 3.2Å; C823-V844 WeakPolarHBondContact CA-O 3.41Å; M824-V844 WeakPolarHBondContact CG-O 3.3Å; M824-V844 PolarHBondContact N-O 3.49Å; C830-V844 HydrophobicContact CB-CG2 4.13Å; C830-V844 VanDerWaalsContact SG-CG2 3.57Å; F835-V844 HydrophobicContact CD2-CB 3.85Å; F835-V844 HydrophobicContact CD2-CG1 3.46Å; F835-V844 VanDerWaalsContact CD2-CG1 3.46Å; F835-V844 HydrophobicContact CE2-CB 4.3Å; F835-V844 HydrophobicContact CE2-CG1 3.4Å; R836-V844 CarbonylContact O-C 3.55Å; R836-V844 WeakPolarHBondContact O-CA 3.48Å; H837-V844 HydrophobicContact CB-CG1 4.32Å |
| 845 | A | 88.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | M824 R836 L873 | M824-A845 HydrophobicContact CE-CB 3.95Å; R836-A845 HydrophobicContact CB-CB 4.42Å; R836-A845 PolarHBondContact N-O 2.92Å; R836-A845 PolarHBondContact O-N 3.3Å; A845-L873 HydrophobicContact CB-CD1 3.75Å |
| 846 | L | 85.1 | Confident | 78.5 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 142.3 | 176.5 | -72.8 | -179.6 | 0 | 0 | 0 | 111.9 | C823 S826 E828 R836 | C823-L846 HydrophobicContact CB-CG 3.84Å; C823-L846 PolarHBondContact SG-N 3.2Å; S826-L846 WeakPolarHBondContact OG-CD1 3.49Å; E828-L846 HydrophobicContact CB-CD1 3.81Å; E828-L846 HydrophobicContact CB-CD2 4.36Å; E828-L846 HydrophobicContact CB-CG 4.31Å; E828-L846 VanDerWaalsContact CD-CD1 3.46Å; E828-L846 HydrophobicContact CG-CD1 4.24Å; E828-L846 WeakPolarHBondContact OE2-CD1 3.2Å; R836-L846 VanDerWaalsContact CZ-O 3.28Å; R836-L846 PolarHBondContact NE-O 3.39Å; R836-L846 PolarHBondContact NH2-O 2.79Å |
| 847 | S | 73.8 | Confident | 78.7 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -74.3 | 136.3 | 159.7 | 57 | 0 | 0 | 0 | 0 | 109.7 | M834 | M834-S847 PolarHBondContact O-OG 3.04Š| ||
| 848 | V | 67.8 | Low | 78.6 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | trans | -112.1 | 125.5 | 166 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | D852 L854 L862 | V848-D852 HydrophobicContact CG1-CB 3.87Å; V848-L854 HydrophobicContact CG1-CD1 3.85Å; V848-L854 HydrophobicContact CG1-CD2 3.57Å; V848-L854 HydrophobicContact CG1-CG 3.71Å; V848-L854 HydrophobicContact CG2-CD1 4.3Å; V848-L854 HydrophobicContact CG2-CD2 4.25Å; V848-L862 HydrophobicContact CG2-CD1 3.4Å; V848-L862 VanDerWaalsContact CG2-CD1 3.4Å | ||
| 849 | S | 60.3 | Low | 78.4 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | trans | -64 | 137.3 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | Q851 D852 | S849-Q851 PolarHBondContact O-N 3.2Å; S849-Q851 PolarHBondContact OG-N 3.5Å; S849-D852 VanDerWaalsContact CB-OD2 3.28Å; S849-D852 WeakPolarHBondContact CB-OD2 3.33Å; S849-D852 PolarHBondContact N-OD2 3.33Å; S849-D852 WeakPolarHBondContact O-CB 3.36Å; S849-D852 PolarHBondContact O-N 2.73Å | ||
| 850 | P | 55.3 | Low | 78.7 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 66% | 0.662 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -20.7 | 171.3 | -24.5 | 33.8 | 0 | 0 | 0 | 113.7 | ||
| 851 | Q | 53.1 | Low | 78.9 | Confident | 174 Ų | 174 | 54.9 Ų | 54.9 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -17.3 | 177.2 | -61.6 | 170 | -2.7 | 0 | 0 | 112.7 | S849 R853 | S849-Q851 PolarHBondContact O-N 3.2Å; S849-Q851 PolarHBondContact OG-N 3.5Å; Q851-R853 PolarHBondContact O-N 2.89Å |
| 852 | D | 66.3 | Low | 78.7 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -72.9 | 112.1 | 178 | -67.1 | -34.5 | 0 | 0 | 0 | 109.8 | V848 S849 L854 | V848-D852 HydrophobicContact CG1-CB 3.87Å; S849-D852 VanDerWaalsContact CB-OD2 3.28Å; S849-D852 WeakPolarHBondContact CB-OD2 3.33Å; S849-D852 PolarHBondContact N-OD2 3.33Å; S849-D852 WeakPolarHBondContact O-CB 3.36Å; S849-D852 PolarHBondContact O-N 2.73Å; D852-L854 VanDerWaalsContact C-N 3.3Å; D852-L854 PolarHBondContact O-N 3.21Å |
| 853 | R | 69.2 | Low | 78.2 | Confident | 222 Ų | 222 | 53.5 Ų | 53.5 | 84% | 0.838 | 28% | 0.276 | S | S | * | . | trans | -68.9 | 86.3 | 172.6 | -71.5 | -172.7 | -178.9 | -173.4 | 0.7 | 110.4 | R690 Q851 | R690-R853 PolarHBondContact NH2-O 2.93Å; Q851-R853 PolarHBondContact O-N 2.89Å | ||
| 854 | L | 78.3 | Confident | 77.7 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | trans | -59 | 145.6 | 173.8 | -67 | -175 | 0 | 0 | 0 | 111.4 | V848 D852 R858 S859 L862 | V848-L854 HydrophobicContact CG1-CD1 3.85Å; V848-L854 HydrophobicContact CG1-CD2 3.57Å; V848-L854 HydrophobicContact CG1-CG 3.71Å; V848-L854 HydrophobicContact CG2-CD1 4.3Å; V848-L854 HydrophobicContact CG2-CD2 4.25Å; D852-L854 VanDerWaalsContact C-N 3.3Å; D852-L854 PolarHBondContact O-N 3.21Å; L854-R858 HydrophobicContact CD2-CB 4.33Å; L854-R858 HydrophobicContact CD2-CG 3.88Å; L854-S859 WeakPolarHBondContact CB-OG 3.49Å; L854-L862 HydrophobicContact CD2-CD1 4.37Å | ||
| 855 | S | 84.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -72.1 | 160.8 | 167.2 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | D691 W857 R858 S859 | D691-S855 PolarHBondContact OD1-OG 3.27Å; D691-S855 WeakPolarHBondContact OD2-CB 3.31Å; D691-S855 PolarHBondContact OD2-OG 3.44Å; S855-W857 PolarHBondContact O-N 3.42Å; S855-R858 PolarHBondContact O-N 3.38Å; S855-R858 VanDerWaalsContact O-N 3.11Å; S855-R858 VanDerWaalsContact OG-CB 3.29Å; S855-R858 WeakPolarHBondContact OG-CB 3.42Å; S855-R858 PolarHBondContact OG-N 3.31Å; S855-R858 VanDerWaalsContact OG-N 3.09Å; S855-S859 PolarHBondContact O-N 2.87Å; S855-S859 PolarHBondContact O-OG 3.34Å; S855-S859 VanDerWaalsContact O-OG 3.12Å | ||
| 856 | A | 85 | Confident | 77.6 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.4 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V685 Q686 M860 | V685-A856 HydrophobicContact CG1-CB 4.41Å; Q686-A856 HydrophobicContact CB-CB 4.02Å; A856-M860 VanDerWaalsContact O-CG 3.25Å; A856-M860 WeakPolarHBondContact O-CG 3.12Å; A856-M860 PolarHBondContact O-N 3.47Å |
| 857 | W | 88.7 | Confident | 78 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.7 | -178.1 | 80.5 | 0 | 0 | 0 | 112.8 | C676 F680 V685 Q686 R687 D691 L694 V695 M698 S855 S859 M860 I861 | C676-W857 PolarHBondContact O-NE1 2.95Å; F680-W857 AromaticContact CD2-CD1 3.82Å; F680-W857 AromaticContact CD2-CD2 3.91Å; F680-W857 HydrophobicContact CD2-CD2 3.91Å; F680-W857 AromaticContact CD2-CE2 3.65Å; F680-W857 AromaticContact CD2-CG 3.99Å; F680-W857 HydrophobicContact CD2-CG 3.99Å; F680-W857 HydrophobicContact CD2-CZ2 4.26Å; F680-W857 AromaticContact CD2-NE1 3.59Å; F680-W857 AromaticContact CG-NE1 3.97Å; V685-W857 HydrophobicContact CG1-CB 3.65Å; V685-W857 HydrophobicContact CG1-CG 4.39Å; Q686-W857 PolarHBondContact O-N 3.07Å; R687-W857 HydrophobicContact CG-CB 4.31Å; D691-W857 HydrophobicContact CB-CE3 3.86Å; D691-W857 HydrophobicContact CB-CZ3 4.26Å; L694-W857 HydrophobicContact CD2-CH2 4.27Å; L694-W857 HydrophobicContact CD2-CZ3 3.92Å; L694-W857 HydrophobicContact CG-CH2 4.45Å; L694-W857 HydrophobicContact CG-CZ3 4.44Å; V695-W857 HydrophobicContact CB-CH2 4.48Å; V695-W857 HydrophobicContact CB-CZ2 4.5Å; V695-W857 HydrophobicContact CG2-CD2 4.37Å; V695-W857 HydrophobicContact CG2-CE3 4.29Å; V695-W857 HydrophobicContact CG2-CH2 3.03Å; V695-W857 HydrophobicContact CG2-CZ2 3.04Å; V695-W857 HydrophobicContact CG2-CZ3 3.69Å; M698-W857 HydrophobicContact SD-CH2 4.11Å; S855-W857 PolarHBondContact O-N 3.42Å; W857-S859 PolarHBondContact O-N 2.8Å; W857-M860 PolarHBondContact O-N 3.31Å; W857-M860 VanDerWaalsContact O-N 3.14Å; W857-I861 HydrophobicContact CD2-CD1 3.67Å; W857-I861 HydrophobicContact CE3-CD1 4.17Å; W857-I861 HydrophobicContact CG-CD1 4.31Å; W857-I861 HydrophobicContact CH2-CD1 3.5Å; W857-I861 VanDerWaalsContact CH2-CD1 3.5Å; W857-I861 HydrophobicContact CZ2-CD1 2.93Å; W857-I861 HydrophobicContact CZ2-CG1 4.43Å; W857-I861 HydrophobicContact CZ3-CD1 4.09Å; W857-I861 VanDerWaalsContact NE1-CD1 3.33Å; W857-I861 PolarHBondContact O-N 2.88Å |
| 858 | R | 87.1 | Confident | 78.9 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | -177.2 | -161.8 | 166.8 | 179.9 | 133.8 | 4.8 | 111.5 | E828 L854 S855 M860 I861 L862 | E828-R858 IonicContact OE1-CZ 2.65Å; E828-R858 IonicContact OE1-NH1 3.84Å; E828-R858 IonicContact OE1-NH2 2.78Å; E828-R858 PolarHBondContact OE1-NH2 3.2Å; E828-R858 IonicContact OE2-CZ 3.36Å; E828-R858 IonicContact OE2-NH2 2.67Å; E828-R858 PolarHBondContact OE2-NH2 2.72Å; E828-R858 VanDerWaalsContact OE2-NH2 3.08Å; L854-R858 HydrophobicContact CD2-CB 4.33Å; L854-R858 HydrophobicContact CD2-CG 3.88Å; S855-R858 PolarHBondContact O-N 3.38Å; S855-R858 VanDerWaalsContact O-N 3.11Å; S855-R858 VanDerWaalsContact OG-CB 3.29Å; S855-R858 WeakPolarHBondContact OG-CB 3.42Å; S855-R858 PolarHBondContact OG-N 3.31Å; S855-R858 VanDerWaalsContact OG-N 3.09Å; R858-M860 VanDerWaalsContact C-N 3.28Å; R858-M860 PolarHBondContact O-N 3.37Å; R858-I861 PolarHBondContact O-N 3.27Å; R858-L862 HydrophobicContact CG-CD1 3.63Å; R858-L862 HydrophobicContact CG-CG 4.11Å; R858-L862 WeakPolarHBondContact O-CB 3.47Å; R858-L862 WeakPolarHBondContact O-CG 3.37Å; R858-L862 PolarHBondContact O-N 3.17Å |
| 859 | S | 83.1 | Confident | 80 | Confident | 64 Ų | 64 | 51 Ų | 51 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -30.3 | 172.7 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | L854 S855 W857 | L854-S859 WeakPolarHBondContact CB-OG 3.49Å; S855-S859 PolarHBondContact O-N 2.87Å; S855-S859 PolarHBondContact O-OG 3.34Å; S855-S859 VanDerWaalsContact O-OG 3.12Å; W857-S859 PolarHBondContact O-N 2.8Å |
| 860 | M | 85.4 | Confident | 81.4 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -79.2 | -22.4 | 179.3 | -71.1 | 178.5 | 81.7 | 0 | 0 | 113.8 | L679 V685 A856 W857 R858 | L679-M860 HydrophobicContact CD1-CB 4.38Å; L679-M860 HydrophobicContact CD1-CE 4.36Å; L679-M860 HydrophobicContact CD2-CE 3.68Å; V685-M860 HydrophobicContact CG1-SD 4.47Å; V685-M860 HydrophobicContact CG2-SD 4.43Å; A856-M860 VanDerWaalsContact O-CG 3.25Å; A856-M860 WeakPolarHBondContact O-CG 3.12Å; A856-M860 PolarHBondContact O-N 3.47Å; W857-M860 PolarHBondContact O-N 3.31Å; W857-M860 VanDerWaalsContact O-N 3.14Å; R858-M860 VanDerWaalsContact C-N 3.28Å; R858-M860 PolarHBondContact O-N 3.37Å |
| 861 | I | 87.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -98.6 | -38.6 | -177.7 | -70.6 | 168.3 | 0 | 0 | 0 | 111.7 | C676 Q825 W857 R858 H863 | C676-I861 HydrophobicContact CB-CD1 3.72Å; C676-I861 HydrophobicContact CB-CG1 4.33Å; Q825-I861 HydrophobicContact CB-CG2 4.45Å; Q825-I861 VanDerWaalsContact O-CG2 3.31Å; Q825-I861 WeakPolarHBondContact O-CG2 3.5Å; W857-I861 HydrophobicContact CD2-CD1 3.67Å; W857-I861 HydrophobicContact CE3-CD1 4.17Å; W857-I861 HydrophobicContact CG-CD1 4.31Å; W857-I861 HydrophobicContact CH2-CD1 3.5Å; W857-I861 VanDerWaalsContact CH2-CD1 3.5Å; W857-I861 HydrophobicContact CZ2-CD1 2.93Å; W857-I861 HydrophobicContact CZ2-CG1 4.43Å; W857-I861 HydrophobicContact CZ3-CD1 4.09Å; W857-I861 VanDerWaalsContact NE1-CD1 3.33Å; W857-I861 PolarHBondContact O-N 2.88Å; R858-I861 PolarHBondContact O-N 3.27Å; I861-H863 PolarHBondContact O-N 3.12Å |
| 862 | L | 84.9 | Confident | 84.2 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -78.6 | 87.2 | 177.4 | -61.6 | -176.1 | 0 | 0 | 0 | 109.9 | Q825 V848 L854 R858 | Q825-L862 HydrophobicContact CB-CD2 4.06Å; Q825-L862 VanDerWaalsContact OE1-CA 3.31Å; V848-L862 HydrophobicContact CG2-CD1 3.4Å; V848-L862 VanDerWaalsContact CG2-CD1 3.4Å; L854-L862 HydrophobicContact CD2-CD1 4.37Å; R858-L862 HydrophobicContact CG-CD1 3.63Å; R858-L862 HydrophobicContact CG-CG 4.11Å; R858-L862 WeakPolarHBondContact O-CB 3.47Å; R858-L862 WeakPolarHBondContact O-CG 3.37Å; R858-L862 PolarHBondContact O-N 3.17Å |
| 863 | H | 79 | Confident | 85 | Confident | 78 Ų | 78 | 36.4 Ų | 36.4 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | trans | -88.7 | 152.5 | -178.5 | -158.2 | -98.2 | 0 | 0 | 0 | 111.6 | Q825 R836 I861 M865 | Q825-H863 PolarHBondContact NE2-O 3.44Å; Q825-H863 PolarHBondContact OE1-O 3.41Å; R836-H863 PolarHBondContact NH1-O 3.45Å; I861-H863 PolarHBondContact O-N 3.12Å; H863-M865 WeakPolarHBondContact CE1-CG 3.43Å; H863-M865 VanDerWaalsContact ND1-CB 3.29Å; H863-M865 WeakPolarHBondContact ND1-CB 3.31Å; H863-M865 VanDerWaalsContact ND1-CG 3.35Å; H863-M865 WeakPolarHBondContact ND1-CG 3.18Å; H863-M865 PolarHBondContact ND1-N 2.96Å; H863-M865 VanDerWaalsContact ND1-N 3.11Å; H863-M865 PolarHBondContact O-N 3.18Å | ||
| 864 | P | 78.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 26 Ų | 26 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72.4 | -7.2 | 170.9 | 28.6 | -36.9 | 0 | 0 | 0 | 114.3 | Y135 L873 | Y135-P864 HydrophobicContact CD1-CB 4.16Å; P864-L873 WeakPolarHBondContact O-CG 3.44Å; P864-L873 PolarHBondContact O-N 3.24Å |
| 865 | M | 86.1 | Confident | 85 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.069 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -108.5 | 150.7 | -178.3 | -50.9 | -68.4 | 139.9 | 0 | 0 | 111.7 | Q825 H863 L871 P872 | Q825-M865 PolarHBondContact NE2-O 3.3Å; Q825-M865 VanDerWaalsContact NE2-O 3.11Å; H863-M865 WeakPolarHBondContact CE1-CG 3.43Å; H863-M865 VanDerWaalsContact ND1-CB 3.29Å; H863-M865 WeakPolarHBondContact ND1-CB 3.31Å; H863-M865 VanDerWaalsContact ND1-CG 3.35Å; H863-M865 WeakPolarHBondContact ND1-CG 3.18Å; H863-M865 PolarHBondContact ND1-N 2.96Å; H863-M865 VanDerWaalsContact ND1-N 3.11Å; H863-M865 PolarHBondContact O-N 3.18Å; M865-L871 WeakPolarHBondContact CA-O 3.28Å; M865-P872 HydrophobicContact CE-CB 4.16Å; M865-P872 HydrophobicContact CE-CG 4.01Å; M865-P872 WeakPolarHBondContact SD-CA 3.42Å; M865-P872 HydrophobicContact SD-CB 4.04Å; M865-P872 HydrophobicContact SD-CG 3.74Å; M865-P872 VanDerWaalsContact SD-N 3.37Å |
| 866 | C | 91.2 | Very high | 84.3 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | trans | -65 | 131.9 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | M824 C838 Y868 C869 D870 L871 L873 | M824-C866 HydrophobicContact CE-CB 4.38Å; M824-C866 HydrophobicContact SD-CB 4.35Å; C838-C866 HydrophobicContact CB-CB 3.87Å; C866-Y868 PolarHBondContact O-N 2.89Å; C866-Y868 PolarHBondContact SG-N 2.9Å; C866-Y868 VanDerWaalsContact SG-N 3.42Å; C866-C869 HydrophobicContact CB-CB 4.18Å; C866-C869 PolarHBondContact SG-N 3.22Å; C866-C869 VanDerWaalsContact SG-N 3.44Å; C866-D870 WeakPolarHBondContact O-CA 3.44Å; C866-D870 PolarHBondContact O-N 3.28Å; C866-L871 PolarHBondContact N-O 3.31Å; C866-L873 HydrophobicContact CB-CD2 3.76Å | ||
| 867 | I | 92.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.3 | 177.9 | 64.6 | 169.3 | 0 | 0 | 0 | 112.6 | Q636 I668 H672 M824 Q825 | Q636-I867 PolarHBondContact NE2-O 2.91Å; I668-I867 WeakPolarHBondContact CG2-O 3.37Å; H672-I867 HydrophobicContact CB-CD1 4Å; M824-I867 HydrophobicContact CB-CD1 4.11Å; M824-I867 HydrophobicContact CB-CG1 4.21Å; M824-I867 HydrophobicContact CG-CD1 4.36Å; M824-I867 HydrophobicContact CG-CG1 4.05Å; M824-I867 VanDerWaalsContact O-CD1 3.26Å; M824-I867 WeakPolarHBondContact O-CD1 2.78Å; M824-I867 HydrophobicContact SD-CG1 3.97Å; Q825-I867 HydrophobicContact CG-CG2 4.01Å |
| 868 | Y | 93.9 | Very high | 81.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -40.4 | -176.4 | -54.9 | -71.3 | 0 | 0 | 0 | 113.4 | Q636 R639 D665 I668 Q669 M824 R843 C866 | Q636-Y868 WeakPolarHBondContact CG-O 3.37Å; R639-Y868 WeakPolarHBondContact CD-O 3.46Å; D665-Y868 HydrophobicContact CB-CD1 4.37Å; D665-Y868 HydrophobicContact CB-CE1 4.24Å; D665-Y868 WeakPolarHBondContact O-CE1 3.37Å; I668-Y868 HydrophobicContact CB-CD1 4.03Å; I668-Y868 HydrophobicContact CB-CE1 4.3Å; I668-Y868 HydrophobicContact CG2-CD1 3.69Å; I668-Y868 HydrophobicContact CG2-CE1 4.08Å; Q669-Y868 HydrophobicContact CB-CE1 4.25Å; M824-Y868 HydrophobicContact CB-CD2 4.5Å; M824-Y868 HydrophobicContact CB-CE2 3.64Å; M824-Y868 HydrophobicContact CG-CE2 4.34Å; M824-Y868 HydrophobicContact SD-CD2 3.85Å; M824-Y868 HydrophobicContact SD-CE2 3.94Å; R843-Y868 HydrophobicContact CB-CD2 4.18Å; R843-Y868 HydrophobicContact CB-CE2 4.13Å; R843-Y868 HydrophobicContact CG-CD2 3.82Å; R843-Y868 HydrophobicContact CG-CE2 3.76Å; C866-Y868 PolarHBondContact O-N 2.89Å; C866-Y868 PolarHBondContact SG-N 2.9Å; C866-Y868 VanDerWaalsContact SG-N 3.42Å |
| 869 | C | 91.1 | Very high | 81.5 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -14.1 | -174.5 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | L572 R639 C841 C866 L871 | L572-C869 WeakPolarHBondContact CD2-O 3.31Å; R639-C869 PolarHBondContact NH1-SG 2.87Å; C841-C869 VanDerWaalsContact SG-SG 3.65Å; C866-C869 HydrophobicContact CB-CB 4.18Å; C866-C869 PolarHBondContact SG-N 3.22Å; C866-C869 VanDerWaalsContact SG-N 3.44Å; C869-L871 HydrophobicContact CB-CB 4.3Å; C869-L871 HydrophobicContact CB-CD1 4.11Å; C869-L871 HydrophobicContact CB-CG 4.07Å; C869-L871 PolarHBondContact O-N 3.13Å; C869-L871 VanDerWaalsContact O-N 3.09Å |
| 870 | D | 90.2 | Very high | 81.5 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | trans | 51.5 | 31.4 | -171.5 | -167.4 | 41.3 | 0 | 0 | 0 | 113.5 | P571 L572 N573 C866 | P571-D870 WeakPolarHBondContact CB-OD2 3.48Å; L572-D870 HydrophobicContact CB-CB 3.94Å; L572-D870 PolarHBondContact N-OD2 2.8Å; N573-D870 VanDerWaalsContact CB-O 3.27Å; N573-D870 WeakPolarHBondContact CB-O 3.47Å; N573-D870 PolarHBondContact N-O 3.35Å; C866-D870 WeakPolarHBondContact O-CA 3.44Å; C866-D870 PolarHBondContact O-N 3.28Å | ||
| 871 | L | 86.5 | Confident | 81.2 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | trans | -104.2 | 150.5 | 174 | -65 | 174.8 | 0 | 0 | 0 | 110.1 | L49 V576 Q840 M865 C866 C869 L873 | L49-L871 HydrophobicContact CD1-CD1 3.87Å; L49-L871 HydrophobicContact CD1-CD2 3.91Å; V576-L871 HydrophobicContact CG2-CD2 4.34Å; Q840-L871 HydrophobicContact CB-CD1 3.79Å; Q840-L871 HydrophobicContact CG-CD1 4.25Å; M865-L871 WeakPolarHBondContact CA-O 3.28Å; C866-L871 PolarHBondContact N-O 3.31Å; C869-L871 HydrophobicContact CB-CB 4.3Å; C869-L871 HydrophobicContact CB-CD1 4.11Å; C869-L871 HydrophobicContact CB-CG 4.07Å; C869-L871 PolarHBondContact O-N 3.13Å; C869-L871 VanDerWaalsContact O-N 3.09Å; L871-L873 PolarHBondContact O-N 3.03Å | ||
| 872 | P | 80.1 | Confident | 80.9 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 31% | 0.312 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -55.9 | 137.8 | 176.5 | -23.2 | 32.2 | 0 | 0 | 0 | 112.2 | T157 M865 | T157-P872 HydrophobicContact CG2-CB 4.09Å; M865-P872 HydrophobicContact CE-CB 4.16Å; M865-P872 HydrophobicContact CE-CG 4.01Å; M865-P872 WeakPolarHBondContact SD-CA 3.42Å; M865-P872 HydrophobicContact SD-CB 4.04Å; M865-P872 HydrophobicContact SD-CG 3.74Å; M865-P872 VanDerWaalsContact SD-N 3.37Å |
| 873 | L | 83.1 | Confident | 80.6 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.6 | 175.2 | -59.5 | 172.2 | 0 | 0 | 0 | 111 | M824 R836 H837 C838 A845 P864 C866 L871 | M824-L873 HydrophobicContact CE-CD1 4.01Å; M824-L873 HydrophobicContact CE-CD2 3.35Å; M824-L873 HydrophobicContact CE-CG 4.33Å; R836-L873 HydrophobicContact CB-CB 4.02Å; R836-L873 HydrophobicContact CB-CD1 4.49Å; H837-L873 CarbonylContact O-C 3.43Å; H837-L873 WeakPolarHBondContact O-CA 3.36Å; C838-L873 HydrophobicContact CB-CD2 3.88Å; A845-L873 HydrophobicContact CB-CD1 3.75Å; P864-L873 WeakPolarHBondContact O-CG 3.44Å; P864-L873 PolarHBondContact O-N 3.24Å; C866-L873 HydrophobicContact CB-CD2 3.76Å; L871-L873 PolarHBondContact O-N 3.03Å |
| 874 | T | 74.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 155.6 | -176.9 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | T157 R836 H837 | T157-T874 HydrophobicContact CG2-CG2 3.63Å; T157-T874 WeakPolarHBondContact OG1-CA 3.48Å; T157-T874 WeakPolarHBondContact OG1-CB 3.43Å; T157-T874 WeakPolarHBondContact OG1-CG2 3.46Å; R836-T874 CarbonylContact C-O 3.55Å; R836-T874 WeakPolarHBondContact CA-O 3.15Å; H837-T874 PolarHBondContact CE1-OG1 2.77Å; H837-T874 PolarHBondContact N-O 3.34Å; H837-T874 PolarHBondContact ND1-O 3.08Å; H837-T874 PolarHBondContact ND1-OG1 2.98Å; H837-T874 PolarHBondContact NE2-OG1 3.33Å; H837-T874 PolarHBondContact O-N 3.35Å; H837-T874 PolarHBondContact O-OG1 3.47Å; H837-T874 VanDerWaalsContact O-OG1 3.13Å |
| 875 | W | 73.2 | Confident | 80.9 | Confident | 62 Ų | 62 | 46 Ų | 46 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 143 | 173 | -69.8 | 105.6 | 0 | 0 | 0 | 110.2 | M834 R836 | M834-W875 HydrophobicContact CB-CZ3 4.42Å; M834-W875 HydrophobicContact CE-CE3 4.13Å; M834-W875 HydrophobicContact CE-CZ3 4.32Å; R836-W875 HydrophobicContact CG-CD2 4.24Å; R836-W875 HydrophobicContact CG-CE3 4.17Å; R836-W875 HydrophobicContact CG-CZ3 4.36Å |
| 876 | K | 67.7 | Low | 80.5 | Confident | 100 Ų | 100 | 48.5 Ų | 48.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.4 | 164.5 | -155.4 | 166.4 | 175.4 | -179.6 | 0 | 108.4 | F835 H837 | F835-K876 HydrophobicContact CD2-CB 4.45Å; F835-K876 HydrophobicContact CE1-CB 4.4Å; F835-K876 HydrophobicContact CE2-CB 3.9Å; F835-K876 HydrophobicContact CE2-CD 4.08Å; F835-K876 HydrophobicContact CE2-CG 4.47Å; F835-K876 HydrophobicContact CZ-CB 3.88Å; F835-K876 HydrophobicContact CZ-CD 3.92Å; F835-K876 HydrophobicContact CZ-CG 4.15Å; F835-K876 PolarHBondContact N-O 2.91Å; F835-K876 PolarHBondContact O-N 2.75Å; H837-K876 WeakPolarHBondContact ND1-CB 3.24Å |
| 877 | E | 64.7 | Low | 79.6 | Confident | 139 Ų | 139 | 52.3 Ų | 52.3 | 65% | 0.65 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.4 | 163.7 | -68.7 | 179.3 | -179.7 | 0 | 0 | 107.1 | M834 | M834-E877 HydrophobicContact CE-CG 4.13Å; M834-E877 WeakPolarHBondContact CE-OE1 3.32Å; M834-E877 HydrophobicContact CG-CG 4.35Å |
| 878 | F | 57.5 | Low | 78.4 | Confident | 207 Ų | 207 | 55.6 Ų | 55.6 | 91% | 0.908 | 26% | 0.258 | S | S | * | . | trans | -68.7 | 0 | 174 | -104.5 | -61 | 0 | 0 | 0 | 112.5 | P833 F835 | P833-F878 PolarHBondContact O-N 3.23Å; P833-F878 VanDerWaalsContact O-N 3.15Å; F835-F878 HydrophobicContact CD1-CD2 4.12Å; F835-F878 HydrophobicContact CD1-CE2 4.07Å; F835-F878 AromaticContact CE1-CD2 3.28Å; F835-F878 HydrophobicContact CE1-CD2 3.28Å; F835-F878 AromaticContact CE1-CE2 3.2Å; F835-F878 HydrophobicContact CE1-CE2 3.2Å; F835-F878 HydrophobicContact CE1-CG 4.12Å; F835-F878 HydrophobicContact CE1-CZ 4.03Å; F835-F878 HydrophobicContact CZ-CD2 4.08Å; F835-F878 AromaticContact CZ-CE2 3.69Å; F835-F878 HydrophobicContact CZ-CE2 3.69Å; F835-F878 HydrophobicContact CZ-CZ 4.06Å |
Retrieved 878 of 878 residues in 229 ms
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