| 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 | 30.4 | Very low | 35.9 | Very low | 244 Ų | 244 | 92.3 Ų | 92.3 | 100% | 1.202 | 47% | 0.465 | S | S | * | . | 0 | 135.9 | 0 | -78.7 | 173.1 | -102.2 | 0 | 0 | 107 | |||||
| 2 | I | 24.9 | Very low | 37.1 | Very low | 181 Ų | 181 | 86.8 Ų | 86.8 | 93% | 0.928 | 44% | 0.437 | S | S | * | . | trans | -98.8 | 115.2 | -175.9 | -59.7 | 168.3 | 0 | 0 | 0 | 106.4 | ||||
| 3 | A | 28.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 85 Ų | 85 | 69% | 0.694 | 44% | 0.438 | S | S | * | . | trans | -104.9 | 150.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | P | 31.1 | Very low | 38.7 | Very low | 110 Ų | 110 | 91.8 Ų | 91.8 | 71% | 0.714 | 46% | 0.463 | S | S | * | . | trans | -73.2 | 164.6 | -163.3 | 29.9 | -35.3 | 0 | 0 | 0 | 113.4 | ||||
| 5 | R | 30.6 | Very low | 39.3 | Very low | 226 Ų | 226 | 90.7 Ų | 90.7 | 85% | 0.853 | 47% | 0.468 | S | S | * | . | trans | -59.9 | 148.7 | 165.7 | -71.1 | 177 | 170.9 | 177.1 | -6.2 | 109.2 | ||||
| 6 | Q | 38.2 | Very low | 40.1 | Very low | 87 Ų | 87 | 93.5 Ų | 93.5 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | trans | -144 | 171.2 | 171.2 | -51.6 | -149.5 | -105.5 | 0 | 0 | 110.8 | E50 S90 N91 | Q6-E50 WeakPolarHBondContact CA-OE1 3.43Å; Q6-E50 VanDerWaalsContact CA-OE2 3.32Å; Q6-E50 WeakPolarHBondContact CA-OE2 3.47Å; Q6-E50 WeakPolarHBondContact CB-OE1 3.29Å; Q6-E50 WeakPolarHBondContact CG-OE1 3.41Å; Q6-E50 PolarHBondContact NE2-OE1 2.86Å; Q6-S90 PolarHBondContact OE1-OG 3Å; Q6-N91 VanDerWaalsContact C-ND2 3.32Å; Q6-N91 PolarHBondContact O-ND2 2.83Å | ||
| 7 | R | 35.1 | Very low | 40.8 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 31% | 0.306 | 46% | 0.458 | S | S | . | . | trans | -145.8 | 148.8 | -174.7 | -81.7 | 177.9 | 166.1 | -168.8 | -5.6 | 109 | F49 V69 E71 N91 | R7-F49 VanDerWaalsContact CB-C 3.46Å; R7-F49 HydrophobicContact CB-CB 3.65Å; R7-F49 WeakPolarHBondContact CB-O 2.98Å; R7-F49 WeakPolarHBondContact CD-O 3.43Å; R7-V69 HydrophobicContact CB-CG2 3.53Å; R7-V69 HydrophobicContact CG-CG2 3.58Å; R7-E71 IonicContact CZ-OE1 2.78Å; R7-E71 IonicContact NE-OE1 2.73Å; R7-E71 PolarHBondContact NE-OE1 2.74Å; R7-E71 IonicContact NH2-OE1 3.38Å; R7-E71 PolarHBondContact NH2-OE1 2.98Å; R7-N91 VanDerWaalsContact CA-ND2 3.32Å; R7-N91 WeakPolarHBondContact CA-ND2 3.48Å; R7-N91 PolarHBondContact N-ND2 3.14Å | ||
| 8 | V | 39.2 | Very low | 41.6 | Very low | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 44% | 0.436 | C | S | . | . | trans | -155 | 153.6 | -177.2 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | I10 V69 P89 N91 A187 I188 D189 | V8-I10 HydrophobicContact CB-CD1 4.17Å; V8-I10 HydrophobicContact CG1-CD1 4.31Å; V8-I10 WeakPolarHBondContact O-CG1 3.45Å; V8-V69 WeakPolarHBondContact O-CA 3.42Å; V8-P89 HydrophobicContact CG1-CB 4.21Å; V8-P89 HydrophobicContact CG2-CB 4.27Å; V8-N91 HydrophobicContact CB-CB 3.91Å; V8-N91 VanDerWaalsContact CB-O 3.23Å; V8-N91 WeakPolarHBondContact CB-O 3.13Å; V8-N91 VanDerWaalsContact CG1-O 3.22Å; V8-N91 WeakPolarHBondContact CG1-O 3.42Å; V8-N91 HydrophobicContact CG2-CB 4.11Å; V8-A187 HydrophobicContact CG1-CB 4.46Å; V8-I188 WeakPolarHBondContact CG1-O 3.29Å; V8-D189 HydrophobicContact CG1-CB 4.13Å; V8-D189 HydrophobicContact CG2-CB 4.17Å; V8-D189 WeakPolarHBondContact CG2-OD2 3.18Å | ||
| 9 | L | 39.4 | Very low | 42.6 | Very low | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.2 | -173.3 | -167.2 | 88.5 | 0 | 0 | 0 | 113.9 | Y26 F49 W67 N68 F102 I188 | L9-Y26 HydrophobicContact CD1-CD1 4.14Å; L9-Y26 HydrophobicContact CD1-CD2 4.17Å; L9-Y26 HydrophobicContact CD1-CG 3.62Å; L9-F49 HydrophobicContact CB-CD1 4.14Å; L9-F49 HydrophobicContact CB-CE1 3.52Å; L9-F49 HydrophobicContact CB-CE2 4.08Å; L9-F49 HydrophobicContact CB-CZ 3.48Å; L9-F49 VanDerWaalsContact CB-CZ 3.48Å; L9-F49 HydrophobicContact CD1-CE1 4.07Å; L9-F49 HydrophobicContact CD2-CE1 4.25Å; L9-F49 HydrophobicContact CD2-CZ 4.32Å; L9-F49 HydrophobicContact CG-CE1 4.15Å; L9-F49 HydrophobicContact CG-CZ 4.38Å; L9-W67 HydrophobicContact CB-CE3 4.28Å; L9-W67 HydrophobicContact CD1-CB 3.76Å; L9-W67 HydrophobicContact CD2-CB 3.63Å; L9-W67 HydrophobicContact CD2-CD2 3.5Å; L9-W67 HydrophobicContact CD2-CE3 3.48Å; L9-W67 VanDerWaalsContact CD2-CE3 3.48Å; L9-W67 HydrophobicContact CD2-CG 3.66Å; L9-W67 HydrophobicContact CD2-CZ3 4.16Å; L9-W67 HydrophobicContact CG-CB 3.59Å; L9-W67 HydrophobicContact CG-CD2 3.99Å; L9-W67 HydrophobicContact CG-CE3 3.64Å; L9-W67 HydrophobicContact CG-CG 4.08Å; L9-W67 HydrophobicContact CG-CZ3 4.46Å; L9-W67 WeakPolarHBondContact O-CZ3 3.49Å; L9-N68 CarbonylContact C-O 3.57Å; L9-N68 VanDerWaalsContact CA-O 3.31Å; L9-N68 WeakPolarHBondContact CA-O 3.46Å; L9-F102 HydrophobicContact CD1-CD2 4.11Å; L9-F102 HydrophobicContact CD1-CE2 3.66Å; L9-F102 HydrophobicContact CD1-CZ 3.9Å; L9-F102 HydrophobicContact CD2-CB 3.78Å; L9-F102 HydrophobicContact CD2-CD1 3.36Å; L9-F102 HydrophobicContact CD2-CD2 3.39Å; L9-F102 HydrophobicContact CD2-CE1 3.59Å; L9-F102 HydrophobicContact CD2-CE2 3.63Å; L9-F102 HydrophobicContact CD2-CG 3.24Å; L9-F102 HydrophobicContact CD2-CZ 3.71Å; L9-F102 HydrophobicContact CG-CD2 4.36Å; L9-F102 HydrophobicContact CG-CE2 4.28Å; L9-F102 HydrophobicContact CG-CZ 4.38Å; L9-I188 HydrophobicContact CB-CD1 4.48Å; L9-I188 HydrophobicContact CB-CG1 3.9Å; L9-I188 HydrophobicContact CD2-CD1 3.69Å; L9-I188 HydrophobicContact CD2-CG1 3.99Å; L9-I188 PolarHBondContact N-O 3.41Å; L9-I188 PolarHBondContact O-N 3.32Å |
| 10 | I | 50.4 | Low | 43.5 | Very low | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 149.8 | -156.8 | 24.5 | -160.8 | 0 | 0 | 0 | 114.9 | V8 N68 M70 N91 A92 A93 A186 A187 | V8-I10 HydrophobicContact CB-CD1 4.17Å; V8-I10 HydrophobicContact CG1-CD1 4.31Å; V8-I10 WeakPolarHBondContact O-CG1 3.45Å; I10-N68 WeakPolarHBondContact CG1-O 3.42Å; I10-N68 PolarHBondContact N-O 2.81Å; I10-N68 WeakPolarHBondContact O-CA 3.31Å; I10-N68 WeakPolarHBondContact O-CB 3.27Å; I10-N68 PolarHBondContact O-N 3.31Å; I10-M70 HydrophobicContact CD1-CB 4.41Å; I10-M70 HydrophobicContact CD1-CE 4.35Å; I10-M70 HydrophobicContact CD1-CG 3.65Å; I10-M70 HydrophobicContact CD1-SD 4.25Å; I10-M70 HydrophobicContact CG1-CG 4.13Å; I10-N91 VanDerWaalsContact CD1-C 3.43Å; I10-N91 HydrophobicContact CD1-CB 3.91Å; I10-N91 WeakPolarHBondContact CD1-O 3.49Å; I10-A92 VanDerWaalsContact CD1-C 3.47Å; I10-A92 VanDerWaalsContact CD1-N 3.31Å; I10-A93 HydrophobicContact CB-CB 3.5Å; I10-A93 HydrophobicContact CD1-CB 4.08Å; I10-A93 HydrophobicContact CG1-CB 3.93Å; I10-A93 HydrophobicContact CG2-CB 3.99Å; I10-A93 VanDerWaalsContact CG2-N 3.33Å; I10-A186 WeakPolarHBondContact CG2-O 3.27Å; I10-A187 VanDerWaalsContact CG2-CA 3.42Å; I10-A187 HydrophobicContact CG2-CB 3.22Å |
| 11 | I | 46.3 | Very low | 44.5 | Very low | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.01 | 45% | 0.45 | C | S | . | . | trans | -118.7 | 120.1 | -175.2 | -63.9 | 133.9 | 0 | 0 | 0 | 108.7 | L65 W67 A93 T94 D95 A100 A176 F179 | I11-L65 HydrophobicContact CG2-CB 3.87Å; I11-L65 HydrophobicContact CG2-CD1 3.94Å; I11-L65 HydrophobicContact CG2-CD2 4.39Å; I11-L65 HydrophobicContact CG2-CG 4.3Å; I11-W67 HydrophobicContact CD1-CD2 3.57Å; I11-W67 HydrophobicContact CD1-CE3 3.66Å; I11-W67 HydrophobicContact CD1-CG 4.1Å; I11-W67 HydrophobicContact CD1-CH2 4.33Å; I11-W67 HydrophobicContact CD1-CZ2 4.2Å; I11-W67 HydrophobicContact CD1-CZ3 4.06Å; I11-W67 HydrophobicContact CG1-CD2 4.11Å; I11-W67 HydrophobicContact CG1-CE3 4.15Å; I11-W67 HydrophobicContact CG1-CG 4.25Å; I11-A93 CarbonylContact O-C 3.34Å; I11-A93 VanDerWaalsContact O-C 3.31Å; I11-T94 CarbonylContact O-C 3.45Å; I11-T94 WeakPolarHBondContact O-CA 3.44Å; I11-T94 PolarHBondContact O-N 2.85Å; I11-D95 HydrophobicContact CG2-CB 3.62Å; I11-D95 PolarHBondContact O-N 2.65Å; I11-A100 HydrophobicContact CD1-CB 3.23Å; I11-A100 HydrophobicContact CG1-CB 3.94Å; I11-A176 HydrophobicContact CD1-CB 4.01Å; I11-F179 HydrophobicContact CD1-CZ 4.07Å | ||
| 12 | I | 50.7 | Low | 46.3 | Very low | 26 Ų | 26 | 77.8 Ų | 77.8 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | trans | -133.8 | 133 | -176 | -162.4 | 151.4 | 0 | 0 | 0 | 124.1 | F14 F18 A93 T94 D95 | I12-F14 PolarHBondContact O-N 3.44Å; I12-F18 HydrophobicContact CD1-CD2 3.38Å; I12-F18 HydrophobicContact CD1-CE2 3.5Å; I12-A93 HydrophobicContact CB-CB 3.4Å; I12-A93 HydrophobicContact CD1-CB 3.85Å; I12-A93 HydrophobicContact CG1-CB 4.16Å; I12-A93 HydrophobicContact CG2-CB 3.67Å; I12-T94 HydrophobicContact CD1-CG2 4.33Å; I12-T94 VanDerWaalsContact CD1-N 3.28Å; I12-T94 WeakPolarHBondContact CD1-OG1 3.49Å; I12-D95 VanDerWaalsContact CA-N 3.35Å | ||
| 13 | S | 46.8 | Very low | 48.4 | Very low | 64 Ų | 64 | 71.6 Ų | 71.6 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | trans | -84 | 94.2 | 153.9 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | T94 D95 | S13-T94 PolarHBondContact N-O 2.91Å; S13-D95 VanDerWaalsContact CB-OD1 3.31Å; S13-D95 WeakPolarHBondContact CB-OD1 3.5Å; S13-D95 VanDerWaalsContact N-CB 3.28Å | ||
| 14 | F | 49.6 | Very low | 50.6 | Low | 180 Ų | 180 | 70 Ų | 70 | 79% | 0.789 | 39% | 0.388 | S | S | * | . | trans | 18.6 | 144.9 | 164.5 | -90.9 | -100 | 0 | 0 | 0 | 126 | I12 D16 | I12-F14 PolarHBondContact O-N 3.44Å; F14-D16 PolarHBondContact O-N 3.05Å | ||
| 15 | S | 48.1 | Very low | 52.7 | Low | 76 Ų | 76 | 67.9 Ų | 67.9 | 53% | 0.531 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 58.9 | -61 | 162.2 | 63.7 | 0 | 0 | 0 | 0 | 120.7 | I17 F18 G19 | S15-I17 VanDerWaalsContact C-N 3.3Å; S15-I17 PolarHBondContact O-N 3.19Å; S15-I17 VanDerWaalsContact O-N 3.17Å; S15-F18 PolarHBondContact O-N 2.8Å; S15-G19 PolarHBondContact O-N 2.71Å |
| 16 | D | 51.6 | Low | 55.1 | Low | 135 Ų | 135 | 57.5 Ų | 57.5 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.4 | -149.5 | -74.7 | 14.6 | 0 | 0 | 0 | 114.7 | F14 | F14-D16 PolarHBondContact O-N 3.05Š|
| 17 | I | 53.2 | Low | 56.9 | Low | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -21.1 | -176.1 | -48 | 173.7 | 0 | 0 | 0 | 112.2 | S15 A78 A82 T94 M183 | S15-I17 VanDerWaalsContact C-N 3.3Å; S15-I17 PolarHBondContact O-N 3.19Å; S15-I17 VanDerWaalsContact O-N 3.17Å; I17-A78 HydrophobicContact CG2-CB 4.36Å; I17-A78 WeakPolarHBondContact O-CB 3.43Å; I17-A82 HydrophobicContact CD1-CB 4.01Å; I17-A82 HydrophobicContact CG2-CB 3.8Å; I17-T94 HydrophobicContact CD1-CG2 3.51Å; I17-T94 WeakPolarHBondContact CD1-OG1 3.42Å; I17-M183 HydrophobicContact CD1-CE 3.43Å; I17-M183 VanDerWaalsContact CD1-CE 3.43Å; I17-M183 HydrophobicContact CG1-CE 3.78Å |
| 18 | F | 55.2 | Low | 59.1 | Low | 11 Ų | 11 | 54.4 Ų | 54.4 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -3.6 | -168.5 | -61.4 | -68.3 | 0 | 0 | 0 | 116.1 | I12 S15 G20 A21 M70 V74 F79 F83 A92 A93 T94 | I12-F18 HydrophobicContact CD1-CD2 3.38Å; I12-F18 HydrophobicContact CD1-CE2 3.5Å; S15-F18 PolarHBondContact O-N 2.8Å; F18-G20 PolarHBondContact O-N 3.19Å; F18-A21 HydrophobicContact CB-CB 4.28Å; F18-A21 PolarHBondContact O-N 3.3Å; F18-M70 HydrophobicContact CB-CE 4.42Å; F18-M70 HydrophobicContact CD1-CE 4.15Å; F18-M70 HydrophobicContact CG-CE 4.19Å; F18-V74 HydrophobicContact CD1-CB 4.14Å; F18-V74 HydrophobicContact CD1-CG1 3.68Å; F18-V74 HydrophobicContact CD1-CG2 3.8Å; F18-V74 HydrophobicContact CE1-CB 4.44Å; F18-V74 HydrophobicContact CE1-CG1 3.62Å; F18-V74 HydrophobicContact CE1-CG2 4.13Å; F18-F79 AromaticContact CE1-CD2 3.93Å; F18-F79 HydrophobicContact CE1-CD2 3.93Å; F18-F79 HydrophobicContact CZ-CD2 4.15Å; F18-F83 HydrophobicContact CZ-CE2 4.25Å; F18-A92 HydrophobicContact CD1-CB 4.36Å; F18-A92 VanDerWaalsContact CD1-O 3.27Å; F18-A92 WeakPolarHBondContact CD1-O 3.31Å; F18-A92 VanDerWaalsContact CD2-O 3.27Å; F18-A92 WeakPolarHBondContact CD2-O 3.47Å; F18-A92 HydrophobicContact CE1-CB 3.34Å; F18-A92 WeakPolarHBondContact CE1-O 3.45Å; F18-A92 WeakPolarHBondContact CE2-O 3.3Å; F18-A92 WeakPolarHBondContact CG-O 3.43Å; F18-A92 HydrophobicContact CZ-CB 3.46Å; F18-A92 VanDerWaalsContact CZ-CB 3.46Å; F18-A92 WeakPolarHBondContact CZ-O 3.23Å; F18-A93 HydrophobicContact CE2-CB 4.5Å; F18-T94 HydrophobicContact CE2-CG2 4.17Å |
| 19 | G | 59.2 | Low | 60.8 | Low | 65 Ų | 65 | 64 Ų | 64 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -103.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S15 | S15-G19 PolarHBondContact O-N 2.71Š|
| 20 | G | 61.6 | Low | 62.5 | Low | 72 Ų | 72 | 66.7 Ų | 66.7 | 74% | 0.742 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | F18 | F18-G20 PolarHBondContact O-N 3.19Š|
| 21 | A | 64.1 | Low | 63.6 | Low | 23 Ų | 23 | 67.5 Ų | 67.5 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | trans | -70.3 | 152 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 M70 | F18-A21 HydrophobicContact CB-CB 4.28Å; F18-A21 PolarHBondContact O-N 3.3Å; A21-M70 HydrophobicContact CB-CE 3.78Å; A21-M70 HydrophobicContact CB-SD 4.36Å | ||
| 22 | R | 67.7 | Low | 64.6 | Low | 199 Ų | 199 | 71.3 Ų | 71.3 | 75% | 0.751 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.9 | 174.9 | -67.4 | -179 | 175.7 | -176.5 | -2.8 | 110.1 | M70 E71 | R22-M70 CarbonylContact O-C 3.42Å; R22-M70 WeakPolarHBondContact O-CA 2.99Å; R22-M70 VanDerWaalsContact O-CB 3.27Å; R22-M70 WeakPolarHBondContact O-CB 3.33Å; R22-E71 PolarHBondContact N-O 2.62Å; R22-E71 PolarHBondContact O-N 2.94Å |
| 23 | A | 69.2 | Low | 65 | Low | 51 Ų | 51 | 73.8 Ų | 73.8 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 149.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N68 V69 M70 | A23-N68 HydrophobicContact CB-CB 4.22Å; A23-V69 WeakPolarHBondContact CA-O 3.3Å; A23-M70 HydrophobicContact CB-CG 3.93Å; A23-M70 HydrophobicContact CB-SD 4.34Å |
| 24 | S | 74.3 | Confident | 65.6 | Low | 52 Ų | 52 | 72 Ų | 72 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 144.2 | 170.9 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | Y26 N68 V69 | S24-Y26 PolarHBondContact O-N 2.79Å; S24-N68 CarbonylContact O-C 3.56Å; S24-N68 VanDerWaalsContact O-CA 3.26Å; S24-N68 WeakPolarHBondContact O-CA 3.29Å; S24-N68 WeakPolarHBondContact O-CB 3.45Å; S24-V69 PolarHBondContact N-O 3.24Å; S24-V69 PolarHBondContact O-N 2.97Å; S24-V69 VanDerWaalsContact O-O 3.04Å |
| 25 | P | 76.2 | Confident | 66 | Low | 65 Ų | 65 | 67.7 Ų | 67.7 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 134.8 | 175.1 | -29.1 | 36.5 | 0 | 0 | 0 | 110.9 | D27 E66 N68 | P25-D27 PolarHBondContact O-N 3.16Å; P25-E66 WeakPolarHBondContact CB-OE2 3.2Å; P25-E66 WeakPolarHBondContact CG-OE2 3.15Å; P25-N68 WeakPolarHBondContact CD-OD1 3.48Å; P25-N68 VanDerWaalsContact N-OD1 3.09Å |
| 26 | Y | 81.3 | Confident | 67 | Low | 8 Ų | 8 | 64.5 Ų | 64.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | trans | -73.7 | 115.6 | 176.5 | 177.7 | -87.8 | 0 | 0 | 0 | 109.3 | L9 S24 F49 C53 W55 N57 W67 V69 F102 | L9-Y26 HydrophobicContact CD1-CD1 4.14Å; L9-Y26 HydrophobicContact CD1-CD2 4.17Å; L9-Y26 HydrophobicContact CD1-CG 3.62Å; S24-Y26 PolarHBondContact O-N 2.79Å; Y26-F49 HydrophobicContact CD2-CD1 4.06Å; Y26-F49 AromaticContact CE2-CD1 3.72Å; Y26-F49 HydrophobicContact CE2-CD1 3.72Å; Y26-F49 HydrophobicContact CE2-CE1 4.49Å; Y26-C53 PolarHBondContact OH-N 2.86Å; Y26-C53 PolarHBondContact OH-O 2.04Å; Y26-W55 WeakPolarHBondContact CE1-O 3.5Å; Y26-N57 PolarHBondContact O-ND2 2.04Å; Y26-W67 PolarHBondContact N-O 2.96Å; Y26-V69 HydrophobicContact CD2-CB 4.1Å; Y26-F102 AromaticContact CD1-CE2 3.5Å; Y26-F102 HydrophobicContact CD1-CE2 3.5Å; Y26-F102 VanDerWaalsContact CD1-CE2 3.5Å; Y26-F102 AromaticContact CD1-CZ 3.73Å; Y26-F102 HydrophobicContact CD1-CZ 3.73Å; Y26-F102 AromaticContact CE1-CE2 3.82Å; Y26-F102 HydrophobicContact CE1-CE2 3.82Å; Y26-F102 AromaticContact CE1-CZ 3.62Å; Y26-F102 HydrophobicContact CE1-CZ 3.62Å; Y26-F102 HydrophobicContact CG-CE2 4.28Å; Y26-F102 HydrophobicContact CG-CZ 4.46Å | ||
| 27 | D | 76.6 | Confident | 67.6 | Low | 102 Ų | 102 | 58.3 Ų | 58.3 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | trans | -114.3 | 137.6 | 175 | 177.7 | 30.7 | 0 | 0 | 0 | 109.1 | P25 | P25-D27 PolarHBondContact O-N 3.16Š| ||
| 28 | S | 80.3 | Confident | 68.3 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -127.7 | 103.9 | -174 | -174.3 | 0 | 0 | 0 | 0 | 113 | V30 F31 D32 S52 C53 W55 | S28-V30 PolarHBondContact O-N 2.72Å; S28-V30 PolarHBondContact OG-N 2.85Å; S28-F31 PolarHBondContact O-N 3.38Å; S28-F31 PolarHBondContact OG-N 2.89Å; S28-F31 VanDerWaalsContact OG-N 3.12Å; S28-D32 PolarHBondContact O-N 2.86Å; S28-S52 WeakPolarHBondContact CA-OG 3.45Å; S28-S52 PolarHBondContact OG-OG 3.34Å; S28-C53 WeakPolarHBondContact CB-O 3.26Å; S28-C53 PolarHBondContact OG-O 3.44Å; S28-W55 WeakPolarHBondContact CB-O 3.42Å | ||
| 29 | R | 75.9 | Confident | 69.3 | Low | 203 Ų | 203 | 60 Ų | 60 | 77% | 0.766 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.3 | -29.6 | 168.2 | -59.9 | -177.8 | -174.1 | 177.7 | 1.6 | 112.4 | S33 S52 | R29-S33 WeakPolarHBondContact O-CB 3.48Å; R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 PolarHBondContact O-OG 2.89Å; R29-S33 VanDerWaalsContact O-OG 3.1Å; R29-S52 PolarHBondContact N-OG 3.37Å |
| 30 | V | 73.7 | Confident | 69.9 | Low | 56 Ų | 56 | 62.6 Ų | 62.6 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.2 | -46.3 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | S28 D32 S33 A34 S52 C54 | S28-V30 PolarHBondContact O-N 2.72Å; S28-V30 PolarHBondContact OG-N 2.85Å; V30-D32 PolarHBondContact O-N 2.77Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.12Å; V30-S33 PolarHBondContact O-OG 3.09Å; V30-A34 VanDerWaalsContact O-CB 3.29Å; V30-A34 WeakPolarHBondContact O-CB 3.34Å; V30-A34 PolarHBondContact O-N 3.43Å; V30-S52 WeakPolarHBondContact CB-O 3.41Å; V30-S52 WeakPolarHBondContact CG2-O 3.43Å; V30-S52 PolarHBondContact N-OG 2.97Å; V30-S52 VanDerWaalsContact N-OG 3.07Å; V30-C54 HydrophobicContact CG1-CB 3.97Å |
| 31 | F | 73 | Confident | 70.8 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 174.2 | -174.9 | -81.1 | 0 | 0 | 0 | 111.5 | S28 S33 A34 N35 G36 W55 Q56 H103 C105 | S28-F31 PolarHBondContact O-N 3.38Å; S28-F31 PolarHBondContact OG-N 2.89Å; S28-F31 VanDerWaalsContact OG-N 3.12Å; F31-S33 PolarHBondContact O-N 2.85Å; F31-A34 CarbonylContact O-C 3.57Å; F31-A34 PolarHBondContact O-N 2.85Å; F31-N35 WeakPolarHBondContact O-CA 3.27Å; F31-N35 PolarHBondContact O-N 3.11Å; F31-G36 VanDerWaalsContact CZ-CA 3.5Å; F31-G36 PolarHBondContact O-N 2.79Å; F31-W55 WeakPolarHBondContact CB-O 3.42Å; F31-Q56 HydrophobicContact CB-CB 4.33Å; F31-Q56 HydrophobicContact CD1-CB 3.82Å; F31-Q56 HydrophobicContact CD1-CG 4.32Å; F31-Q56 VanDerWaalsContact CD1-OE1 3.25Å; F31-Q56 HydrophobicContact CD2-CB 3.95Å; F31-Q56 HydrophobicContact CE1-CB 4.05Å; F31-Q56 HydrophobicContact CE2-CB 4.15Å; F31-Q56 HydrophobicContact CG-CB 3.78Å; F31-Q56 HydrophobicContact CZ-CB 4.21Å; F31-H103 AromaticContact CE2-NE2 3.88Å; F31-H103 AromaticContact CZ-CE1 3.6Å; F31-H103 AromaticContact CZ-NE2 3.41Å; F31-H103 WeakPolarHBondContact CZ-NE2 3.41Å; F31-C105 HydrophobicContact CD2-CB 4.47Å; F31-C105 WeakPolarHBondContact CD2-SG 3.48Å |
| 32 | D | 67.5 | Low | 72.1 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.4 | -70.1 | -12.9 | 0 | 0 | 0 | 112.1 | S28 V30 A34 N35 Q56 | S28-D32 PolarHBondContact O-N 2.86Å; V30-D32 PolarHBondContact O-N 2.77Å; D32-A34 VanDerWaalsContact C-N 3.32Å; D32-A34 PolarHBondContact O-N 3.4Å; D32-N35 WeakPolarHBondContact O-CA 3.37Å; D32-N35 PolarHBondContact O-N 2.03Å; D32-Q56 PolarHBondContact OD1-NE2 3.31Å |
| 33 | S | 60.6 | Low | 73.1 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.9 | -32.1 | 178 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | R29 V30 F31 N35 R267 | R29-S33 WeakPolarHBondContact O-CB 3.48Å; R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 PolarHBondContact O-OG 2.89Å; R29-S33 VanDerWaalsContact O-OG 3.1Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.12Å; V30-S33 PolarHBondContact O-OG 3.09Å; F31-S33 PolarHBondContact O-N 2.85Å; S33-N35 VanDerWaalsContact C-N 3.27Å; S33-R267 PolarHBondContact O-NH1 2.85Å; S33-R267 VanDerWaalsContact O-NH1 3.09Å |
| 34 | A | 58.3 | Low | 73.9 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V30 F31 D32 G36 G37 C54 | V30-A34 VanDerWaalsContact O-CB 3.29Å; V30-A34 WeakPolarHBondContact O-CB 3.34Å; V30-A34 PolarHBondContact O-N 3.43Å; F31-A34 CarbonylContact O-C 3.57Å; F31-A34 PolarHBondContact O-N 2.85Å; D32-A34 VanDerWaalsContact C-N 3.32Å; D32-A34 PolarHBondContact O-N 3.4Å; A34-G36 PolarHBondContact O-N 2.86Å; A34-G37 PolarHBondContact O-N 3.24Å; A34-C54 VanDerWaalsContact CB-SG 3.51Å |
| 35 | N | 59.1 | Low | 74.8 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 40.7 | -171.1 | -158.5 | 43.3 | 0 | 0 | 0 | 113.9 | F31 D32 S33 N270 P271 | F31-N35 WeakPolarHBondContact O-CA 3.27Å; F31-N35 PolarHBondContact O-N 3.11Å; D32-N35 WeakPolarHBondContact O-CA 3.37Å; D32-N35 PolarHBondContact O-N 2.03Å; S33-N35 VanDerWaalsContact C-N 3.27Å; N35-N270 PolarHBondContact ND2-O 2.65Å; N35-P271 WeakPolarHBondContact O-CG 3.3Å |
| 36 | G | 67.9 | Low | 75.7 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F31 A34 C105 S106 | F31-G36 VanDerWaalsContact CZ-CA 3.5Å; F31-G36 PolarHBondContact O-N 2.79Å; A34-G36 PolarHBondContact O-N 2.86Å; G36-C105 CarbonylContact O-C 3.57Å; G36-C105 WeakPolarHBondContact O-CA 3.49Å; G36-S106 PolarHBondContact O-N 2.85Å; G36-S106 PolarHBondContact O-OG 3.03Å |
| 37 | G | 64.1 | Low | 76.2 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | trans | 111.3 | -151.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A34 P271 | A34-G37 PolarHBondContact O-N 3.24Å; G37-P271 WeakPolarHBondContact O-CB 3.46Å; G37-P271 WeakPolarHBondContact O-CG 3.4Å | ||
| 38 | P | 69.6 | Low | 76.8 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 31% | 0.312 | 30% | 0.301 | S | S | . | . | cis | -64.9 | 155.3 | -13.1 | 33 | -37.4 | 0 | 0 | 0 | 111.1 | S106 A108 | P38-S106 CarbonylContact C-O 2.86Å; P38-S106 WeakPolarHBondContact CA-O 3.03Å; P38-S106 WeakPolarHBondContact CA-OG 3.47Å; P38-A108 HydrophobicContact CB-CB 3.69Å; P38-A108 HydrophobicContact CG-CB 4.06Å | ||
| 39 | V | 75.7 | Confident | 77.1 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 147.1 | 168.1 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | Q44 L45 C105 S106 I107 F195 | V39-Q44 HydrophobicContact CB-CB 4.02Å; V39-Q44 HydrophobicContact CG1-CB 3.58Å; V39-L45 HydrophobicContact CB-CD2 4.46Å; V39-L45 HydrophobicContact CB-CG 4.39Å; V39-L45 HydrophobicContact CG1-CD2 3.61Å; V39-L45 HydrophobicContact CG1-CG 4Å; V39-L45 HydrophobicContact CG2-CD1 3.77Å; V39-L45 HydrophobicContact CG2-CD2 4.09Å; V39-L45 HydrophobicContact CG2-CG 3.79Å; V39-C105 HydrophobicContact CG1-CB 3.89Å; V39-S106 WeakPolarHBondContact CG2-O 3.38Å; V39-S106 PolarHBondContact N-O 3.01Å; V39-I107 HydrophobicContact CG2-CG1 3.99Å; V39-F195 HydrophobicContact CG2-CE1 4.12Å; V39-F195 HydrophobicContact CG2-CZ 3.66Å |
| 40 | T | 72.3 | Confident | 77.5 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 74% | 0.736 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -86.3 | -9.4 | 174.7 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | Q44 | T40-Q44 PolarHBondContact OG1-OE1 3.12Å; T40-Q44 VanDerWaalsContact OG1-OE1 3.14Å |
| 41 | G | 79.7 | Confident | 77.9 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 178.8 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D43 Q44 F195 | G41-D43 VanDerWaalsContact C-N 3.33Å; G41-D43 PolarHBondContact O-N 3.15Å; G41-Q44 PolarHBondContact O-N 3.06Å; G41-F195 VanDerWaalsContact C-CZ 3.42Å |
| 42 | P | 90.5 | Very high | 78.4 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -45.7 | -45.3 | -176.9 | -37.1 | 40.5 | 0 | 0 | 0 | 116.2 | Q44 L45 V193 F195 | P42-Q44 PolarHBondContact O-N 2.7Å; P42-Q44 VanDerWaalsContact O-N 3.13Å; P42-L45 PolarHBondContact O-N 2.79Å; P42-V193 WeakPolarHBondContact CB-O 2.98Å; P42-F195 HydrophobicContact CG-CD1 3.98Å; P42-F195 HydrophobicContact CG-CE1 4.15Å; P42-F195 HydrophobicContact CG-CG 4.44Å; P42-F195 VanDerWaalsContact CG-O 3.27Å; P42-F195 WeakPolarHBondContact CG-O 3.49Å |
| 43 | D | 90.2 | Very high | 79.5 | Confident | 112 Ų | 112 | 48.1 Ų | 48.1 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.4 | -169 | -65.7 | -28.2 | 0 | 0 | 0 | 113.8 | G41 L45 R46 | G41-D43 VanDerWaalsContact C-N 3.33Å; G41-D43 PolarHBondContact O-N 3.15Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-R46 IonicContact OD1-CZ 3.57Å; D43-R46 IonicContact OD1-NE 2.65Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.75Å; D43-R46 PolarHBondContact OD1-NH2 2.84Å |
| 44 | Q | 86.1 | Confident | 80.9 | Confident | 91 Ų | 91 | 44.5 Ų | 44.5 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -76.4 | -16.7 | 176.6 | -65.9 | -179.5 | -63.3 | 0 | 0 | 113.7 | V39 T40 G41 P42 C54 | V39-Q44 HydrophobicContact CB-CB 4.02Å; V39-Q44 HydrophobicContact CG1-CB 3.58Å; T40-Q44 PolarHBondContact OG1-OE1 3.12Å; T40-Q44 VanDerWaalsContact OG1-OE1 3.14Å; G41-Q44 PolarHBondContact O-N 3.06Å; P42-Q44 PolarHBondContact O-N 2.7Å; P42-Q44 VanDerWaalsContact O-N 3.13Å; Q44-C54 WeakPolarHBondContact O-CB 3.43Å |
| 45 | L | 92.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -5.8 | 178.9 | -63.7 | -173.8 | 0 | 0 | 0 | 113.6 | V39 P42 D43 C54 W55 C105 I107 I172 V193 F195 | V39-L45 HydrophobicContact CB-CD2 4.46Å; V39-L45 HydrophobicContact CB-CG 4.39Å; V39-L45 HydrophobicContact CG1-CD2 3.61Å; V39-L45 HydrophobicContact CG1-CG 4Å; V39-L45 HydrophobicContact CG2-CD1 3.77Å; V39-L45 HydrophobicContact CG2-CD2 4.09Å; V39-L45 HydrophobicContact CG2-CG 3.79Å; P42-L45 PolarHBondContact O-N 2.79Å; D43-L45 VanDerWaalsContact C-N 3.31Å; L45-C54 HydrophobicContact CD2-CB 4.34Å; L45-W55 PolarHBondContact O-NE1 3.01Å; L45-C105 HydrophobicContact CD2-CB 4Å; L45-C105 WeakPolarHBondContact CD2-O 3.45Å; L45-I107 HydrophobicContact CD1-CD1 3.92Å; L45-I107 HydrophobicContact CD1-CG1 3.85Å; L45-I172 HydrophobicContact CD1-CD1 4.37Å; L45-V193 HydrophobicContact CB-CB 3.92Å; L45-V193 HydrophobicContact CB-CG2 3.83Å; L45-V193 HydrophobicContact CD1-CB 4.21Å; L45-V193 HydrophobicContact CD1-CG1 4.04Å; L45-V193 HydrophobicContact CD1-CG2 4.31Å; L45-F195 HydrophobicContact CD1-CE1 4.03Å |
| 46 | R | 93.7 | Very high | 83.8 | Confident | 124 Ų | 124 | 40.1 Ų | 40.1 | 47% | 0.468 | 22% | 0.224 | S | C | . | . | trans | -60.1 | 138.6 | 171 | -64.5 | -178.5 | -168.3 | -97.5 | 0.6 | 110 | D43 I191 | D43-R46 IonicContact OD1-CZ 3.57Å; D43-R46 IonicContact OD1-NE 2.65Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.75Å; D43-R46 PolarHBondContact OD1-NH2 2.84Å; R46-I191 CarbonylContact C-O 3.58Å; R46-I191 WeakPolarHBondContact CA-O 2.97Å | ||
| 47 | C | 92.5 | Very high | 84.6 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -148.5 | 111.1 | 174.9 | -162.2 | 0 | 0 | 0 | 0 | 113.7 | F49 C53 D190 I191 | C47-F49 WeakPolarHBondContact SG-CD1 3.34Å; C47-F49 VanDerWaalsContact SG-CE1 3.51Å; C47-F49 PolarHBondContact SG-N 2.88Å; C47-F49 VanDerWaalsContact SG-N 3.45Å; C47-C53 WeakPolarHBondContact CA-SG 3.29Å; C47-C53 HydrophobicContact CB-CB 3.45Å; C47-C53 VanDerWaalsContact CB-CB 3.45Å; C47-C53 WeakPolarHBondContact CB-SG 3.37Å; C47-C53 WeakPolarHBondContact SG-CB 3.16Å; C47-C53 CovalentContact SG-SG 2.03Å; C47-C53 PolarHBondContact SG-SG 3.38Å; C47-D190 CarbonylContact O-C 3.6Å; C47-I191 HydrophobicContact CB-CB 4.2Å; C47-I191 HydrophobicContact CB-CD1 4.43Å; C47-I191 PolarHBondContact N-O 2.92Å; C47-I191 PolarHBondContact O-N 2.04Å |
| 48 | D | 90 | Very high | 85.3 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 35% | 0.353 | 22% | 0.224 | S | C | . | . | trans | -94.5 | 1 | 164.1 | 57.2 | 8.8 | 0 | 0 | 0 | 111.9 | E50 | D48-E50 HydrophobicContact CB-CG 3.92Å; D48-E50 PolarHBondContact O-N 3.04Å; D48-E50 WeakPolarHBondContact OD1-CB 3.4Å; D48-E50 PolarHBondContact OD1-N 3.04Å; D48-E50 VanDerWaalsContact OD1-N 3.16Å; D48-E50 WeakPolarHBondContact OD2-CG 3.45Å | ||
| 49 | F | 87.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 55.6 | -6.1 | -172.5 | -50.2 | -86.7 | 0 | 0 | 0 | 116.3 | R7 L9 Y26 C47 S51 F102 I188 I191 | R7-F49 VanDerWaalsContact CB-C 3.46Å; R7-F49 HydrophobicContact CB-CB 3.65Å; R7-F49 WeakPolarHBondContact CB-O 2.98Å; R7-F49 WeakPolarHBondContact CD-O 3.43Å; L9-F49 HydrophobicContact CB-CD1 4.14Å; L9-F49 HydrophobicContact CB-CE1 3.52Å; L9-F49 HydrophobicContact CB-CE2 4.08Å; L9-F49 HydrophobicContact CB-CZ 3.48Å; L9-F49 VanDerWaalsContact CB-CZ 3.48Å; L9-F49 HydrophobicContact CD1-CE1 4.07Å; L9-F49 HydrophobicContact CD2-CE1 4.25Å; L9-F49 HydrophobicContact CD2-CZ 4.32Å; L9-F49 HydrophobicContact CG-CE1 4.15Å; L9-F49 HydrophobicContact CG-CZ 4.38Å; Y26-F49 HydrophobicContact CD2-CD1 4.06Å; Y26-F49 AromaticContact CE2-CD1 3.72Å; Y26-F49 HydrophobicContact CE2-CD1 3.72Å; Y26-F49 HydrophobicContact CE2-CE1 4.49Å; C47-F49 WeakPolarHBondContact SG-CD1 3.34Å; C47-F49 VanDerWaalsContact SG-CE1 3.51Å; C47-F49 PolarHBondContact SG-N 2.88Å; C47-F49 VanDerWaalsContact SG-N 3.45Å; F49-S51 CarbonylContact C-O 3.57Å; F49-S51 PolarHBondContact O-N 3.03Å; F49-S51 VanDerWaalsContact O-N 3.13Å; F49-F102 AromaticContact CE1-CE1 3.75Å; F49-F102 HydrophobicContact CE1-CE1 3.75Å; F49-F102 AromaticContact CE1-CZ 3.76Å; F49-F102 HydrophobicContact CE1-CZ 3.76Å; F49-F102 HydrophobicContact CZ-CE1 4.13Å; F49-I188 VanDerWaalsContact CE2-O 3.26Å; F49-I188 WeakPolarHBondContact CE2-O 3.45Å; F49-I188 HydrophobicContact CZ-CG1 4.22Å; F49-I191 HydrophobicContact CE2-CD1 4.22Å; F49-I191 HydrophobicContact CE2-CG1 4.43Å; F49-I191 HydrophobicContact CZ-CD1 3.64Å; F49-I191 HydrophobicContact CZ-CG1 4.33Å |
| 50 | E | 83.2 | Confident | 85 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -48.2 | -39.8 | 174 | -65.2 | -66.2 | 170.3 | 0 | 0 | 111.3 | Q6 D48 | Q6-E50 WeakPolarHBondContact CA-OE1 3.43Å; Q6-E50 VanDerWaalsContact CA-OE2 3.32Å; Q6-E50 WeakPolarHBondContact CA-OE2 3.47Å; Q6-E50 WeakPolarHBondContact CB-OE1 3.29Å; Q6-E50 WeakPolarHBondContact CG-OE1 3.41Å; Q6-E50 PolarHBondContact NE2-OE1 2.86Å; D48-E50 HydrophobicContact CB-CG 3.92Å; D48-E50 PolarHBondContact O-N 3.04Å; D48-E50 WeakPolarHBondContact OD1-CB 3.4Å; D48-E50 PolarHBondContact OD1-N 3.04Å; D48-E50 VanDerWaalsContact OD1-N 3.16Å; D48-E50 WeakPolarHBondContact OD2-CG 3.45Å |
| 51 | S | 82.8 | Confident | 84.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -120.2 | 170.7 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | F49 C53 | F49-S51 CarbonylContact C-O 3.57Å; F49-S51 PolarHBondContact O-N 3.03Å; F49-S51 VanDerWaalsContact O-N 3.13Å; S51-C53 PolarHBondContact O-N 2.91Å; S51-C53 PolarHBondContact O-SG 2.61Å; S51-C53 VanDerWaalsContact O-SG 3.41Å |
| 52 | S | 84 | Confident | 83.9 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -71.2 | 118.4 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | S28 R29 V30 | S28-S52 WeakPolarHBondContact CA-OG 3.45Å; S28-S52 PolarHBondContact OG-OG 3.34Å; R29-S52 PolarHBondContact N-OG 3.37Å; V30-S52 WeakPolarHBondContact CB-O 3.41Å; V30-S52 WeakPolarHBondContact CG2-O 3.43Å; V30-S52 PolarHBondContact N-OG 2.97Å; V30-S52 VanDerWaalsContact N-OG 3.07Å | ||
| 53 | C | 90.3 | Very high | 82.9 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | trans | -101.3 | 162.9 | 178.7 | -36.2 | 0 | 0 | 0 | 0 | 111.3 | Y26 S28 C47 S51 W55 | Y26-C53 PolarHBondContact OH-N 2.86Å; Y26-C53 PolarHBondContact OH-O 2.04Å; S28-C53 WeakPolarHBondContact CB-O 3.26Å; S28-C53 PolarHBondContact OG-O 3.44Å; C47-C53 WeakPolarHBondContact CA-SG 3.29Å; C47-C53 HydrophobicContact CB-CB 3.45Å; C47-C53 VanDerWaalsContact CB-CB 3.45Å; C47-C53 WeakPolarHBondContact CB-SG 3.37Å; C47-C53 WeakPolarHBondContact SG-CB 3.16Å; C47-C53 CovalentContact SG-SG 2.03Å; C47-C53 PolarHBondContact SG-SG 3.38Å; S51-C53 PolarHBondContact O-N 2.91Å; S51-C53 PolarHBondContact O-SG 2.61Å; S51-C53 VanDerWaalsContact O-SG 3.41Å; C53-W55 PolarHBondContact O-N 3.41Å | ||
| 54 | C | 88.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.3 | 65.5 | 178 | -139.9 | 0 | 0 | 0 | 0 | 112.6 | V30 A34 Q44 L45 S104 C105 | V30-C54 HydrophobicContact CG1-CB 3.97Å; A34-C54 VanDerWaalsContact CB-SG 3.51Å; Q44-C54 WeakPolarHBondContact O-CB 3.43Å; L45-C54 HydrophobicContact CD2-CB 4.34Å; C54-S104 CarbonylContact O-C 3.49Å; C54-C105 VanDerWaalsContact C-SG 3.53Å; C54-C105 VanDerWaalsContact CA-SG 3.5Å; C54-C105 HydrophobicContact CB-CB 3.72Å; C54-C105 WeakPolarHBondContact CB-SG 3.04Å; C54-C105 PolarHBondContact O-N 3.05Å; C54-C105 PolarHBondContact O-SG 2.9Å; C54-C105 WeakPolarHBondContact SG-CB 3.13Å; C54-C105 CovalentContact SG-SG 2.03Å; C54-C105 PolarHBondContact SG-SG 2.91Å |
| 55 | W | 91.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.3 | 177.4 | -65.4 | 77.2 | 0 | 0 | 0 | 109.7 | Y26 S28 F31 L45 C53 F102 H103 S104 I172 I174 I191 V193 | Y26-W55 WeakPolarHBondContact CE1-O 3.5Å; S28-W55 WeakPolarHBondContact CB-O 3.42Å; F31-W55 WeakPolarHBondContact CB-O 3.42Å; L45-W55 PolarHBondContact O-NE1 3.01Å; C53-W55 PolarHBondContact O-N 3.41Å; W55-F102 HydrophobicContact CB-CD1 4.16Å; W55-F102 HydrophobicContact CB-CE1 3.3Å; W55-F102 HydrophobicContact CB-CE2 4.06Å; W55-F102 HydrophobicContact CB-CZ 3.25Å; W55-F102 HydrophobicContact CD2-CD1 4.05Å; W55-F102 AromaticContact CD2-CE1 3.72Å; W55-F102 HydrophobicContact CD2-CE1 3.72Å; W55-F102 AromaticContact CE3-CD1 3.41Å; W55-F102 HydrophobicContact CE3-CD1 3.41Å; W55-F102 VanDerWaalsContact CE3-CD1 3.41Å; W55-F102 AromaticContact CE3-CE1 3.59Å; W55-F102 HydrophobicContact CE3-CE1 3.59Å; W55-F102 HydrophobicContact CE3-CG 4.33Å; W55-F102 HydrophobicContact CG-CD1 4.39Å; W55-F102 AromaticContact CG-CE1 3.64Å; W55-F102 HydrophobicContact CG-CE1 3.64Å; W55-F102 HydrophobicContact CG-CZ 4.1Å; W55-F102 HydrophobicContact CZ3-CD1 4.16Å; W55-H103 CarbonylContact C-O 3.59Å; W55-H103 WeakPolarHBondContact CA-O 3.19Å; W55-H103 VanDerWaalsContact CE3-C 3.43Å; W55-S104 VanDerWaalsContact CE3-N 3.3Å; W55-I172 HydrophobicContact CH2-CB 4.07Å; W55-I172 HydrophobicContact CH2-CG2 3.84Å; W55-I172 HydrophobicContact CZ3-CG2 4.37Å; W55-I174 HydrophobicContact CH2-CD1 3.86Å; W55-I174 HydrophobicContact CH2-CG1 4.28Å; W55-I174 HydrophobicContact CZ3-CD1 3.72Å; W55-I174 HydrophobicContact CZ3-CG1 3.95Å; W55-I191 HydrophobicContact CH2-CG2 4.11Å; W55-I191 HydrophobicContact CZ2-CD1 4.4Å; W55-I191 HydrophobicContact CZ2-CG2 3.56Å; W55-V193 HydrophobicContact CZ2-CG2 4.05Å |
| 56 | Q | 87.9 | Confident | 80.6 | Confident | 23 Ų | 23 | 50 Ų | 50 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 165.5 | 176.6 | -159.1 | 167.4 | 51.6 | 0 | 0 | 112.2 | F31 D32 F102 H103 | F31-Q56 HydrophobicContact CB-CB 4.33Å; F31-Q56 HydrophobicContact CD1-CB 3.82Å; F31-Q56 HydrophobicContact CD1-CG 4.32Å; F31-Q56 VanDerWaalsContact CD1-OE1 3.25Å; F31-Q56 HydrophobicContact CD2-CB 3.95Å; F31-Q56 HydrophobicContact CE1-CB 4.05Å; F31-Q56 HydrophobicContact CE2-CB 4.15Å; F31-Q56 HydrophobicContact CG-CB 3.78Å; F31-Q56 HydrophobicContact CZ-CB 4.21Å; D32-Q56 PolarHBondContact OD1-NE2 3.31Å; Q56-F102 VanDerWaalsContact C-CD2 3.45Å; Q56-F102 WeakPolarHBondContact O-CD2 3.29Å; Q56-F102 WeakPolarHBondContact O-CE2 3.44Å; Q56-H103 PolarHBondContact N-O 2.82Å; Q56-H103 PolarHBondContact O-CD2 3.33Å; Q56-H103 PolarHBondContact O-N 2.73Å |
| 57 | N | 84 | Confident | 80 | Confident | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.8 | 160.7 | -83.5 | -79.4 | 0 | 0 | 0 | 110.5 | Y26 E66 W67 | Y26-N57 PolarHBondContact O-ND2 2.04Å; N57-E66 WeakPolarHBondContact OD1-CA 3.43Å; N57-W67 PolarHBondContact ND2-O 3.09Å; N57-W67 WeakPolarHBondContact OD1-CA 3.09Å; N57-W67 VanDerWaalsContact OD1-CB 3.29Å; N57-W67 WeakPolarHBondContact OD1-CB 3.04Å; N57-W67 PolarHBondContact OD1-N 2.78Å |
| 58 | N | 78.3 | Confident | 79.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 162.4 | 166.8 | -166.4 | 11.3 | 0 | 0 | 0 | 110 | L62 D63 Q101 R133 | N58-L62 VanDerWaalsContact ND2-CB 3.28Å; N58-L62 WeakPolarHBondContact ND2-CB 3.4Å; N58-L62 VanDerWaalsContact ND2-CD1 3.29Å; N58-L62 WeakPolarHBondContact ND2-CD1 3.4Å; N58-D63 HydrophobicContact CB-CB 4.13Å; N58-D63 VanDerWaalsContact O-CB 3.26Å; N58-D63 WeakPolarHBondContact O-CB 3.04Å; N58-Q101 HydrophobicContact CB-CB 3.86Å; N58-Q101 WeakPolarHBondContact CB-O 3.27Å; N58-Q101 PolarHBondContact N-O 2.84Å; N58-Q101 PolarHBondContact ND2-OE1 2.85Å; N58-R133 PolarHBondContact ND2-NH1 2.83Å |
| 59 | K | 73.5 | Confident | 78.9 | Confident | 143 Ų | 143 | 42.5 Ų | 42.5 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -99.1 | 150.3 | -175.1 | -68.8 | 172.7 | -175.4 | 165.9 | 0 | 111.4 | L62 D63 | K59-L62 PolarHBondContact O-N 3.01Å; K59-D63 PolarHBondContact O-N 2.77Å |
| 60 | P | 65.5 | Low | 78.1 | Confident | 101 Ų | 101 | 42.7 Ų | 42.7 | 66% | 0.656 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 143 | 168.1 | -25.7 | 34.5 | 0 | 0 | 0 | 111.7 | D63 | P60-D63 VanDerWaalsContact CA-O 3.27Å; P60-D63 WeakPolarHBondContact CA-O 3.39Å |
| 61 | P | 64.5 | Low | 77.4 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | -1.2 | 12.2 | 36.6 | -36.3 | 0 | 0 | 0 | 115.4 | E141 | P61-E141 HydrophobicContact CG-CG 4.12Å; P61-E141 WeakPolarHBondContact CG-OE1 3.46Å |
| 62 | L | 64.5 | Low | 76.6 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -39.6 | 180 | -71.1 | 175.1 | 0 | 0 | 0 | 112.6 | N58 K59 P140 E141 | N58-L62 VanDerWaalsContact ND2-CB 3.28Å; N58-L62 WeakPolarHBondContact ND2-CB 3.4Å; N58-L62 VanDerWaalsContact ND2-CD1 3.29Å; N58-L62 WeakPolarHBondContact ND2-CD1 3.4Å; K59-L62 PolarHBondContact O-N 3.01Å; L62-P140 HydrophobicContact CD1-CB 3.49Å; L62-P140 VanDerWaalsContact CD1-CB 3.49Å; L62-P140 HydrophobicContact CD1-CG 3.59Å; L62-E141 HydrophobicContact CD2-CG 4.26Å; L62-E141 HydrophobicContact CG-CG 4.39Å |
| 63 | D | 70.3 | Confident | 75.8 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | trans | -100.4 | 140.9 | 169.9 | -151.8 | -35.4 | 0 | 0 | 0 | 110 | N58 K59 P60 L65 A100 Q101 | N58-D63 HydrophobicContact CB-CB 4.13Å; N58-D63 VanDerWaalsContact O-CB 3.26Å; N58-D63 WeakPolarHBondContact O-CB 3.04Å; K59-D63 PolarHBondContact O-N 2.77Å; P60-D63 VanDerWaalsContact CA-O 3.27Å; P60-D63 WeakPolarHBondContact CA-O 3.39Å; D63-L65 VanDerWaalsContact OD1-C 3.31Å; D63-L65 PolarHBondContact OD1-N 3.11Å; D63-L65 VanDerWaalsContact OD1-O 3.08Å; D63-A100 WeakPolarHBondContact OD1-CA 3.41Å; D63-Q101 PolarHBondContact OD2-N 3.29Å | ||
| 64 | K | 69.1 | Low | 74.7 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -125.9 | -13.2 | 174.8 | -62.9 | -176 | -174.1 | -176.7 | 0 | 112.7 | D98 E99 | K64-D98 HydrophobicContact CB-CB 3.79Å; K64-D98 HydrophobicContact CD-CB 3.82Å; K64-D98 WeakPolarHBondContact CD-OD1 3.3Å; K64-D98 VanDerWaalsContact CD-OD2 3.27Å; K64-D98 WeakPolarHBondContact CD-OD2 3.43Å; K64-D98 WeakPolarHBondContact CE-OD1 3.49Å; K64-D98 IonicContact NZ-OD1 2.73Å; K64-D98 PolarHBondContact NZ-OD1 3.07Å; K64-D98 IonicContact NZ-OD2 3.38Å; K64-E99 PolarHBondContact N-O 2.95Å |
| 65 | L | 73.9 | Confident | 73.8 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -135.3 | 100.7 | -176.3 | -76.3 | -176.7 | 0 | 0 | 0 | 109.2 | I11 D63 W67 D98 E99 A100 F179 | I11-L65 HydrophobicContact CG2-CB 3.87Å; I11-L65 HydrophobicContact CG2-CD1 3.94Å; I11-L65 HydrophobicContact CG2-CD2 4.39Å; I11-L65 HydrophobicContact CG2-CG 4.3Å; D63-L65 VanDerWaalsContact OD1-C 3.31Å; D63-L65 PolarHBondContact OD1-N 3.11Å; D63-L65 VanDerWaalsContact OD1-O 3.08Å; L65-W67 PolarHBondContact O-N 2.8Å; L65-D98 HydrophobicContact CD1-CB 3.94Å; L65-D98 WeakPolarHBondContact CD1-O 3.35Å; L65-D98 HydrophobicContact CG-CB 3.84Å; L65-E99 PolarHBondContact N-O 3.47Å; L65-A100 HydrophobicContact CB-CB 3.91Å; L65-A100 WeakPolarHBondContact O-CB 3.31Å; L65-F179 HydrophobicContact CD1-CD2 4.39Å; L65-F179 HydrophobicContact CD1-CE2 4.32Å |
| 66 | E | 77.5 | Confident | 72.9 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | trans | -62.5 | 132.2 | -179.8 | -66.5 | -178.2 | 166.6 | 0 | 0 | 111.9 | P25 N57 N68 | P25-E66 WeakPolarHBondContact CB-OE2 3.2Å; P25-E66 WeakPolarHBondContact CG-OE2 3.15Å; N57-E66 WeakPolarHBondContact OD1-CA 3.43Å; E66-N68 PolarHBondContact O-N 2.87Å; E66-N68 PolarHBondContact O-ND2 2.9Å | ||
| 67 | W | 81.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -70.7 | 114.2 | 164.6 | -77.1 | 101.3 | 0 | 0 | 0 | 110.5 | L9 I11 Y26 N57 L65 A100 F102 L128 I174 A176 A186 I188 | L9-W67 HydrophobicContact CB-CE3 4.28Å; L9-W67 HydrophobicContact CD1-CB 3.76Å; L9-W67 HydrophobicContact CD2-CB 3.63Å; L9-W67 HydrophobicContact CD2-CD2 3.5Å; L9-W67 HydrophobicContact CD2-CE3 3.48Å; L9-W67 VanDerWaalsContact CD2-CE3 3.48Å; L9-W67 HydrophobicContact CD2-CG 3.66Å; L9-W67 HydrophobicContact CD2-CZ3 4.16Å; L9-W67 HydrophobicContact CG-CB 3.59Å; L9-W67 HydrophobicContact CG-CD2 3.99Å; L9-W67 HydrophobicContact CG-CE3 3.64Å; L9-W67 HydrophobicContact CG-CG 4.08Å; L9-W67 HydrophobicContact CG-CZ3 4.46Å; L9-W67 WeakPolarHBondContact O-CZ3 3.49Å; I11-W67 HydrophobicContact CD1-CD2 3.57Å; I11-W67 HydrophobicContact CD1-CE3 3.66Å; I11-W67 HydrophobicContact CD1-CG 4.1Å; I11-W67 HydrophobicContact CD1-CH2 4.33Å; I11-W67 HydrophobicContact CD1-CZ2 4.2Å; I11-W67 HydrophobicContact CD1-CZ3 4.06Å; I11-W67 HydrophobicContact CG1-CD2 4.11Å; I11-W67 HydrophobicContact CG1-CE3 4.15Å; I11-W67 HydrophobicContact CG1-CG 4.25Å; Y26-W67 PolarHBondContact N-O 2.96Å; N57-W67 PolarHBondContact ND2-O 3.09Å; N57-W67 WeakPolarHBondContact OD1-CA 3.09Å; N57-W67 VanDerWaalsContact OD1-CB 3.29Å; N57-W67 WeakPolarHBondContact OD1-CB 3.04Å; N57-W67 PolarHBondContact OD1-N 2.78Å; L65-W67 PolarHBondContact O-N 2.8Å; W67-A100 PolarHBondContact NE1-O 2.91Å; W67-F102 HydrophobicContact CB-CD2 4.31Å; W67-F102 HydrophobicContact CD2-CB 4.31Å; W67-F102 HydrophobicContact CG-CB 4.07Å; W67-F102 HydrophobicContact CG-CD2 4.49Å; W67-L128 HydrophobicContact CH2-CD2 3.78Å; W67-L128 HydrophobicContact CZ2-CD2 4.1Å; W67-I174 HydrophobicContact CZ2-CG2 4.26Å; W67-A176 HydrophobicContact CH2-CB 3.98Å; W67-A176 HydrophobicContact CZ2-CB 3.65Å; W67-A186 HydrophobicContact CH2-CB 4.35Å; W67-I188 HydrophobicContact CH2-CD1 3.98Å; W67-I188 HydrophobicContact CH2-CG1 4.13Å; W67-I188 HydrophobicContact CH2-CG2 3.94Å; W67-I188 HydrophobicContact CZ2-CD1 4.44Å; W67-I188 HydrophobicContact CZ3-CD1 4.15Å; W67-I188 HydrophobicContact CZ3-CG1 3.93Å; W67-I188 HydrophobicContact CZ3-CG2 4.32Å | ||
| 68 | N | 79.6 | Confident | 71.5 | Confident | 29 Ų | 29 | 58 Ų | 58 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 146.5 | -177.9 | -65 | -101 | 0 | 0 | 0 | 111.5 | L9 I10 A23 S24 P25 E66 | L9-N68 CarbonylContact C-O 3.57Å; L9-N68 VanDerWaalsContact CA-O 3.31Å; L9-N68 WeakPolarHBondContact CA-O 3.46Å; I10-N68 WeakPolarHBondContact CG1-O 3.42Å; I10-N68 PolarHBondContact N-O 2.81Å; I10-N68 WeakPolarHBondContact O-CA 3.31Å; I10-N68 WeakPolarHBondContact O-CB 3.27Å; I10-N68 PolarHBondContact O-N 3.31Å; A23-N68 HydrophobicContact CB-CB 4.22Å; S24-N68 CarbonylContact O-C 3.56Å; S24-N68 VanDerWaalsContact O-CA 3.26Å; S24-N68 WeakPolarHBondContact O-CA 3.29Å; S24-N68 WeakPolarHBondContact O-CB 3.45Å; P25-N68 WeakPolarHBondContact CD-OD1 3.48Å; P25-N68 VanDerWaalsContact N-OD1 3.09Å; E66-N68 PolarHBondContact O-N 2.87Å; E66-N68 PolarHBondContact O-ND2 2.9Å |
| 69 | V | 78.3 | Confident | 71.1 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 144.7 | 159.4 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | R7 V8 A23 S24 Y26 | R7-V69 HydrophobicContact CB-CG2 3.53Å; R7-V69 HydrophobicContact CG-CG2 3.58Å; V8-V69 WeakPolarHBondContact O-CA 3.42Å; A23-V69 WeakPolarHBondContact CA-O 3.3Å; S24-V69 PolarHBondContact N-O 3.24Å; S24-V69 PolarHBondContact O-N 2.97Å; S24-V69 VanDerWaalsContact O-O 3.04Å; Y26-V69 HydrophobicContact CD2-CB 4.1Å |
| 70 | M | 70.6 | Confident | 71.2 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 159.8 | 167.6 | -48.2 | -161.1 | -43.7 | 0 | 0 | 114.4 | I10 F18 A21 R22 A23 V74 N91 A92 A93 | I10-M70 HydrophobicContact CD1-CB 4.41Å; I10-M70 HydrophobicContact CD1-CE 4.35Å; I10-M70 HydrophobicContact CD1-CG 3.65Å; I10-M70 HydrophobicContact CD1-SD 4.25Å; I10-M70 HydrophobicContact CG1-CG 4.13Å; F18-M70 HydrophobicContact CB-CE 4.42Å; F18-M70 HydrophobicContact CD1-CE 4.15Å; F18-M70 HydrophobicContact CG-CE 4.19Å; A21-M70 HydrophobicContact CB-CE 3.78Å; A21-M70 HydrophobicContact CB-SD 4.36Å; R22-M70 CarbonylContact O-C 3.42Å; R22-M70 WeakPolarHBondContact O-CA 2.99Å; R22-M70 VanDerWaalsContact O-CB 3.27Å; R22-M70 WeakPolarHBondContact O-CB 3.33Å; A23-M70 HydrophobicContact CB-CG 3.93Å; A23-M70 HydrophobicContact CB-SD 4.34Å; M70-V74 HydrophobicContact CE-CG2 4.14Å; M70-N91 HydrophobicContact CB-CB 3.85Å; M70-N91 HydrophobicContact CE-CB 3.95Å; M70-N91 HydrophobicContact CG-CB 4.47Å; M70-N91 PolarHBondContact O-ND2 2.98Å; M70-N91 VanDerWaalsContact O-ND2 3.13Å; M70-A92 WeakPolarHBondContact CE-O 3.17Å; M70-A93 HydrophobicContact SD-CB 4.06Å |
| 71 | E | 68.3 | Low | 71.6 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 118.2 | 171.3 | -56.3 | -169.9 | 155.8 | 0 | 0 | 109.5 | R7 R22 | R7-E71 IonicContact CZ-OE1 2.78Å; R7-E71 IonicContact NE-OE1 2.73Å; R7-E71 PolarHBondContact NE-OE1 2.74Å; R7-E71 IonicContact NH2-OE1 3.38Å; R7-E71 PolarHBondContact NH2-OE1 2.98Å; R22-E71 PolarHBondContact N-O 2.62Å; R22-E71 PolarHBondContact O-N 2.94Å |
| 72 | G | 67.3 | Low | 71.7 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 53% | 0.526 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 156.5 | -166.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 73 | S | 67.2 | Low | 72.1 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | trans | -104 | 116.8 | 170.8 | 58.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | V | 65.8 | Low | 72.1 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | trans | -67.3 | 138 | 170.2 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | F18 M70 P76 F79 T88 | F18-V74 HydrophobicContact CD1-CB 4.14Å; F18-V74 HydrophobicContact CD1-CG1 3.68Å; F18-V74 HydrophobicContact CD1-CG2 3.8Å; F18-V74 HydrophobicContact CE1-CB 4.44Å; F18-V74 HydrophobicContact CE1-CG1 3.62Å; F18-V74 HydrophobicContact CE1-CG2 4.13Å; M70-V74 HydrophobicContact CE-CG2 4.14Å; V74-P76 VanDerWaalsContact O-CD 3.27Å; V74-P76 WeakPolarHBondContact O-CD 3.36Å; V74-F79 HydrophobicContact CG1-CB 3.68Å; V74-F79 HydrophobicContact CG1-CD2 4.31Å; V74-F79 HydrophobicContact CG1-CG 4.16Å; V74-T88 HydrophobicContact CB-CG2 4.33Å; V74-T88 HydrophobicContact CG1-CG2 3.76Å | ||
| 75 | D | 70.1 | Confident | 72 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | trans | -74.5 | 114.7 | 166.8 | 169.7 | 17.5 | 0 | 0 | 0 | 109.6 | Q77 A78 F79 | D75-Q77 PolarHBondContact O-N 2.91Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.42Å; D75-Q77 PolarHBondContact OD1-N 3.35Å; D75-A78 HydrophobicContact CB-CB 3.95Å; D75-A78 PolarHBondContact O-N 3.39Å; D75-A78 VanDerWaalsContact OD2-CB 3.26Å; D75-A78 WeakPolarHBondContact OD2-CB 3.27Å; D75-A78 PolarHBondContact OD2-N 2.92Å; D75-F79 WeakPolarHBondContact O-CB 3.3Å; D75-F79 PolarHBondContact O-N 2.85Å | ||
| 76 | P | 72 | Confident | 71.4 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -25.3 | -178.7 | -21 | 34.4 | 0 | 0 | 0 | 113.6 | V74 N80 T88 | V74-P76 VanDerWaalsContact O-CD 3.27Å; V74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-N80 WeakPolarHBondContact O-CB 3.37Å; P76-N80 PolarHBondContact O-N 2.84Å; P76-T88 HydrophobicContact CB-CG2 4.26Å; P76-T88 HydrophobicContact CG-CG2 4.47Å |
| 77 | Q | 74.1 | Confident | 70.8 | Confident | 144 Ų | 144 | 52.3 Ų | 52.3 | 67% | 0.673 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76 | -41.8 | 178 | -61.4 | -170.3 | 10.5 | 0 | 0 | 111.7 | D75 R81 | D75-Q77 PolarHBondContact O-N 2.91Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.42Å; D75-Q77 PolarHBondContact OD1-N 3.35Å; Q77-R81 WeakPolarHBondContact O-CG 3.39Å; Q77-R81 PolarHBondContact O-N 2.88Å; Q77-R81 VanDerWaalsContact O-N 3.12Å; Q77-R81 PolarHBondContact O-NE 2.96Å |
| 78 | A | 68.3 | Low | 69.4 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I17 D75 N80 R81 A82 | I17-A78 HydrophobicContact CG2-CB 4.36Å; I17-A78 WeakPolarHBondContact O-CB 3.43Å; D75-A78 HydrophobicContact CB-CB 3.95Å; D75-A78 PolarHBondContact O-N 3.39Å; D75-A78 VanDerWaalsContact OD2-CB 3.26Å; D75-A78 WeakPolarHBondContact OD2-CB 3.27Å; D75-A78 PolarHBondContact OD2-N 2.92Å; A78-N80 PolarHBondContact O-N 2.97Å; A78-R81 WeakPolarHBondContact O-CB 3.36Å; A78-R81 PolarHBondContact O-N 3.39Å; A78-A82 PolarHBondContact O-N 3.33Å; A78-A82 VanDerWaalsContact O-N 3.16Å |
| 79 | F | 71.3 | Confident | 68.1 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 173.4 | -177.1 | -99.5 | 0 | 0 | 0 | 112.9 | F18 V74 D75 R81 A82 F83 T85 S87 T88 P89 A92 W121 | F18-F79 AromaticContact CE1-CD2 3.93Å; F18-F79 HydrophobicContact CE1-CD2 3.93Å; F18-F79 HydrophobicContact CZ-CD2 4.15Å; V74-F79 HydrophobicContact CG1-CB 3.68Å; V74-F79 HydrophobicContact CG1-CD2 4.31Å; V74-F79 HydrophobicContact CG1-CG 4.16Å; D75-F79 WeakPolarHBondContact O-CB 3.3Å; D75-F79 PolarHBondContact O-N 2.85Å; F79-R81 VanDerWaalsContact C-N 3.27Å; F79-R81 PolarHBondContact O-N 3.47Å; F79-A82 PolarHBondContact O-N 3.19Å; F79-F83 AromaticContact CD2-CD2 3.43Å; F79-F83 HydrophobicContact CD2-CD2 3.43Å; F79-F83 VanDerWaalsContact CD2-CD2 3.43Å; F79-F83 AromaticContact CD2-CE2 3.74Å; F79-F83 HydrophobicContact CD2-CE2 3.74Å; F79-F83 HydrophobicContact CD2-CG 4.36Å; F79-F83 HydrophobicContact CE1-CB 4.13Å; F79-F83 HydrophobicContact CE1-CD2 4.41Å; F79-F83 HydrophobicContact CE2-CB 4.12Å; F79-F83 HydrophobicContact CE2-CD1 4.43Å; F79-F83 AromaticContact CE2-CD2 3.01Å; F79-F83 HydrophobicContact CE2-CD2 3.01Å; F79-F83 AromaticContact CE2-CE2 3.33Å; F79-F83 HydrophobicContact CE2-CE2 3.33Å; F79-F83 AromaticContact CE2-CG 3.62Å; F79-F83 HydrophobicContact CE2-CG 3.62Å; F79-F83 HydrophobicContact CE2-CZ 4.13Å; F79-F83 HydrophobicContact CG-CD2 4.27Å; F79-F83 HydrophobicContact CZ-CB 3.73Å; F79-F83 HydrophobicContact CZ-CD1 4.47Å; F79-F83 AromaticContact CZ-CD2 3.56Å; F79-F83 HydrophobicContact CZ-CD2 3.56Å; F79-F83 HydrophobicContact CZ-CE2 4.23Å; F79-F83 AromaticContact CZ-CG 3.68Å; F79-F83 HydrophobicContact CZ-CG 3.68Å; F79-F83 PolarHBondContact O-N 2.85Å; F79-T85 WeakPolarHBondContact CD1-O 3.35Å; F79-T85 HydrophobicContact CE1-CG2 4Å; F79-T85 VanDerWaalsContact CE1-O 3.28Å; F79-T85 WeakPolarHBondContact CE1-O 3.42Å; F79-S87 WeakPolarHBondContact CE1-O 3.43Å; F79-T88 HydrophobicContact CB-CG2 4.03Å; F79-T88 HydrophobicContact CD1-CG2 3.72Å; F79-T88 HydrophobicContact CE1-CG2 4.5Å; F79-T88 HydrophobicContact CG-CG2 3.89Å; F79-P89 HydrophobicContact CE2-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 3.97Å; F79-A92 HydrophobicContact CD2-CB 3.42Å; F79-A92 VanDerWaalsContact CD2-CB 3.42Å; F79-A92 HydrophobicContact CE2-CB 3.28Å; F79-A92 HydrophobicContact CZ-CB 4.47Å; F79-W121 AromaticContact CZ-CD1 3.49Å; F79-W121 VanDerWaalsContact CZ-CD1 3.49Å; F79-W121 HydrophobicContact CZ-CG 4.1Å; F79-W121 AromaticContact CZ-NE1 3.78Å |
| 80 | N | 76.1 | Confident | 66.4 | Low | 71 Ų | 71 | 54.9 Ų | 54.9 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 177 | -173.5 | 38.1 | 0 | 0 | 0 | 112.9 | P76 A78 A82 G84 T85 S86 | P76-N80 WeakPolarHBondContact O-CB 3.37Å; P76-N80 PolarHBondContact O-N 2.84Å; A78-N80 PolarHBondContact O-N 2.97Å; N80-A82 VanDerWaalsContact C-N 3.34Å; N80-G84 VanDerWaalsContact O-CA 3.26Å; N80-G84 WeakPolarHBondContact O-CA 3.46Å; N80-G84 PolarHBondContact O-N 2.9Å; N80-G84 VanDerWaalsContact OD1-C 3.25Å; N80-T85 VanDerWaalsContact CA-O 3.26Å; N80-T85 WeakPolarHBondContact CA-O 3.41Å; N80-T85 VanDerWaalsContact OD1-CA 3.25Å; N80-T85 WeakPolarHBondContact OD1-CA 3.35Å; N80-T85 PolarHBondContact OD1-N 3.27Å; N80-T85 VanDerWaalsContact OD1-N 3.08Å; N80-S86 PolarHBondContact OD1-N 2.9Å |
| 81 | R | 73 | Confident | 65 | Low | 183 Ų | 183 | 54.7 Ų | 54.7 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | 173.1 | -78 | 179.7 | -70.2 | 161 | 0.8 | 113 | Q77 A78 F79 | Q77-R81 WeakPolarHBondContact O-CG 3.39Å; Q77-R81 PolarHBondContact O-N 2.88Å; Q77-R81 VanDerWaalsContact O-N 3.12Å; Q77-R81 PolarHBondContact O-NE 2.96Å; A78-R81 WeakPolarHBondContact O-CB 3.36Å; A78-R81 PolarHBondContact O-N 3.39Å; F79-R81 VanDerWaalsContact C-N 3.27Å; F79-R81 PolarHBondContact O-N 3.47Å |
| 82 | A | 67.2 | Low | 63.4 | Low | 16 Ų | 16 | 50.1 Ų | 50.1 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83.3 | -47.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | I17 A78 F79 N80 T123 | I17-A82 HydrophobicContact CD1-CB 4.01Å; I17-A82 HydrophobicContact CG2-CB 3.8Å; A78-A82 PolarHBondContact O-N 3.33Å; A78-A82 VanDerWaalsContact O-N 3.16Å; F79-A82 PolarHBondContact O-N 3.19Å; N80-A82 VanDerWaalsContact C-N 3.34Å; A82-T123 WeakPolarHBondContact O-CG2 3.3Å |
| 83 | F | 72.4 | Confident | 62.3 | Low | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -104.7 | -4 | -170.8 | -65.9 | -89.7 | 0 | 0 | 0 | 114.6 | F18 F79 T85 A92 T94 W121 T123 A185 | F18-F83 HydrophobicContact CZ-CE2 4.25Å; F79-F83 AromaticContact CD2-CD2 3.43Å; F79-F83 HydrophobicContact CD2-CD2 3.43Å; F79-F83 VanDerWaalsContact CD2-CD2 3.43Å; F79-F83 AromaticContact CD2-CE2 3.74Å; F79-F83 HydrophobicContact CD2-CE2 3.74Å; F79-F83 HydrophobicContact CD2-CG 4.36Å; F79-F83 HydrophobicContact CE1-CB 4.13Å; F79-F83 HydrophobicContact CE1-CD2 4.41Å; F79-F83 HydrophobicContact CE2-CB 4.12Å; F79-F83 HydrophobicContact CE2-CD1 4.43Å; F79-F83 AromaticContact CE2-CD2 3.01Å; F79-F83 HydrophobicContact CE2-CD2 3.01Å; F79-F83 AromaticContact CE2-CE2 3.33Å; F79-F83 HydrophobicContact CE2-CE2 3.33Å; F79-F83 AromaticContact CE2-CG 3.62Å; F79-F83 HydrophobicContact CE2-CG 3.62Å; F79-F83 HydrophobicContact CE2-CZ 4.13Å; F79-F83 HydrophobicContact CG-CD2 4.27Å; F79-F83 HydrophobicContact CZ-CB 3.73Å; F79-F83 HydrophobicContact CZ-CD1 4.47Å; F79-F83 AromaticContact CZ-CD2 3.56Å; F79-F83 HydrophobicContact CZ-CD2 3.56Å; F79-F83 HydrophobicContact CZ-CE2 4.23Å; F79-F83 AromaticContact CZ-CG 3.68Å; F79-F83 HydrophobicContact CZ-CG 3.68Å; F79-F83 PolarHBondContact O-N 2.85Å; F83-T85 HydrophobicContact CB-CG2 4.5Å; F83-T85 PolarHBondContact O-N 3.32Å; F83-A92 HydrophobicContact CE2-CB 4.25Å; F83-T94 HydrophobicContact CE2-CG2 4.01Å; F83-T94 HydrophobicContact CZ-CG2 4.05Å; F83-W121 HydrophobicContact CD1-CB 3.52Å; F83-W121 HydrophobicContact CE1-CB 3.76Å; F83-W121 HydrophobicContact CG-CB 4.28Å; F83-T123 HydrophobicContact CD1-CG2 4.5Å; F83-T123 HydrophobicContact CE1-CG2 4.49Å; F83-A185 HydrophobicContact CE1-CB 3.55Å; F83-A185 HydrophobicContact CE2-CB 4.31Å; F83-A185 HydrophobicContact CZ-CB 3.41Å; F83-A185 VanDerWaalsContact CZ-CB 3.41Å |
| 84 | G | 71.1 | Confident | 61.4 | Low | 65 Ų | 65 | 43.2 Ų | 43.2 | 67% | 0.67 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 72 | 10.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N80 | N80-G84 VanDerWaalsContact O-CA 3.26Å; N80-G84 WeakPolarHBondContact O-CA 3.46Å; N80-G84 PolarHBondContact O-N 2.9Å; N80-G84 VanDerWaalsContact OD1-C 3.25Å |
| 85 | T | 66.2 | Low | 60.2 | Low | 29 Ų | 29 | 44.3 Ų | 44.3 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | trans | -137.3 | 143.7 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 112 | F79 N80 F83 S87 | F79-T85 WeakPolarHBondContact CD1-O 3.35Å; F79-T85 HydrophobicContact CE1-CG2 4Å; F79-T85 VanDerWaalsContact CE1-O 3.28Å; F79-T85 WeakPolarHBondContact CE1-O 3.42Å; N80-T85 VanDerWaalsContact CA-O 3.26Å; N80-T85 WeakPolarHBondContact CA-O 3.41Å; N80-T85 VanDerWaalsContact OD1-CA 3.25Å; N80-T85 WeakPolarHBondContact OD1-CA 3.35Å; N80-T85 PolarHBondContact OD1-N 3.27Å; N80-T85 VanDerWaalsContact OD1-N 3.08Å; F83-T85 HydrophobicContact CB-CG2 4.5Å; F83-T85 PolarHBondContact O-N 3.32Å; T85-S87 VanDerWaalsContact C-N 3.32Å; T85-S87 WeakPolarHBondContact CG2-OG 3.44Å; T85-S87 PolarHBondContact OG1-N 2.9Å; T85-S87 VanDerWaalsContact OG1-N 3.16Å; T85-S87 PolarHBondContact OG1-OG 2.73Å | ||
| 86 | S | 60.8 | Low | 58.8 | Low | 84 Ų | 84 | 44 Ų | 44 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -82.8 | -6.7 | 172.4 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | N80 T88 | N80-S86 PolarHBondContact OD1-N 2.9Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 2.86Å |
| 87 | S | 64.8 | Low | 57.5 | Low | 48 Ų | 48 | 44.8 Ų | 44.8 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | trans | -73.4 | 84.4 | 171.8 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | F79 T85 W121 P157 | F79-S87 WeakPolarHBondContact CE1-O 3.43Å; T85-S87 VanDerWaalsContact C-N 3.32Å; T85-S87 WeakPolarHBondContact CG2-OG 3.44Å; T85-S87 PolarHBondContact OG1-N 2.9Å; T85-S87 VanDerWaalsContact OG1-N 3.16Å; T85-S87 PolarHBondContact OG1-OG 2.73Å; S87-W121 PolarHBondContact O-NE1 3.29Å; S87-P157 WeakPolarHBondContact OG-CG 3.35Å | ||
| 88 | T | 52.3 | Low | 57.2 | Low | 59 Ų | 59 | 41.4 Ų | 41.4 | 36% | 0.362 | 25% | 0.252 | S | S | . | . | trans | -57.8 | 128.7 | 174.1 | 51.7 | 0 | 0 | 0 | 0 | 108.9 | V74 P76 F79 S86 | V74-T88 HydrophobicContact CB-CG2 4.33Å; V74-T88 HydrophobicContact CG1-CG2 3.76Å; P76-T88 HydrophobicContact CB-CG2 4.26Å; P76-T88 HydrophobicContact CG-CG2 4.47Å; F79-T88 HydrophobicContact CB-CG2 4.03Å; F79-T88 HydrophobicContact CD1-CG2 3.72Å; F79-T88 HydrophobicContact CE1-CG2 4.5Å; F79-T88 HydrophobicContact CG-CG2 3.89Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 2.86Å | ||
| 89 | P | 52 | Low | 57.7 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | trans | -56.1 | 165.5 | 154.8 | 29 | -34.7 | 0 | 0 | 0 | 108.1 | V8 F79 N91 A92 W121 | V8-P89 HydrophobicContact CG1-CB 4.21Å; V8-P89 HydrophobicContact CG2-CB 4.27Å; F79-P89 HydrophobicContact CE2-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 3.97Å; P89-N91 WeakPolarHBondContact CB-O 3.34Å; P89-N91 WeakPolarHBondContact CG-O 3.24Å; P89-N91 PolarHBondContact O-N 3.06Å; P89-A92 HydrophobicContact CG-CB 3.56Å; P89-W121 HydrophobicContact CB-CD2 3.97Å; P89-W121 HydrophobicContact CB-CE3 3.83Å; P89-W121 HydrophobicContact CB-CH2 3.49Å; P89-W121 VanDerWaalsContact CB-CH2 3.49Å; P89-W121 HydrophobicContact CB-CZ2 3.56Å; P89-W121 HydrophobicContact CB-CZ3 3.63Å; P89-W121 HydrophobicContact CG-CD2 4.09Å; P89-W121 HydrophobicContact CG-CE3 4.29Å; P89-W121 HydrophobicContact CG-CZ2 4.31Å | ||
| 90 | S | 44.6 | Very low | 58.3 | Low | 29 Ų | 29 | 44.4 Ų | 44.4 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -60.2 | -21.2 | -175.5 | -32.2 | 0 | 0 | 0 | 0 | 112.5 | Q6 D189 | Q6-S90 PolarHBondContact OE1-OG 3Å; S90-D189 WeakPolarHBondContact CB-OD2 3.22Å; S90-D189 PolarHBondContact N-OD2 2.87Å; S90-D189 PolarHBondContact OG-OD2 2.94Å |
| 91 | N | 40.2 | Very low | 58.9 | Low | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -155.4 | 156.8 | 161.9 | -75.2 | -80.5 | 0 | 0 | 0 | 110.8 | Q6 R7 V8 I10 M70 P89 | Q6-N91 VanDerWaalsContact C-ND2 3.32Å; Q6-N91 PolarHBondContact O-ND2 2.83Å; R7-N91 VanDerWaalsContact CA-ND2 3.32Å; R7-N91 WeakPolarHBondContact CA-ND2 3.48Å; R7-N91 PolarHBondContact N-ND2 3.14Å; V8-N91 HydrophobicContact CB-CB 3.91Å; V8-N91 VanDerWaalsContact CB-O 3.23Å; V8-N91 WeakPolarHBondContact CB-O 3.13Å; V8-N91 VanDerWaalsContact CG1-O 3.22Å; V8-N91 WeakPolarHBondContact CG1-O 3.42Å; V8-N91 HydrophobicContact CG2-CB 4.11Å; I10-N91 VanDerWaalsContact CD1-C 3.43Å; I10-N91 HydrophobicContact CD1-CB 3.91Å; I10-N91 WeakPolarHBondContact CD1-O 3.49Å; M70-N91 HydrophobicContact CB-CB 3.85Å; M70-N91 HydrophobicContact CE-CB 3.95Å; M70-N91 HydrophobicContact CG-CB 4.47Å; M70-N91 PolarHBondContact O-ND2 2.98Å; M70-N91 VanDerWaalsContact O-ND2 3.13Å; P89-N91 WeakPolarHBondContact CB-O 3.34Å; P89-N91 WeakPolarHBondContact CG-O 3.24Å; P89-N91 PolarHBondContact O-N 3.06Å |
| 92 | A | 34.9 | Very low | 59.7 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -145.4 | 155.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I10 F18 M70 F79 F83 P89 | I10-A92 VanDerWaalsContact CD1-C 3.47Å; I10-A92 VanDerWaalsContact CD1-N 3.31Å; F18-A92 HydrophobicContact CD1-CB 4.36Å; F18-A92 VanDerWaalsContact CD1-O 3.27Å; F18-A92 WeakPolarHBondContact CD1-O 3.31Å; F18-A92 VanDerWaalsContact CD2-O 3.27Å; F18-A92 WeakPolarHBondContact CD2-O 3.47Å; F18-A92 HydrophobicContact CE1-CB 3.34Å; F18-A92 WeakPolarHBondContact CE1-O 3.45Å; F18-A92 WeakPolarHBondContact CE2-O 3.3Å; F18-A92 WeakPolarHBondContact CG-O 3.43Å; F18-A92 HydrophobicContact CZ-CB 3.46Å; F18-A92 VanDerWaalsContact CZ-CB 3.46Å; F18-A92 WeakPolarHBondContact CZ-O 3.23Å; M70-A92 WeakPolarHBondContact CE-O 3.17Å; F79-A92 HydrophobicContact CD2-CB 3.42Å; F79-A92 VanDerWaalsContact CD2-CB 3.42Å; F79-A92 HydrophobicContact CE2-CB 3.28Å; F79-A92 HydrophobicContact CZ-CB 4.47Å; F83-A92 HydrophobicContact CE2-CB 4.25Å; P89-A92 HydrophobicContact CG-CB 3.56Å | ||
| 93 | A | 44 | Very low | 60.8 | Low | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | trans | -166 | 163.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | I10 I11 I12 F18 M70 | I10-A93 HydrophobicContact CB-CB 3.5Å; I10-A93 HydrophobicContact CD1-CB 4.08Å; I10-A93 HydrophobicContact CG1-CB 3.93Å; I10-A93 HydrophobicContact CG2-CB 3.99Å; I10-A93 VanDerWaalsContact CG2-N 3.33Å; I11-A93 CarbonylContact O-C 3.34Å; I11-A93 VanDerWaalsContact O-C 3.31Å; I12-A93 HydrophobicContact CB-CB 3.4Å; I12-A93 HydrophobicContact CD1-CB 3.85Å; I12-A93 HydrophobicContact CG1-CB 4.16Å; I12-A93 HydrophobicContact CG2-CB 3.67Å; F18-A93 HydrophobicContact CE2-CB 4.5Å; M70-A93 HydrophobicContact SD-CB 4.06Å | ||
| 94 | T | 48.5 | Very low | 61.8 | Low | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | trans | -152.2 | 86.2 | -161.6 | 73.1 | 0 | 0 | 0 | 0 | 120.9 | I11 I12 S13 I17 F18 F83 G184 A185 | I11-T94 CarbonylContact O-C 3.45Å; I11-T94 WeakPolarHBondContact O-CA 3.44Å; I11-T94 PolarHBondContact O-N 2.85Å; I12-T94 HydrophobicContact CD1-CG2 4.33Å; I12-T94 VanDerWaalsContact CD1-N 3.28Å; I12-T94 WeakPolarHBondContact CD1-OG1 3.49Å; S13-T94 PolarHBondContact N-O 2.91Å; I17-T94 HydrophobicContact CD1-CG2 3.51Å; I17-T94 WeakPolarHBondContact CD1-OG1 3.42Å; F18-T94 HydrophobicContact CE2-CG2 4.17Å; F83-T94 HydrophobicContact CE2-CG2 4.01Å; F83-T94 HydrophobicContact CZ-CG2 4.05Å; T94-G184 CarbonylContact C-O 3.57Å; T94-G184 WeakPolarHBondContact CA-O 3.38Å; T94-G184 VanDerWaalsContact CB-O 3.28Å; T94-G184 WeakPolarHBondContact CB-O 3.35Å; T94-A185 HydrophobicContact CG2-CB 3.32Å | ||
| 95 | D | 40.1 | Very low | 62.6 | Low | 44 Ų | 44 | 29.3 Ų | 29.3 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | trans | -110.1 | 168.8 | -178.5 | -144 | -24.7 | 0 | 0 | 0 | 114.4 | I11 I12 S13 F179 G184 | I11-D95 HydrophobicContact CG2-CB 3.62Å; I11-D95 PolarHBondContact O-N 2.65Å; I12-D95 VanDerWaalsContact CA-N 3.35Å; S13-D95 VanDerWaalsContact CB-OD1 3.31Å; S13-D95 WeakPolarHBondContact CB-OD1 3.5Å; S13-D95 VanDerWaalsContact N-CB 3.28Å; D95-F179 WeakPolarHBondContact O-CD1 3.35Å; D95-G184 PolarHBondContact N-O 3.2Å | ||
| 96 | S | 40.2 | Very low | 63.4 | Low | 56 Ų | 56 | 28 Ų | 28 | 39% | 0.392 | 17% | 0.173 | S | C | . | . | trans | -106 | 130.4 | -161.9 | 56.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 97 | S | 46.1 | Very low | 64.4 | Low | 84 Ų | 84 | 24.1 Ų | 24.1 | 59% | 0.587 | 15% | 0.145 | S | C | * | . | S | Bend | trans | 49.9 | 61.4 | 159.6 | 69.9 | 0 | 0 | 0 | 0 | 119.3 | ||
| 98 | D | 66.2 | Low | 64.9 | Low | 73 Ų | 73 | 22.8 Ų | 22.8 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -161.5 | -173.7 | 153.7 | -104.2 | -36.3 | 0 | 0 | 0 | 110.5 | K64 L65 F179 | K64-D98 HydrophobicContact CB-CB 3.79Å; K64-D98 HydrophobicContact CD-CB 3.82Å; K64-D98 WeakPolarHBondContact CD-OD1 3.3Å; K64-D98 VanDerWaalsContact CD-OD2 3.27Å; K64-D98 WeakPolarHBondContact CD-OD2 3.43Å; K64-D98 WeakPolarHBondContact CE-OD1 3.49Å; K64-D98 IonicContact NZ-OD1 2.73Å; K64-D98 PolarHBondContact NZ-OD1 3.07Å; K64-D98 IonicContact NZ-OD2 3.38Å; L65-D98 HydrophobicContact CD1-CB 3.94Å; L65-D98 WeakPolarHBondContact CD1-O 3.35Å; L65-D98 HydrophobicContact CG-CB 3.84Å; D98-F179 WeakPolarHBondContact O-CD2 3.43Å; D98-F179 WeakPolarHBondContact O-CE2 3.37Å |
| 99 | E | 79.1 | Confident | 65.9 | Low | 66 Ų | 66 | 20.9 Ų | 20.9 | 31% | 0.308 | 13% | 0.127 | S | C | . | . | trans | -98.5 | 143.9 | 179.2 | -174.4 | 175.8 | 134.8 | 0 | 0 | 111.6 | K64 L65 Q101 V175 | K64-E99 PolarHBondContact N-O 2.95Å; L65-E99 PolarHBondContact N-O 3.47Å; E99-Q101 HydrophobicContact CG-CG 4.43Å; E99-Q101 PolarHBondContact OE1-NE2 2.81Å; E99-V175 HydrophobicContact CG-CG1 3.6Å; E99-V175 WeakPolarHBondContact OE1-CG1 3.45Å | ||
| 100 | A | 84.8 | Confident | 67.2 | Low | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I11 D63 L65 W67 V175 A176 | I11-A100 HydrophobicContact CD1-CB 3.23Å; I11-A100 HydrophobicContact CG1-CB 3.94Å; D63-A100 WeakPolarHBondContact OD1-CA 3.41Å; L65-A100 HydrophobicContact CB-CB 3.91Å; L65-A100 WeakPolarHBondContact O-CB 3.31Å; W67-A100 PolarHBondContact NE1-O 2.91Å; A100-V175 WeakPolarHBondContact O-CA 3.38Å; A100-A176 HydrophobicContact CB-CB 4.32Å; A100-A176 PolarHBondContact N-O 2.84Å; A100-A176 PolarHBondContact O-N 2.76Å |
| 101 | Q | 88.3 | Confident | 68.8 | Low | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115.6 | -174.6 | -63 | -169.6 | 1.1 | 0 | 0 | 112.8 | N58 D63 E99 V173 V175 | N58-Q101 HydrophobicContact CB-CB 3.86Å; N58-Q101 WeakPolarHBondContact CB-O 3.27Å; N58-Q101 PolarHBondContact N-O 2.84Å; N58-Q101 PolarHBondContact ND2-OE1 2.85Å; D63-Q101 PolarHBondContact OD2-N 3.29Å; E99-Q101 HydrophobicContact CG-CG 4.43Å; E99-Q101 PolarHBondContact OE1-NE2 2.81Å; Q101-V173 HydrophobicContact CB-CG1 4.04Å; Q101-V173 HydrophobicContact CG-CG1 4.45Å; Q101-V175 HydrophobicContact CG-CG1 4.31Å; Q101-V175 HydrophobicContact CG-CG2 4.13Å |
| 102 | F | 90.5 | Very high | 71.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118 | 174.5 | -166.6 | -121.2 | 0 | 0 | 0 | 110.2 | L9 Y26 F49 W55 Q56 W67 V173 I174 I188 I191 | L9-F102 HydrophobicContact CD1-CD2 4.11Å; L9-F102 HydrophobicContact CD1-CE2 3.66Å; L9-F102 HydrophobicContact CD1-CZ 3.9Å; L9-F102 HydrophobicContact CD2-CB 3.78Å; L9-F102 HydrophobicContact CD2-CD1 3.36Å; L9-F102 HydrophobicContact CD2-CD2 3.39Å; L9-F102 HydrophobicContact CD2-CE1 3.59Å; L9-F102 HydrophobicContact CD2-CE2 3.63Å; L9-F102 HydrophobicContact CD2-CG 3.24Å; L9-F102 HydrophobicContact CD2-CZ 3.71Å; L9-F102 HydrophobicContact CG-CD2 4.36Å; L9-F102 HydrophobicContact CG-CE2 4.28Å; L9-F102 HydrophobicContact CG-CZ 4.38Å; Y26-F102 AromaticContact CD1-CE2 3.5Å; Y26-F102 HydrophobicContact CD1-CE2 3.5Å; Y26-F102 VanDerWaalsContact CD1-CE2 3.5Å; Y26-F102 AromaticContact CD1-CZ 3.73Å; Y26-F102 HydrophobicContact CD1-CZ 3.73Å; Y26-F102 AromaticContact CE1-CE2 3.82Å; Y26-F102 HydrophobicContact CE1-CE2 3.82Å; Y26-F102 AromaticContact CE1-CZ 3.62Å; Y26-F102 HydrophobicContact CE1-CZ 3.62Å; Y26-F102 HydrophobicContact CG-CE2 4.28Å; Y26-F102 HydrophobicContact CG-CZ 4.46Å; F49-F102 AromaticContact CE1-CE1 3.75Å; F49-F102 HydrophobicContact CE1-CE1 3.75Å; F49-F102 AromaticContact CE1-CZ 3.76Å; F49-F102 HydrophobicContact CE1-CZ 3.76Å; F49-F102 HydrophobicContact CZ-CE1 4.13Å; W55-F102 HydrophobicContact CB-CD1 4.16Å; W55-F102 HydrophobicContact CB-CE1 3.3Å; W55-F102 HydrophobicContact CB-CE2 4.06Å; W55-F102 HydrophobicContact CB-CZ 3.25Å; W55-F102 HydrophobicContact CD2-CD1 4.05Å; W55-F102 AromaticContact CD2-CE1 3.72Å; W55-F102 HydrophobicContact CD2-CE1 3.72Å; W55-F102 AromaticContact CE3-CD1 3.41Å; W55-F102 HydrophobicContact CE3-CD1 3.41Å; W55-F102 VanDerWaalsContact CE3-CD1 3.41Å; W55-F102 AromaticContact CE3-CE1 3.59Å; W55-F102 HydrophobicContact CE3-CE1 3.59Å; W55-F102 HydrophobicContact CE3-CG 4.33Å; W55-F102 HydrophobicContact CG-CD1 4.39Å; W55-F102 AromaticContact CG-CE1 3.64Å; W55-F102 HydrophobicContact CG-CE1 3.64Å; W55-F102 HydrophobicContact CG-CZ 4.1Å; W55-F102 HydrophobicContact CZ3-CD1 4.16Å; Q56-F102 VanDerWaalsContact C-CD2 3.45Å; Q56-F102 WeakPolarHBondContact O-CD2 3.29Å; Q56-F102 WeakPolarHBondContact O-CE2 3.44Å; W67-F102 HydrophobicContact CB-CD2 4.31Å; W67-F102 HydrophobicContact CD2-CB 4.31Å; W67-F102 HydrophobicContact CG-CB 4.07Å; W67-F102 HydrophobicContact CG-CD2 4.49Å; F102-V173 CarbonylContact O-C 3.09Å; F102-V173 WeakPolarHBondContact O-CA 3.1Å; F102-I174 HydrophobicContact CB-CB 4.5Å; F102-I174 PolarHBondContact N-O 2.99Å; F102-I174 PolarHBondContact O-N 3.1Å; F102-I188 HydrophobicContact CD1-CD1 4.24Å; F102-I191 HydrophobicContact CE1-CD1 4.3Å |
| 103 | H | 90.6 | Very high | 74 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.3 | -176.8 | 75.8 | 152.8 | 0 | 0 | 0 | 113.5 | F31 W55 Q56 R133 D171 I172 V173 | F31-H103 AromaticContact CE2-NE2 3.88Å; F31-H103 AromaticContact CZ-CE1 3.6Å; F31-H103 AromaticContact CZ-NE2 3.41Å; F31-H103 WeakPolarHBondContact CZ-NE2 3.41Å; W55-H103 CarbonylContact C-O 3.59Å; W55-H103 WeakPolarHBondContact CA-O 3.19Å; W55-H103 VanDerWaalsContact CE3-C 3.43Å; Q56-H103 PolarHBondContact N-O 2.82Å; Q56-H103 PolarHBondContact O-CD2 3.33Å; Q56-H103 PolarHBondContact O-N 2.73Å; H103-R133 PolarHBondContact ND1-NH2 3.36Å; H103-D171 IonicContact CE1-OD2 2.61Å; H103-D171 IonicContact CG-OD2 2.76Å; H103-D171 IonicContact ND1-OD2 2.75Å; H103-D171 PolarHBondContact ND1-OD2 2.77Å; H103-I172 CarbonylContact C-O 3.34Å; H103-I172 VanDerWaalsContact CA-O 3.32Å; H103-I172 WeakPolarHBondContact CA-O 3.39Å; H103-V173 HydrophobicContact CB-CG1 4.43Å; H103-V173 HydrophobicContact CB-CG2 4.06Å |
| 104 | S | 92.8 | Very high | 76.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 163.6 | 175.5 | 77.2 | 0 | 0 | 0 | 0 | 111.4 | C54 W55 D171 I172 | C54-S104 CarbonylContact O-C 3.49Å; W55-S104 VanDerWaalsContact CE3-N 3.3Å; S104-D171 WeakPolarHBondContact O-CB 3.42Å; S104-I172 PolarHBondContact N-O 2.68Å; S104-I172 PolarHBondContact OG-N 3.5Å |
| 105 | C | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 142 | 152.4 | -67.8 | 0 | 0 | 0 | 0 | 109 | F31 G36 V39 L45 C54 | F31-C105 HydrophobicContact CD2-CB 4.47Å; F31-C105 WeakPolarHBondContact CD2-SG 3.48Å; G36-C105 CarbonylContact O-C 3.57Å; G36-C105 WeakPolarHBondContact O-CA 3.49Å; V39-C105 HydrophobicContact CG1-CB 3.89Å; L45-C105 HydrophobicContact CD2-CB 4Å; L45-C105 WeakPolarHBondContact CD2-O 3.45Å; C54-C105 VanDerWaalsContact C-SG 3.53Å; C54-C105 VanDerWaalsContact CA-SG 3.5Å; C54-C105 HydrophobicContact CB-CB 3.72Å; C54-C105 WeakPolarHBondContact CB-SG 3.04Å; C54-C105 PolarHBondContact O-N 3.05Å; C54-C105 PolarHBondContact O-SG 2.9Å; C54-C105 WeakPolarHBondContact SG-CB 3.13Å; C54-C105 CovalentContact SG-SG 2.03Å; C54-C105 PolarHBondContact SG-SG 2.91Å |
| 106 | S | 84.2 | Confident | 81.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 156.6 | -176.2 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | G36 P38 V39 F136 F170 | G36-S106 PolarHBondContact O-N 2.85Å; G36-S106 PolarHBondContact O-OG 3.03Å; P38-S106 CarbonylContact C-O 2.86Å; P38-S106 WeakPolarHBondContact CA-O 3.03Å; P38-S106 WeakPolarHBondContact CA-OG 3.47Å; V39-S106 WeakPolarHBondContact CG2-O 3.38Å; V39-S106 PolarHBondContact N-O 3.01Å; S106-F136 VanDerWaalsContact OG-CE1 3.26Å; S106-F136 WeakPolarHBondContact OG-CE1 3.38Å; S106-F136 WeakPolarHBondContact OG-CZ 3.07Å; S106-F170 CarbonylContact C-O 3.5Å; S106-F170 WeakPolarHBondContact CA-O 3.27Å |
| 107 | I | 82.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.8 | 168.4 | -58.9 | 172.2 | 0 | 0 | 0 | 107.6 | V39 L45 T110 V114 F169 F170 I172 V193 F195 | V39-I107 HydrophobicContact CG2-CG1 3.99Å; L45-I107 HydrophobicContact CD1-CD1 3.92Å; L45-I107 HydrophobicContact CD1-CG1 3.85Å; I107-T110 HydrophobicContact CG2-CG2 3.57Å; I107-V114 HydrophobicContact CD1-CG1 4.21Å; I107-V114 HydrophobicContact CD1-CG2 4.26Å; I107-F169 VanDerWaalsContact O-CA 3.29Å; I107-F169 WeakPolarHBondContact O-CA 3.31Å; I107-F169 PolarHBondContact O-N 3.11Å; I107-F170 HydrophobicContact CB-CE1 4.26Å; I107-F170 HydrophobicContact CB-CE2 4.41Å; I107-F170 HydrophobicContact CB-CZ 4.1Å; I107-F170 HydrophobicContact CD1-CE2 4.03Å; I107-F170 HydrophobicContact CD1-CZ 4.11Å; I107-F170 HydrophobicContact CG2-CE1 4.46Å; I107-F170 HydrophobicContact CG2-CZ 4.38Å; I107-F170 PolarHBondContact N-O 3.2Å; I107-F170 PolarHBondContact O-N 2.78Å; I107-I172 HydrophobicContact CD1-CD1 4.05Å; I107-V193 HydrophobicContact CD1-CG1 4.48Å; I107-F195 HydrophobicContact CD1-CD1 3.9Å; I107-F195 HydrophobicContact CD1-CD2 4.47Å; I107-F195 HydrophobicContact CD1-CE1 3.99Å; I107-F195 HydrophobicContact CD1-CG 4.14Å; I107-F195 HydrophobicContact CD1-CZ 4.32Å; I107-F195 HydrophobicContact CG1-CE1 4.2Å; I107-F195 HydrophobicContact CG1-CE2 4.44Å; I107-F195 HydrophobicContact CG1-CZ 4.13Å; I107-F195 HydrophobicContact CG2-CD2 3.88Å; I107-F195 HydrophobicContact CG2-CE2 3.6Å; I107-F195 HydrophobicContact CG2-CZ 4.1Å |
| 108 | A | 73.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -47 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P38 E168 F169 | P38-A108 HydrophobicContact CB-CB 3.69Å; P38-A108 HydrophobicContact CG-CB 4.06Å; A108-E168 CarbonylContact O-C 3.52Å; A108-E168 WeakPolarHBondContact O-CA 3.48Å; A108-F169 HydrophobicContact CB-CD1 4.48Å; A108-F169 HydrophobicContact CB-CE1 3.98Å; A108-F169 PolarHBondContact O-N 3.21Å |
| 109 | C | 73.7 | Confident | 87.7 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 137.7 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | G167 E168 C198 V343 | C109-G167 CarbonylContact C-O 3.58Å; C109-G167 WeakPolarHBondContact CA-O 2.93Å; C109-E168 HydrophobicContact CB-CG 4.39Å; C109-C198 HydrophobicContact CB-CB 3.66Å; C109-C198 WeakPolarHBondContact CB-SG 3.28Å; C109-C198 PolarHBondContact O-N 2.75Å; C109-C198 PolarHBondContact O-SG 2.88Å; C109-C198 WeakPolarHBondContact SG-CB 3.47Å; C109-C198 CovalentContact SG-SG 2.03Å; C109-C198 PolarHBondContact SG-SG 2.83Å; C109-V343 HydrophobicContact CB-CG2 4.47Å |
| 110 | T | 79.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.2 | 167.3 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | I107 V114 P166 G167 F170 F195 C198 | I107-T110 HydrophobicContact CG2-CG2 3.57Å; T110-V114 HydrophobicContact CG2-CG2 3.86Å; T110-P166 VanDerWaalsContact O-CB 3.26Å; T110-P166 WeakPolarHBondContact O-CB 3.11Å; T110-P166 WeakPolarHBondContact OG1-CA 3.36Å; T110-G167 PolarHBondContact N-O 3.08Å; T110-G167 PolarHBondContact O-N 3.06Å; T110-G167 PolarHBondContact OG1-N 3.47Å; T110-F170 HydrophobicContact CG2-CZ 4.4Å; T110-F195 HydrophobicContact CG2-CB 3.99Å; T110-F195 HydrophobicContact CG2-CD2 3.65Å; T110-F195 HydrophobicContact CG2-CG 4.17Å; T110-C198 VanDerWaalsContact C-SG 3.59Å; T110-C198 VanDerWaalsContact CA-SG 3.54Å; T110-C198 PolarHBondContact N-SG 2.8Å |
| 111 | E | 79.7 | Confident | 88.4 | Confident | 156 Ų | 156 | 30.7 Ų | 30.7 | 73% | 0.729 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -92.8 | -23.4 | 171.2 | -61.2 | -176.7 | 174.6 | 0 | 0 | 111.9 | ||
| 112 | E | 89.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 30.5 Ų | 30.5 | 51% | 0.509 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -104.5 | 151.2 | -179.7 | -61.6 | -175.5 | 138.4 | 0 | 0 | 111.3 | V114 T196 | E112-V114 PolarHBondContact O-N 2.99Å; E112-T196 VanDerWaalsContact OE2-CB 3.26Å; E112-T196 WeakPolarHBondContact OE2-CB 3.22Å; E112-T196 PolarHBondContact OE2-OG1 3.1Å |
| 113 | P | 93.4 | Very high | 87.6 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 136.7 | 175.8 | -25.3 | 34.5 | 0 | 0 | 0 | 113.3 | E163 L164 | P113-E163 HydrophobicContact CB-CB 4.49Å; P113-L164 CarbonylContact C-O 3.59Å; P113-L164 VanDerWaalsContact CA-O 3.23Å; P113-L164 WeakPolarHBondContact CA-O 2.96Å; P113-L164 WeakPolarHBondContact CB-O 3.38Å |
| 114 | V | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.5 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | I107 T110 E112 V116 L164 F170 I172 V193 F195 | I107-V114 HydrophobicContact CD1-CG1 4.21Å; I107-V114 HydrophobicContact CD1-CG2 4.26Å; T110-V114 HydrophobicContact CG2-CG2 3.86Å; E112-V114 PolarHBondContact O-N 2.99Å; V114-V116 HydrophobicContact CG1-CG2 4.24Å; V114-L164 HydrophobicContact CB-CB 4.35Å; V114-L164 PolarHBondContact N-O 2.82Å; V114-L164 PolarHBondContact O-N 3.22Å; V114-F170 HydrophobicContact CG2-CE2 4.23Å; V114-F170 HydrophobicContact CG2-CZ 3.78Å; V114-I172 HydrophobicContact CG1-CD1 4.1Å; V114-V193 HydrophobicContact CG1-CG1 3.5Å; V114-V193 VanDerWaalsContact CG1-CG1 3.5Å; V114-F195 HydrophobicContact CB-CB 4.37Å; V114-F195 HydrophobicContact CG1-CB 4.15Å; V114-F195 HydrophobicContact CG2-CB 3.76Å |
| 115 | K | 97.4 | Very high | 86.5 | Confident | 82 Ų | 82 | 36.6 Ų | 36.6 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.7 | 177 | -48.2 | -165.7 | -174.2 | -136.4 | 0 | 109.8 | T161 V162 E163 V193 E194 | K115-T161 HydrophobicContact CB-CG2 4.25Å; K115-V162 WeakPolarHBondContact CA-O 3.45Å; K115-E163 WeakPolarHBondContact CE-OE1 3.39Å; K115-E163 HydrophobicContact CG-CG 4.32Å; K115-E163 IonicContact NZ-OE1 2.7Å; K115-E163 PolarHBondContact NZ-OE1 3.06Å; K115-V193 CarbonylContact O-C 3.56Å; K115-V193 WeakPolarHBondContact O-CA 3.38Å; K115-E194 HydrophobicContact CB-CB 4.26Å; K115-E194 PolarHBondContact N-O 2.66Å; K115-E194 PolarHBondContact O-N 3.13Å |
| 116 | V | 97.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.1 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 108 | V114 L118 V130 T161 V162 L164 I172 V193 | V114-V116 HydrophobicContact CG1-CG2 4.24Å; V116-L118 HydrophobicContact CG1-CD2 4.23Å; V116-V130 HydrophobicContact CB-CG1 4.3Å; V116-V130 HydrophobicContact CG1-CG1 4.17Å; V116-V130 HydrophobicContact CG2-CG1 4.33Å; V116-T161 CarbonylContact O-C 3.55Å; V116-T161 VanDerWaalsContact O-CA 3.27Å; V116-T161 WeakPolarHBondContact O-CA 3.22Å; V116-V162 HydrophobicContact CB-CG2 3.89Å; V116-V162 PolarHBondContact N-O 2.67Å; V116-V162 PolarHBondContact O-N 3.46Å; V116-L164 HydrophobicContact CG2-CD1 3.67Å; V116-L164 HydrophobicContact CG2-CG 4.23Å; V116-I172 HydrophobicContact CG1-CG2 4.5Å; V116-I172 HydrophobicContact CG2-CD1 3.87Å; V116-I172 HydrophobicContact CG2-CG2 4.07Å; V116-V193 HydrophobicContact CG2-CG1 4.45Å |
| 117 | S | 96.6 | Very high | 86.5 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.1 | 175.7 | -158.7 | 0 | 0 | 0 | 0 | 109.7 | T160 T161 Q192 | S117-T160 WeakPolarHBondContact CA-O 3.48Å; S117-T161 WeakPolarHBondContact CB-OG1 3.36Å; S117-T161 PolarHBondContact OG-OG1 3.28Å; S117-Q192 PolarHBondContact N-O 3.3Å; S117-Q192 PolarHBondContact O-N 2.96Å |
| 118 | L | 94.8 | Very high | 87 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.6 | 175.8 | 63.6 | 152.1 | 0 | 0 | 0 | 111.1 | V116 H120 V130 L151 P159 T160 I174 I188 I191 | V116-L118 HydrophobicContact CG1-CD2 4.23Å; L118-H120 HydrophobicContact CD1-CB 4.37Å; L118-V130 HydrophobicContact CD2-CG2 4.09Å; L118-L151 HydrophobicContact CD1-CD1 3.93Å; L118-L151 HydrophobicContact CD2-CD1 4Å; L118-L151 HydrophobicContact CD2-CD2 4.47Å; L118-L151 HydrophobicContact CG-CD1 4.16Å; L118-P159 CarbonylContact O-C 3.44Å; L118-P159 VanDerWaalsContact O-CA 3.3Å; L118-P159 WeakPolarHBondContact O-CA 3.41Å; L118-T160 PolarHBondContact N-O 2.82Å; L118-T160 PolarHBondContact O-N 3.24Å; L118-I174 HydrophobicContact CD1-CD1 4.32Å; L118-I188 HydrophobicContact CD1-CB 3.9Å; L118-I188 HydrophobicContact CD1-CG2 3.64Å; L118-I191 HydrophobicContact CB-CG1 4.2Å |
| 119 | R | 92.9 | Very high | 88 | Confident | 111 Ų | 111 | 40.4 Ų | 40.4 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 137.5 | 160.2 | -65.9 | -173.9 | 171.8 | 147.2 | -4.4 | 109.3 | W121 I188 D189 D190 | R119-W121 HydrophobicContact CB-CH2 3.53Å; R119-W121 HydrophobicContact CB-CZ3 3.56Å; R119-W121 HydrophobicContact CG-CH2 4.38Å; R119-I188 CarbonylContact O-C 3.57Å; R119-I188 VanDerWaalsContact O-CA 3.32Å; R119-I188 WeakPolarHBondContact O-CA 3.28Å; R119-D189 HydrophobicContact CB-CB 4.29Å; R119-D189 PolarHBondContact N-O 2.85Å; R119-D189 PolarHBondContact O-N 3.09Å; R119-D190 VanDerWaalsContact CD-OD2 3.27Å; R119-D190 WeakPolarHBondContact CD-OD2 3.26Å; R119-D190 HydrophobicContact CG-CB 4.31Å; R119-D190 IonicContact CZ-OD2 3.28Å; R119-D190 VanDerWaalsContact CZ-OD2 3.28Å; R119-D190 IonicContact NE-OD2 3.5Å; R119-D190 IonicContact NH1-OD2 2.62Å; R119-D190 PolarHBondContact NH1-OD2 3.46Å |
| 120 | H | 89.8 | Confident | 89.1 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.2 | 176.5 | 70.4 | -56.8 | 0 | 0 | 0 | 111.7 | L118 L128 L151 P152 S155 P157 G158 T160 A187 I188 | L118-H120 HydrophobicContact CD1-CB 4.37Å; H120-L128 HydrophobicContact CB-CD1 3.65Å; H120-L151 HydrophobicContact CB-CD1 4.23Å; H120-P152 PolarHBondContact NE2-O 2.92Å; H120-S155 PolarHBondContact CE1-O 2.86Å; H120-S155 PolarHBondContact CE1-OG 3.35Å; H120-P157 WeakPolarHBondContact O-CA 3.42Å; H120-G158 PolarHBondContact O-N 2.95Å; H120-T160 PolarHBondContact CE1-OG1 2.78Å; H120-T160 PolarHBondContact ND1-OG1 3.23Å; H120-A187 CarbonylContact C-O 3.59Å; H120-A187 VanDerWaalsContact CA-O 3.23Å; H120-A187 WeakPolarHBondContact CA-O 3.14Å; H120-I188 HydrophobicContact CB-CG2 4.3Å |
| 121 | W | 87.9 | Confident | 89.8 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.8 | 172.3 | -59.1 | -111.9 | 0 | 0 | 0 | 108.7 | F79 F83 S87 P89 R119 S156 P157 A186 A187 D189 | F79-W121 AromaticContact CZ-CD1 3.49Å; F79-W121 VanDerWaalsContact CZ-CD1 3.49Å; F79-W121 HydrophobicContact CZ-CG 4.1Å; F79-W121 AromaticContact CZ-NE1 3.78Å; F83-W121 HydrophobicContact CD1-CB 3.52Å; F83-W121 HydrophobicContact CE1-CB 3.76Å; F83-W121 HydrophobicContact CG-CB 4.28Å; S87-W121 PolarHBondContact O-NE1 3.29Å; P89-W121 HydrophobicContact CB-CD2 3.97Å; P89-W121 HydrophobicContact CB-CE3 3.83Å; P89-W121 HydrophobicContact CB-CH2 3.49Å; P89-W121 VanDerWaalsContact CB-CH2 3.49Å; P89-W121 HydrophobicContact CB-CZ2 3.56Å; P89-W121 HydrophobicContact CB-CZ3 3.63Å; P89-W121 HydrophobicContact CG-CD2 4.09Å; P89-W121 HydrophobicContact CG-CE3 4.29Å; P89-W121 HydrophobicContact CG-CZ2 4.31Å; R119-W121 HydrophobicContact CB-CH2 3.53Å; R119-W121 HydrophobicContact CB-CZ3 3.56Å; R119-W121 HydrophobicContact CG-CH2 4.38Å; W121-S156 WeakPolarHBondContact CA-OG 3.2Å; W121-P157 HydrophobicContact CD2-CB 4.43Å; W121-P157 HydrophobicContact CZ2-CB 3.94Å; W121-A186 CarbonylContact O-C 3.55Å; W121-A186 WeakPolarHBondContact O-CA 3.09Å; W121-A187 HydrophobicContact CB-CB 4.3Å; W121-A187 HydrophobicContact CE3-CB 4.24Å; W121-A187 PolarHBondContact N-O 3.49Å; W121-A187 PolarHBondContact O-N 2.88Å; W121-D189 HydrophobicContact CH2-CB 3.89Å; W121-D189 HydrophobicContact CZ3-CB 3.62Å |
| 122 | T | 84.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148 | 172.8 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | V126 L128 A185 A186 | T122-V126 HydrophobicContact CG2-CG1 4.25Å; T122-V126 PolarHBondContact OG1-O 2.83Å; T122-L128 HydrophobicContact CG2-CD1 3.64Å; T122-L128 HydrophobicContact CG2-CG 3.9Å; T122-A185 VanDerWaalsContact CA-O 3.3Å; T122-A185 WeakPolarHBondContact CA-O 3.4Å; T122-A186 HydrophobicContact CG2-CB 4.26Å |
| 123 | T | 78.7 | Confident | 90.2 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | trans | -73.4 | -178.6 | 169.1 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | A82 F83 R153 M183 G184 A185 | A82-T123 WeakPolarHBondContact O-CG2 3.3Å; F83-T123 HydrophobicContact CD1-CG2 4.5Å; F83-T123 HydrophobicContact CE1-CG2 4.49Å; T123-R153 PolarHBondContact O-NE 2.96Å; T123-M183 WeakPolarHBondContact CB-O 3.44Å; T123-M183 WeakPolarHBondContact CG2-O 3.26Å; T123-M183 PolarHBondContact OG1-O 3.05Å; T123-G184 WeakPolarHBondContact OG1-CA 3.41Å; T123-A185 HydrophobicContact CG2-CB 3.36Å; T123-A185 PolarHBondContact N-O 2.95Å; T123-A185 VanDerWaalsContact N-O 3.16Å; T123-A185 PolarHBondContact OG1-N 2.97Å | ||
| 124 | D | 79 | Confident | 89.5 | Confident | 118 Ų | 118 | 27.9 Ų | 27.9 | 63% | 0.631 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -59.8 | 147.3 | 165.4 | -154.1 | 30.7 | 0 | 0 | 0 | 111.2 | V126 R153 | D124-V126 PolarHBondContact O-N 2.9Å; D124-R153 IonicContact OD1-CZ 3.5Å; D124-R153 IonicContact OD1-NH1 3.03Å; D124-R153 PolarHBondContact OD1-NH1 2.95Å; D124-R153 IonicContact OD1-NH2 3.44Å |
| 125 | G | 80.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 76.9 | -44.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N178 | G125-N178 CarbonylContact C-O 3.41Å; G125-N178 PolarHBondContact O-ND2 2.61Å |
| 126 | V | 83.9 | Confident | 86.5 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | trans | -70.7 | 137.3 | -170.6 | 178.5 | 0 | 0 | 0 | 0 | 113.1 | T122 D124 F179 A185 A186 | T122-V126 HydrophobicContact CG2-CG1 4.25Å; T122-V126 PolarHBondContact OG1-O 2.83Å; D124-V126 PolarHBondContact O-N 2.9Å; V126-F179 HydrophobicContact CG1-CD1 4.21Å; V126-F179 HydrophobicContact CG1-CE1 3.95Å; V126-F179 HydrophobicContact CG1-CZ 4.26Å; V126-F179 HydrophobicContact CG2-CB 4.34Å; V126-F179 HydrophobicContact CG2-CD1 3.53Å; V126-F179 HydrophobicContact CG2-CE1 4.07Å; V126-F179 HydrophobicContact CG2-CG 4Å; V126-A185 VanDerWaalsContact CB-O 3.3Å; V126-A185 WeakPolarHBondContact CB-O 3.35Å; V126-A185 WeakPolarHBondContact CG1-O 2.95Å; V126-A186 HydrophobicContact CG1-CB 3.92Å | ||
| 127 | K | 88.8 | Confident | 84.7 | Confident | 68 Ų | 68 | 29.6 Ų | 29.6 | 30% | 0.296 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.7 | 180 | -67.5 | 179.8 | 166.4 | -120.4 | 0 | 110.9 | E150 A176 Y177 N178 | K127-E150 WeakPolarHBondContact CE-OE1 3.44Å; K127-E150 IonicContact NZ-OE1 3.51Å; K127-E150 PolarHBondContact NZ-OE1 3.36Å; K127-E150 IonicContact NZ-OE2 2.66Å; K127-E150 PolarHBondContact NZ-OE2 3.35Å; K127-A176 WeakPolarHBondContact O-CA 3.43Å; K127-Y177 HydrophobicContact CB-CD1 3.93Å; K127-Y177 HydrophobicContact CB-CD2 4.39Å; K127-Y177 HydrophobicContact CB-CE1 3.56Å; K127-Y177 HydrophobicContact CB-CE2 4.05Å; K127-Y177 HydrophobicContact CB-CG 4.34Å; K127-Y177 HydrophobicContact CD-CE1 4.37Å; K127-Y177 HydrophobicContact CD-CE2 3.64Å; K127-Y177 WeakPolarHBondContact CD-OH 3.45Å; K127-Y177 HydrophobicContact CG-CE2 4.48Å; K127-Y177 PolarHBondContact N-O 3.38Å; K127-Y177 PolarHBondContact O-N 3.47Å; K127-N178 HydrophobicContact CB-CB 4.48Å; K127-N178 HydrophobicContact CD-CB 4.28Å; K127-N178 HydrophobicContact CG-CB 4.32Å |
| 128 | L | 92.4 | Very high | 82.3 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142 | 168.1 | -80.7 | 167.7 | 0 | 0 | 0 | 108.9 | W67 H120 T122 E150 L151 I174 V175 A176 A186 I188 | W67-L128 HydrophobicContact CH2-CD2 3.78Å; W67-L128 HydrophobicContact CZ2-CD2 4.1Å; H120-L128 HydrophobicContact CB-CD1 3.65Å; T122-L128 HydrophobicContact CG2-CD1 3.64Å; T122-L128 HydrophobicContact CG2-CG 3.9Å; L128-E150 CarbonylContact O-C 3.57Å; L128-E150 WeakPolarHBondContact O-CA 3.36Å; L128-L151 HydrophobicContact CB-CB 4.22Å; L128-L151 HydrophobicContact CB-CD1 3.92Å; L128-L151 HydrophobicContact CB-CG 4.23Å; L128-L151 HydrophobicContact CD1-CD1 4.46Å; L128-L151 PolarHBondContact O-N 3.06Å; L128-I174 HydrophobicContact CD2-CG2 4.21Å; L128-V175 WeakPolarHBondContact CA-O 3.48Å; L128-A176 HydrophobicContact CD2-CB 3.68Å; L128-A186 HydrophobicContact CD1-CB 4.12Å; L128-A186 HydrophobicContact CD2-CB 3.92Å; L128-A186 HydrophobicContact CG-CB 3.99Å; L128-I188 HydrophobicContact CD1-CG2 3.9Å; L128-I188 HydrophobicContact CD2-CG2 4.32Å |
| 129 | Q | 94.8 | Very high | 80.4 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154.4 | 169.3 | 63.2 | -177 | 4 | 0 | 0 | 110.7 | Q149 I174 V175 Y177 | Q129-Q149 CarbonylContact C-O 3.56Å; Q129-Q149 WeakPolarHBondContact CA-O 3.4Å; Q129-Q149 WeakPolarHBondContact CB-O 3.48Å; Q129-I174 WeakPolarHBondContact O-CA 3.44Å; Q129-V175 HydrophobicContact CG-CB 3.79Å; Q129-V175 HydrophobicContact CG-CG2 4.44Å; Q129-V175 PolarHBondContact N-O 3.01Å; Q129-V175 PolarHBondContact O-N 3.32Å; Q129-Y177 HydrophobicContact CB-CE1 4.23Å; Q129-Y177 HydrophobicContact CG-CD1 4.28Å; Q129-Y177 HydrophobicContact CG-CE1 3.82Å |
| 130 | V | 96.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.7 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 107.7 | V116 L118 C148 Q149 L151 V162 L164 I172 V173 I174 | V116-V130 HydrophobicContact CB-CG1 4.3Å; V116-V130 HydrophobicContact CG1-CG1 4.17Å; V116-V130 HydrophobicContact CG2-CG1 4.33Å; L118-V130 HydrophobicContact CD2-CG2 4.09Å; V130-C148 CarbonylContact O-C 3.56Å; V130-C148 WeakPolarHBondContact O-CA 3.45Å; V130-Q149 PolarHBondContact N-O 2.79Å; V130-Q149 PolarHBondContact O-N 2.89Å; V130-L151 HydrophobicContact CG2-CD1 4.34Å; V130-L151 HydrophobicContact CG2-CD2 4.03Å; V130-L151 HydrophobicContact CG2-CG 4.34Å; V130-V162 HydrophobicContact CB-CG2 3.94Å; V130-V162 HydrophobicContact CG1-CG2 4.17Å; V130-V162 HydrophobicContact CG2-CG2 4.16Å; V130-L164 HydrophobicContact CG1-CD1 4.07Å; V130-L164 HydrophobicContact CG1-CD2 4.34Å; V130-I172 HydrophobicContact CG1-CG2 3.63Å; V130-V173 WeakPolarHBondContact CA-O 3.41Å; V130-I174 HydrophobicContact CG2-CG1 4.36Å |
| 131 | C | 94.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.7 | -178 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | L145 L146 C148 I172 V173 | C131-L145 HydrophobicContact CB-CB 4.1Å; C131-L145 HydrophobicContact CB-CD2 4.16Å; C131-L146 WeakPolarHBondContact CA-O 3.32Å; C131-L146 WeakPolarHBondContact CB-O 3.34Å; C131-C148 HydrophobicContact CB-CB 4.12Å; C131-C148 WeakPolarHBondContact CB-SG 3.29Å; C131-C148 WeakPolarHBondContact SG-CB 3.39Å; C131-C148 CovalentContact SG-SG 2.04Å; C131-C148 PolarHBondContact SG-SG 3.39Å; C131-I172 WeakPolarHBondContact O-CA 3.27Å; C131-V173 PolarHBondContact N-O 3.26Å; C131-V173 PolarHBondContact O-N 3.25Å |
| 132 | T | 91.5 | Very high | 76.2 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 148.5 | 157.8 | 53.8 | 0 | 0 | 0 | 0 | 109 | L146 N147 L164 F170 D171 | T132-L146 PolarHBondContact N-O 2.98Å; T132-L146 CarbonylContact O-C 3.59Å; T132-L146 WeakPolarHBondContact O-CA 3.15Å; T132-L146 PolarHBondContact O-N 2.82Å; T132-L146 VanDerWaalsContact O-O 3.04Å; T132-L146 PolarHBondContact OG1-O 3Å; T132-N147 PolarHBondContact OG1-ND2 2.88Å; T132-L164 HydrophobicContact CG2-CB 3.88Å; T132-L164 HydrophobicContact CG2-CD1 3.89Å; T132-L164 HydrophobicContact CG2-CD2 4.41Å; T132-L164 HydrophobicContact CG2-CG 4.27Å; T132-F170 HydrophobicContact CG2-CD2 3.81Å; T132-F170 HydrophobicContact CG2-CE2 4.08Å; T132-D171 CarbonylContact C-O 3.59Å; T132-D171 WeakPolarHBondContact CA-O 3.4Å |
| 133 | R | 85.3 | Confident | 75.5 | Confident | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.5 | 162.9 | 161.5 | -174.1 | 65.3 | -168.9 | 3.4 | 108.8 | N58 H103 A135 A143 L145 F170 D171 V173 | N58-R133 PolarHBondContact ND2-NH1 2.83Å; H103-R133 PolarHBondContact ND1-NH2 3.36Å; R133-A135 PolarHBondContact O-N 3.31Å; R133-A143 WeakPolarHBondContact CD-O 3.45Å; R133-A143 HydrophobicContact CG-CB 3.72Å; R133-A143 WeakPolarHBondContact CG-O 3.27Å; R133-L145 HydrophobicContact CB-CD2 4.25Å; R133-F170 CarbonylContact O-C 3.58Å; R133-F170 WeakPolarHBondContact O-CA 3.45Å; R133-F170 VanDerWaalsContact O-CB 3.28Å; R133-F170 WeakPolarHBondContact O-CB 3.48Å; R133-D171 VanDerWaalsContact CB-OD1 3.29Å; R133-D171 WeakPolarHBondContact CB-OD1 3.43Å; R133-D171 IonicContact CZ-OD1 3.61Å; R133-D171 IonicContact CZ-OD2 3.86Å; R133-D171 PolarHBondContact N-O 2.86Å; R133-D171 IonicContact NE-OD1 3.2Å; R133-D171 PolarHBondContact NE-OD1 2.76Å; R133-D171 IonicContact NE-OD2 2.64Å; R133-D171 PolarHBondContact NE-OD2 3.47Å; R133-D171 IonicContact NH2-OD1 3.73Å; R133-D171 IonicContact NH2-OD2 3.53Å; R133-D171 PolarHBondContact NH2-OD2 2.7Å; R133-D171 PolarHBondContact O-N 2.87Å; R133-V173 HydrophobicContact CB-CG2 4.01Å |
| 134 | E | 77.8 | Confident | 75.5 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.2 | 177.8 | -179.5 | -171.8 | 179 | 0 | 0 | 109.2 | F137 F169 | E134-F137 HydrophobicContact CB-CE2 3.76Å; E134-F137 VanDerWaalsContact CD-CE2 3.43Å; E134-F137 HydrophobicContact CG-CD2 4.46Å; E134-F137 HydrophobicContact CG-CE2 3.58Å; E134-F137 HydrophobicContact CG-CZ 4.33Å; E134-F137 WeakPolarHBondContact O-CD2 2.96Å; E134-F137 WeakPolarHBondContact OE2-CE2 3.28Å; E134-F137 WeakPolarHBondContact OE2-CZ 3.23Å; E134-F169 CarbonylContact C-O 3.57Å |
| 135 | A | 70.8 | Confident | 75.9 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.6 | 160.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R133 F137 F169 | R133-A135 PolarHBondContact O-N 3.31Å; A135-F137 VanDerWaalsContact C-N 3.34Å; A135-F137 PolarHBondContact O-N 2.92Å; A135-F169 WeakPolarHBondContact CB-O 3.39Å; A135-F169 PolarHBondContact N-O 3.11Å |
| 136 | F | 59.9 | Low | 76.2 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 20% | 0.197 | 23% | 0.233 | C | C | . | . | trans | 65 | 19.1 | 167.2 | -32.9 | -56.7 | 0 | 0 | 0 | 118.3 | S106 D138 F169 P271 L272 | S106-F136 VanDerWaalsContact OG-CE1 3.26Å; S106-F136 WeakPolarHBondContact OG-CE1 3.38Å; S106-F136 WeakPolarHBondContact OG-CZ 3.07Å; F136-D138 PolarHBondContact O-N 3.13Å; F136-F169 HydrophobicContact CE2-CB 4.24Å; F136-F169 AromaticContact CE2-CD1 3.9Å; F136-F169 HydrophobicContact CE2-CD1 3.9Å; F136-F169 HydrophobicContact CE2-CG 4.43Å; F136-P271 HydrophobicContact CD1-CG 4.11Å; F136-P271 HydrophobicContact CE1-CB 3.73Å; F136-P271 HydrophobicContact CE1-CG 3.42Å; F136-P271 VanDerWaalsContact CE1-CG 3.42Å; F136-P271 HydrophobicContact CE2-CB 4.16Å; F136-P271 HydrophobicContact CZ-CB 3.49Å; F136-P271 VanDerWaalsContact CZ-CB 3.49Å; F136-P271 HydrophobicContact CZ-CG 3.76Å; F136-L272 HydrophobicContact CB-CD1 4.28Å; F136-L272 HydrophobicContact CB-CD2 3.5Å; F136-L272 HydrophobicContact CB-CG 3.51Å; F136-L272 HydrophobicContact CD2-CD2 4.31Å; F136-L272 HydrophobicContact CD2-CG 4.32Å; F136-L272 HydrophobicContact CG-CD2 4.34Å; F136-L272 HydrophobicContact CG-CG 4.16Å | ||
| 137 | F | 57.5 | Low | 76.3 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | trans | -58.9 | 133.9 | 166.9 | -79.7 | -96.5 | 0 | 0 | 0 | 111.7 | E134 A135 N139 N142 A143 | E134-F137 HydrophobicContact CB-CE2 3.76Å; E134-F137 VanDerWaalsContact CD-CE2 3.43Å; E134-F137 HydrophobicContact CG-CD2 4.46Å; E134-F137 HydrophobicContact CG-CE2 3.58Å; E134-F137 HydrophobicContact CG-CZ 4.33Å; E134-F137 WeakPolarHBondContact O-CD2 2.96Å; E134-F137 WeakPolarHBondContact OE2-CE2 3.28Å; E134-F137 WeakPolarHBondContact OE2-CZ 3.23Å; A135-F137 VanDerWaalsContact C-N 3.34Å; A135-F137 PolarHBondContact O-N 2.92Å; F137-N139 WeakPolarHBondContact CB-O 3.2Å; F137-N139 PolarHBondContact O-N 3.08Å; F137-N142 HydrophobicContact CD1-CB 4.12Å; F137-A143 HydrophobicContact CB-CB 4.15Å; F137-A143 HydrophobicContact CD2-CB 3.41Å; F137-A143 VanDerWaalsContact CD2-CB 3.41Å; F137-A143 HydrophobicContact CE2-CB 3.89Å; F137-A143 HydrophobicContact CG-CB 3.83Å | ||
| 138 | D | 46.7 | Very low | 76.6 | Confident | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -58.1 | -28.2 | 174.7 | -64 | -68 | 0 | 0 | 0 | 112.4 | F136 R269 Q373 | F136-D138 PolarHBondContact O-N 3.13Å; D138-R269 IonicContact OD1-NH1 2.65Å; D138-Q373 PolarHBondContact OD2-NE2 3.2Å |
| 139 | N | 56.4 | Low | 76.8 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -127.1 | 111 | 163.2 | -179.9 | 5.4 | 0 | 0 | 0 | 109.1 | F137 E141 N142 | F137-N139 WeakPolarHBondContact CB-O 3.2Å; F137-N139 PolarHBondContact O-N 3.08Å; N139-E141 PolarHBondContact ND2-OE2 2.99Å; N139-E141 PolarHBondContact O-N 2.76Å; N139-E141 WeakPolarHBondContact OD1-CB 3.45Å; N139-E141 WeakPolarHBondContact OD1-CG 3.26Å; N139-E141 PolarHBondContact OD1-N 2.6Å; N139-N142 WeakPolarHBondContact O-CB 3.4Å; N139-N142 PolarHBondContact O-N 2.63Å |
| 140 | P | 54.6 | Low | 76.8 | Confident | 48 Ų | 48 | 54 Ų | 54 | 31% | 0.312 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -69.3 | -9.3 | -179 | 29.7 | -35.6 | 0 | 0 | 0 | 113.7 | L62 N142 A143 | L62-P140 HydrophobicContact CD1-CB 3.49Å; L62-P140 VanDerWaalsContact CD1-CB 3.49Å; L62-P140 HydrophobicContact CD1-CG 3.59Å; P140-N142 PolarHBondContact O-N 2.89Å; P140-A143 WeakPolarHBondContact O-CB 3.39Å; P140-A143 PolarHBondContact O-N 3.47Å |
| 141 | E | 63.5 | Low | 76.6 | Confident | 110 Ų | 110 | 54.3 Ų | 54.3 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.5 | -25.6 | 166 | -62.8 | 178.5 | 127.2 | 0 | 0 | 112.8 | P61 L62 N139 | P61-E141 HydrophobicContact CG-CG 4.12Å; P61-E141 WeakPolarHBondContact CG-OE1 3.46Å; L62-E141 HydrophobicContact CD2-CG 4.26Å; L62-E141 HydrophobicContact CG-CG 4.39Å; N139-E141 PolarHBondContact ND2-OE2 2.99Å; N139-E141 PolarHBondContact O-N 2.76Å; N139-E141 WeakPolarHBondContact OD1-CB 3.45Å; N139-E141 WeakPolarHBondContact OD1-CG 3.26Å; N139-E141 PolarHBondContact OD1-N 2.6Å |
| 142 | N | 63 | Low | 76.5 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -81.4 | -5.4 | 175.2 | -62.8 | -33 | 0 | 0 | 0 | 112.7 | F137 N139 P140 P144 | F137-N142 HydrophobicContact CD1-CB 4.12Å; N139-N142 WeakPolarHBondContact O-CB 3.4Å; N139-N142 PolarHBondContact O-N 2.63Å; P140-N142 PolarHBondContact O-N 2.89Å; N142-P144 WeakPolarHBondContact O-CD 3.44Å |
| 143 | A | 69.4 | Low | 76.2 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -107.8 | 84.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | R133 F137 P140 | R133-A143 WeakPolarHBondContact CD-O 3.45Å; R133-A143 HydrophobicContact CG-CB 3.72Å; R133-A143 WeakPolarHBondContact CG-O 3.27Å; F137-A143 HydrophobicContact CB-CB 4.15Å; F137-A143 HydrophobicContact CD2-CB 3.41Å; F137-A143 VanDerWaalsContact CD2-CB 3.41Å; F137-A143 HydrophobicContact CE2-CB 3.89Å; F137-A143 HydrophobicContact CG-CB 3.83Å; P140-A143 WeakPolarHBondContact O-CB 3.39Å; P140-A143 PolarHBondContact O-N 3.47Å |
| 144 | P | 79.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | trans | -62.7 | 153.1 | -178.2 | 27.9 | -35.9 | 0 | 0 | 0 | 111.3 | N142 L146 | N142-P144 WeakPolarHBondContact O-CD 3.44Å; P144-L146 HydrophobicContact CG-CD2 4.26Å; P144-L146 PolarHBondContact O-N 2.84Å | ||
| 145 | L | 86.1 | Confident | 76.6 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | trans | -68.6 | 129.1 | 168.1 | -60.3 | 173.9 | 0 | 0 | 0 | 109.6 | C131 R133 V173 V175 | C131-L145 HydrophobicContact CB-CB 4.1Å; C131-L145 HydrophobicContact CB-CD2 4.16Å; R133-L145 HydrophobicContact CB-CD2 4.25Å; L145-V173 HydrophobicContact CD2-CB 3.91Å; L145-V173 HydrophobicContact CD2-CG1 4.02Å; L145-V173 HydrophobicContact CD2-CG2 3.96Å; L145-V175 HydrophobicContact CD1-CG2 3.82Å | ||
| 146 | L | 86.4 | Confident | 77.2 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 159.1 | -178.2 | -58.5 | 176.2 | 0 | 0 | 0 | 110.2 | C131 T132 P144 C148 | C131-L146 WeakPolarHBondContact CA-O 3.32Å; C131-L146 WeakPolarHBondContact CB-O 3.34Å; T132-L146 PolarHBondContact N-O 2.98Å; T132-L146 CarbonylContact O-C 3.59Å; T132-L146 WeakPolarHBondContact O-CA 3.15Å; T132-L146 PolarHBondContact O-N 2.82Å; T132-L146 VanDerWaalsContact O-O 3.04Å; T132-L146 PolarHBondContact OG1-O 3Å; P144-L146 HydrophobicContact CG-CD2 4.26Å; P144-L146 PolarHBondContact O-N 2.84Å; L146-C148 PolarHBondContact O-N 3.18Å |
| 147 | N | 87.5 | Confident | 78.1 | Confident | 86 Ų | 86 | 67 Ų | 67 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 25.7 | 172.3 | -52.9 | -50.2 | 0 | 0 | 0 | 115.8 | T132 Q149 | T132-N147 PolarHBondContact OG1-ND2 2.88Å; N147-Q149 PolarHBondContact O-N 3.07Å |
| 148 | C | 94.2 | Very high | 78.9 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.7 | -176.1 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | V130 C131 L146 | V130-C148 CarbonylContact O-C 3.56Å; V130-C148 WeakPolarHBondContact O-CA 3.45Å; C131-C148 HydrophobicContact CB-CB 4.12Å; C131-C148 WeakPolarHBondContact CB-SG 3.29Å; C131-C148 WeakPolarHBondContact SG-CB 3.39Å; C131-C148 CovalentContact SG-SG 2.04Å; C131-C148 PolarHBondContact SG-SG 3.39Å; L146-C148 PolarHBondContact O-N 3.18Å |
| 149 | Q | 96.1 | Very high | 81 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.5 | 174.7 | -75.7 | 169 | 72.1 | 0 | 0 | 110.3 | Q129 V130 N147 V162 E163 | Q129-Q149 CarbonylContact C-O 3.56Å; Q129-Q149 WeakPolarHBondContact CA-O 3.4Å; Q129-Q149 WeakPolarHBondContact CB-O 3.48Å; V130-Q149 PolarHBondContact N-O 2.79Å; V130-Q149 PolarHBondContact O-N 2.89Å; N147-Q149 PolarHBondContact O-N 3.07Å; Q149-V162 HydrophobicContact CB-CB 4.24Å; Q149-V162 HydrophobicContact CB-CG1 3.89Å; Q149-E163 PolarHBondContact NE2-O 2.82Å |
| 150 | E | 94.7 | Very high | 82.8 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.1 | 177.6 | -174.3 | 173.8 | 136.7 | 0 | 0 | 111 | K127 L128 P152 Y177 | K127-E150 WeakPolarHBondContact CE-OE1 3.44Å; K127-E150 IonicContact NZ-OE1 3.51Å; K127-E150 PolarHBondContact NZ-OE1 3.36Å; K127-E150 IonicContact NZ-OE2 2.66Å; K127-E150 PolarHBondContact NZ-OE2 3.35Å; L128-E150 CarbonylContact O-C 3.57Å; L128-E150 WeakPolarHBondContact O-CA 3.36Å; E150-P152 WeakPolarHBondContact O-CD 3.38Å; E150-Y177 PolarHBondContact OE2-OH 3.34Å |
| 151 | L | 94.3 | Very high | 84.8 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 119.9 | 174.7 | -55.6 | -177.4 | 0 | 0 | 0 | 108.9 | L118 H120 L128 V130 R153 T160 V162 | L118-L151 HydrophobicContact CD1-CD1 3.93Å; L118-L151 HydrophobicContact CD2-CD1 4Å; L118-L151 HydrophobicContact CD2-CD2 4.47Å; L118-L151 HydrophobicContact CG-CD1 4.16Å; H120-L151 HydrophobicContact CB-CD1 4.23Å; L128-L151 HydrophobicContact CB-CB 4.22Å; L128-L151 HydrophobicContact CB-CD1 3.92Å; L128-L151 HydrophobicContact CB-CG 4.23Å; L128-L151 HydrophobicContact CD1-CD1 4.46Å; L128-L151 PolarHBondContact O-N 3.06Å; V130-L151 HydrophobicContact CG2-CD1 4.34Å; V130-L151 HydrophobicContact CG2-CD2 4.03Å; V130-L151 HydrophobicContact CG2-CG 4.34Å; L151-R153 PolarHBondContact O-N 2.71Å; L151-T160 HydrophobicContact CD2-CG2 3.79Å; L151-V162 HydrophobicContact CD2-CG1 3.74Å |
| 152 | P | 91.7 | Very high | 86.4 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 132.6 | -176.7 | 24.7 | -31.1 | 0 | 0 | 0 | 111 | H120 E150 S154 S155 | H120-P152 PolarHBondContact NE2-O 2.92Å; E150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-S154 PolarHBondContact O-N 3.23Å; P152-S154 VanDerWaalsContact O-N 3.12Å; P152-S155 PolarHBondContact O-N 2.89Å; P152-S155 VanDerWaalsContact O-N 3.1Å; P152-S155 PolarHBondContact O-OG 2.77Å |
| 153 | R | 84.4 | Confident | 88 | Confident | 127 Ų | 127 | 59.6 Ų | 59.6 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -60.2 | -23.7 | 176.4 | -177 | 172.6 | 170.3 | -138.7 | 6.9 | 113.1 | T123 D124 L151 S155 S156 | T123-R153 PolarHBondContact O-NE 2.96Å; D124-R153 IonicContact OD1-CZ 3.5Å; D124-R153 IonicContact OD1-NH1 3.03Å; D124-R153 PolarHBondContact OD1-NH1 2.95Å; D124-R153 IonicContact OD1-NH2 3.44Å; L151-R153 PolarHBondContact O-N 2.71Å; R153-S155 PolarHBondContact O-N 2.8Å; R153-S156 WeakPolarHBondContact O-CB 3.31Å; R153-S156 PolarHBondContact O-N 2.71Å; R153-S156 VanDerWaalsContact O-N 3.16Å |
| 154 | S | 86 | Confident | 89.2 | Confident | 117 Ų | 117 | 59.3 Ų | 59.3 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -67.6 | -13.8 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | P152 | P152-S154 PolarHBondContact O-N 3.23Å; P152-S154 VanDerWaalsContact O-N 3.12Å |
| 155 | S | 86.4 | Confident | 89.6 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -103.3 | 25.7 | 171.6 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | H120 P152 R153 P157 G158 T160 | H120-S155 PolarHBondContact CE1-O 2.86Å; H120-S155 PolarHBondContact CE1-OG 3.35Å; P152-S155 PolarHBondContact O-N 2.89Å; P152-S155 VanDerWaalsContact O-N 3.1Å; P152-S155 PolarHBondContact O-OG 2.77Å; R153-S155 PolarHBondContact O-N 2.8Å; S155-P157 CarbonylContact O-C 2.92Å; S155-G158 WeakPolarHBondContact O-CA 3.14Å; S155-G158 PolarHBondContact O-N 3.35Å; S155-T160 WeakPolarHBondContact CB-OG1 3.22Å; S155-T160 PolarHBondContact OG-OG1 3.08Å |
| 156 | S | 83.6 | Confident | 89.7 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | trans | -92.9 | 121.4 | 169.9 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | W121 R153 | W121-S156 WeakPolarHBondContact CA-OG 3.2Å; R153-S156 WeakPolarHBondContact O-CB 3.31Å; R153-S156 PolarHBondContact O-N 2.71Å; R153-S156 VanDerWaalsContact O-N 3.16Å | ||
| 157 | P | 78.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | S | Bend | cis | -73.9 | 150.8 | -4.2 | 35.5 | -38.8 | 0 | 0 | 0 | 112.2 | S87 H120 W121 S155 | S87-P157 WeakPolarHBondContact OG-CG 3.35Å; H120-P157 WeakPolarHBondContact O-CA 3.42Å; W121-P157 HydrophobicContact CD2-CB 4.43Å; W121-P157 HydrophobicContact CZ2-CB 3.94Å; S155-P157 CarbonylContact O-C 2.92Å |
| 158 | G | 74.2 | Confident | 88.6 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | trans | -67.6 | -171.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | H120 S155 | H120-G158 PolarHBondContact O-N 2.95Å; S155-G158 WeakPolarHBondContact O-CA 3.14Å; S155-G158 PolarHBondContact O-N 3.35Å | ||
| 159 | P | 90.1 | Very high | 87.6 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | cis | -81.5 | 149.3 | 24.3 | 30.4 | -36.4 | 0 | 0 | 0 | 114.6 | L118 | L118-P159 CarbonylContact O-C 3.44Å; L118-P159 VanDerWaalsContact O-CA 3.3Å; L118-P159 WeakPolarHBondContact O-CA 3.41Å | ||
| 160 | T | 95 | Very high | 86.9 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.9 | 163.9 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | S117 L118 H120 L151 S155 | S117-T160 WeakPolarHBondContact CA-O 3.48Å; L118-T160 PolarHBondContact N-O 2.82Å; L118-T160 PolarHBondContact O-N 3.24Å; H120-T160 PolarHBondContact CE1-OG1 2.78Å; H120-T160 PolarHBondContact ND1-OG1 3.23Å; L151-T160 HydrophobicContact CD2-CG2 3.79Å; S155-T160 WeakPolarHBondContact CB-OG1 3.22Å; S155-T160 PolarHBondContact OG-OG1 3.08Å |
| 161 | T | 96.5 | Very high | 86.6 | Confident | 81 Ų | 81 | 49 Ų | 49 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.4 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | K115 V116 S117 | K115-T161 HydrophobicContact CB-CG2 4.25Å; V116-T161 CarbonylContact O-C 3.55Å; V116-T161 VanDerWaalsContact O-CA 3.27Å; V116-T161 WeakPolarHBondContact O-CA 3.22Å; S117-T161 WeakPolarHBondContact CB-OG1 3.36Å; S117-T161 PolarHBondContact OG-OG1 3.28Å |
| 162 | V | 96.7 | Very high | 86.7 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.4 | 171.5 | -63.6 | 0 | 0 | 0 | 0 | 110 | K115 V116 V130 Q149 L151 | K115-V162 WeakPolarHBondContact CA-O 3.45Å; V116-V162 HydrophobicContact CB-CG2 3.89Å; V116-V162 PolarHBondContact N-O 2.67Å; V116-V162 PolarHBondContact O-N 3.46Å; V130-V162 HydrophobicContact CB-CG2 3.94Å; V130-V162 HydrophobicContact CG1-CG2 4.17Å; V130-V162 HydrophobicContact CG2-CG2 4.16Å; Q149-V162 HydrophobicContact CB-CB 4.24Å; Q149-V162 HydrophobicContact CB-CG1 3.89Å; L151-V162 HydrophobicContact CD2-CG1 3.74Å |
| 163 | E | 96.8 | Very high | 86.7 | Confident | 103 Ų | 103 | 45.9 Ų | 45.9 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 104.9 | 177.5 | -60.1 | -167.6 | 151.3 | 0 | 0 | 109.1 | P113 K115 Q149 | P113-E163 HydrophobicContact CB-CB 4.49Å; K115-E163 WeakPolarHBondContact CE-OE1 3.39Å; K115-E163 HydrophobicContact CG-CG 4.32Å; K115-E163 IonicContact NZ-OE1 2.7Å; K115-E163 PolarHBondContact NZ-OE1 3.06Å; Q149-E163 PolarHBondContact NE2-O 2.82Å |
| 164 | L | 94.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 149.2 | 177.7 | -58.8 | 176.9 | 0 | 0 | 0 | 110.2 | P113 V114 V116 V130 T132 I172 | P113-L164 CarbonylContact C-O 3.59Å; P113-L164 VanDerWaalsContact CA-O 3.23Å; P113-L164 WeakPolarHBondContact CA-O 2.96Å; P113-L164 WeakPolarHBondContact CB-O 3.38Å; V114-L164 HydrophobicContact CB-CB 4.35Å; V114-L164 PolarHBondContact N-O 2.82Å; V114-L164 PolarHBondContact O-N 3.22Å; V116-L164 HydrophobicContact CG2-CD1 3.67Å; V116-L164 HydrophobicContact CG2-CG 4.23Å; V130-L164 HydrophobicContact CG1-CD1 4.07Å; V130-L164 HydrophobicContact CG1-CD2 4.34Å; T132-L164 HydrophobicContact CG2-CB 3.88Å; T132-L164 HydrophobicContact CG2-CD1 3.89Å; T132-L164 HydrophobicContact CG2-CD2 4.41Å; T132-L164 HydrophobicContact CG2-CG 4.27Å; L164-I172 HydrophobicContact CD1-CG1 4.01Å; L164-I172 HydrophobicContact CD1-CG2 4.04Å |
| 165 | A | 88.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 146.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 166 | P | 87.6 | Confident | 87.6 | Confident | 61 Ų | 61 | 32.8 Ų | 32.8 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 162.4 | 168.9 | 27.1 | -33.7 | 0 | 0 | 0 | 111.5 | T110 | T110-P166 VanDerWaalsContact O-CB 3.26Å; T110-P166 WeakPolarHBondContact O-CB 3.11Å; T110-P166 WeakPolarHBondContact OG1-CA 3.36Å |
| 167 | G | 76.5 | Confident | 87.7 | Confident | 28 Ų | 28 | 34 Ų | 34 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.3 | -174.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | C109 T110 F170 | C109-G167 CarbonylContact C-O 3.58Å; C109-G167 WeakPolarHBondContact CA-O 2.93Å; T110-G167 PolarHBondContact N-O 3.08Å; T110-G167 PolarHBondContact O-N 3.06Å; T110-G167 PolarHBondContact OG1-N 3.47Å; G167-F170 WeakPolarHBondContact O-CE1 3.36Å |
| 168 | E | 73.7 | Confident | 87.9 | Confident | 114 Ų | 114 | 35 Ų | 35 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.5 | 175.8 | -59.3 | -169.4 | 145.9 | 0 | 0 | 110.5 | A108 C109 F170 | A108-E168 CarbonylContact O-C 3.52Å; A108-E168 WeakPolarHBondContact O-CA 3.48Å; C109-E168 HydrophobicContact CB-CG 4.39Å; E168-F170 PolarHBondContact O-N 3.32Å |
| 169 | F | 73.1 | Confident | 87.9 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 39.9 | 69.2 | 174.6 | -53.3 | -69.1 | 0 | 0 | 0 | 114.1 | I107 A108 E134 A135 F136 R346 | I107-F169 VanDerWaalsContact O-CA 3.29Å; I107-F169 WeakPolarHBondContact O-CA 3.31Å; I107-F169 PolarHBondContact O-N 3.11Å; A108-F169 HydrophobicContact CB-CD1 4.48Å; A108-F169 HydrophobicContact CB-CE1 3.98Å; A108-F169 PolarHBondContact O-N 3.21Å; E134-F169 CarbonylContact C-O 3.57Å; A135-F169 WeakPolarHBondContact CB-O 3.39Å; A135-F169 PolarHBondContact N-O 3.11Å; F136-F169 HydrophobicContact CE2-CB 4.24Å; F136-F169 AromaticContact CE2-CD1 3.9Å; F136-F169 HydrophobicContact CE2-CD1 3.9Å; F136-F169 HydrophobicContact CE2-CG 4.43Å; F169-R346 VanDerWaalsContact CZ-NH1 3.32Å |
| 170 | F | 81.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.9 | 177.9 | 63.7 | -84.6 | 0 | 0 | 0 | 112.3 | S106 I107 T110 V114 T132 R133 G167 E168 | S106-F170 CarbonylContact C-O 3.5Å; S106-F170 WeakPolarHBondContact CA-O 3.27Å; I107-F170 HydrophobicContact CB-CE1 4.26Å; I107-F170 HydrophobicContact CB-CE2 4.41Å; I107-F170 HydrophobicContact CB-CZ 4.1Å; I107-F170 HydrophobicContact CD1-CE2 4.03Å; I107-F170 HydrophobicContact CD1-CZ 4.11Å; I107-F170 HydrophobicContact CG2-CE1 4.46Å; I107-F170 HydrophobicContact CG2-CZ 4.38Å; I107-F170 PolarHBondContact N-O 3.2Å; I107-F170 PolarHBondContact O-N 2.78Å; T110-F170 HydrophobicContact CG2-CZ 4.4Å; V114-F170 HydrophobicContact CG2-CE2 4.23Å; V114-F170 HydrophobicContact CG2-CZ 3.78Å; T132-F170 HydrophobicContact CG2-CD2 3.81Å; T132-F170 HydrophobicContact CG2-CE2 4.08Å; R133-F170 CarbonylContact O-C 3.58Å; R133-F170 WeakPolarHBondContact O-CA 3.45Å; R133-F170 VanDerWaalsContact O-CB 3.28Å; R133-F170 WeakPolarHBondContact O-CB 3.48Å; G167-F170 WeakPolarHBondContact O-CE1 3.36Å; E168-F170 PolarHBondContact O-N 3.32Å |
| 171 | D | 89.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 153.3 | 164.2 | 63.8 | 7.2 | 0 | 0 | 0 | 111.3 | H103 S104 T132 R133 V173 | H103-D171 IonicContact CE1-OD2 2.61Å; H103-D171 IonicContact CG-OD2 2.76Å; H103-D171 IonicContact ND1-OD2 2.75Å; H103-D171 PolarHBondContact ND1-OD2 2.77Å; S104-D171 WeakPolarHBondContact O-CB 3.42Å; T132-D171 CarbonylContact C-O 3.59Å; T132-D171 WeakPolarHBondContact CA-O 3.4Å; R133-D171 VanDerWaalsContact CB-OD1 3.29Å; R133-D171 WeakPolarHBondContact CB-OD1 3.43Å; R133-D171 IonicContact CZ-OD1 3.61Å; R133-D171 IonicContact CZ-OD2 3.86Å; R133-D171 PolarHBondContact N-O 2.86Å; R133-D171 IonicContact NE-OD1 3.2Å; R133-D171 PolarHBondContact NE-OD1 2.76Å; R133-D171 IonicContact NE-OD2 2.64Å; R133-D171 PolarHBondContact NE-OD2 3.47Å; R133-D171 IonicContact NH2-OD1 3.73Å; R133-D171 IonicContact NH2-OD2 3.53Å; R133-D171 PolarHBondContact NH2-OD2 2.7Å; R133-D171 PolarHBondContact O-N 2.87Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.17Å |
| 172 | I | 95 | Very high | 83.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.1 | 170.4 | -61.1 | 165.4 | 0 | 0 | 0 | 106.5 | L45 W55 H103 S104 I107 V114 V116 V130 C131 L164 V193 | L45-I172 HydrophobicContact CD1-CD1 4.37Å; W55-I172 HydrophobicContact CH2-CB 4.07Å; W55-I172 HydrophobicContact CH2-CG2 3.84Å; W55-I172 HydrophobicContact CZ3-CG2 4.37Å; H103-I172 CarbonylContact C-O 3.34Å; H103-I172 VanDerWaalsContact CA-O 3.32Å; H103-I172 WeakPolarHBondContact CA-O 3.39Å; S104-I172 PolarHBondContact N-O 2.68Å; S104-I172 PolarHBondContact OG-N 3.5Å; I107-I172 HydrophobicContact CD1-CD1 4.05Å; V114-I172 HydrophobicContact CG1-CD1 4.1Å; V116-I172 HydrophobicContact CG1-CG2 4.5Å; V116-I172 HydrophobicContact CG2-CD1 3.87Å; V116-I172 HydrophobicContact CG2-CG2 4.07Å; V130-I172 HydrophobicContact CG1-CG2 3.63Å; C131-I172 WeakPolarHBondContact O-CA 3.27Å; L164-I172 HydrophobicContact CD1-CG1 4.01Å; L164-I172 HydrophobicContact CD1-CG2 4.04Å; I172-V193 HydrophobicContact CD1-CB 4.4Å; I172-V193 HydrophobicContact CD1-CG1 3.52Å; I172-V193 HydrophobicContact CD1-CG2 3.92Å |
| 173 | V | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.5 | -178.8 | -166 | 0 | 0 | 0 | 0 | 109.7 | Q101 F102 H103 V130 C131 R133 L145 D171 V175 | Q101-V173 HydrophobicContact CB-CG1 4.04Å; Q101-V173 HydrophobicContact CG-CG1 4.45Å; F102-V173 CarbonylContact O-C 3.09Å; F102-V173 WeakPolarHBondContact O-CA 3.1Å; H103-V173 HydrophobicContact CB-CG1 4.43Å; H103-V173 HydrophobicContact CB-CG2 4.06Å; V130-V173 WeakPolarHBondContact CA-O 3.41Å; C131-V173 PolarHBondContact N-O 3.26Å; C131-V173 PolarHBondContact O-N 3.25Å; R133-V173 HydrophobicContact CB-CG2 4.01Å; L145-V173 HydrophobicContact CD2-CB 3.91Å; L145-V173 HydrophobicContact CD2-CG1 4.02Å; L145-V173 HydrophobicContact CD2-CG2 3.96Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.17Å; V173-V175 HydrophobicContact CB-CG2 4.45Å; V173-V175 HydrophobicContact CG1-CG2 3.78Å |
| 174 | I | 94.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.3 | 171.4 | -56.7 | 171.9 | 0 | 0 | 0 | 107.5 | W55 W67 F102 L118 L128 Q129 V130 I188 I191 | W55-I174 HydrophobicContact CH2-CD1 3.86Å; W55-I174 HydrophobicContact CH2-CG1 4.28Å; W55-I174 HydrophobicContact CZ3-CD1 3.72Å; W55-I174 HydrophobicContact CZ3-CG1 3.95Å; W67-I174 HydrophobicContact CZ2-CG2 4.26Å; F102-I174 HydrophobicContact CB-CB 4.5Å; F102-I174 PolarHBondContact N-O 2.99Å; F102-I174 PolarHBondContact O-N 3.1Å; L118-I174 HydrophobicContact CD1-CD1 4.32Å; L128-I174 HydrophobicContact CD2-CG2 4.21Å; Q129-I174 WeakPolarHBondContact O-CA 3.44Å; V130-I174 HydrophobicContact CG2-CG1 4.36Å; I174-I188 HydrophobicContact CB-CD1 4.29Å; I174-I188 HydrophobicContact CD1-CD1 3.74Å; I174-I188 HydrophobicContact CG2-CD1 3.87Å; I174-I188 HydrophobicContact CG2-CG2 4.37Å; I174-I191 HydrophobicContact CD1-CD1 3.75Å; I174-I191 HydrophobicContact CD1-CG1 4.41Å |
| 175 | V | 91.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.5 | -173.4 | -175.3 | 0 | 0 | 0 | 0 | 110 | E99 A100 Q101 L128 Q129 L145 V173 Y177 | E99-V175 HydrophobicContact CG-CG1 3.6Å; E99-V175 WeakPolarHBondContact OE1-CG1 3.45Å; A100-V175 WeakPolarHBondContact O-CA 3.38Å; Q101-V175 HydrophobicContact CG-CG1 4.31Å; Q101-V175 HydrophobicContact CG-CG2 4.13Å; L128-V175 WeakPolarHBondContact CA-O 3.48Å; Q129-V175 HydrophobicContact CG-CB 3.79Å; Q129-V175 HydrophobicContact CG-CG2 4.44Å; Q129-V175 PolarHBondContact N-O 3.01Å; Q129-V175 PolarHBondContact O-N 3.32Å; L145-V175 HydrophobicContact CD1-CG2 3.82Å; V173-V175 HydrophobicContact CB-CG2 4.45Å; V173-V175 HydrophobicContact CG1-CG2 3.78Å; V175-Y177 HydrophobicContact CG1-CD1 4.46Å |
| 176 | A | 89.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I11 W67 A100 K127 L128 F179 A186 | I11-A176 HydrophobicContact CD1-CB 4.01Å; W67-A176 HydrophobicContact CH2-CB 3.98Å; W67-A176 HydrophobicContact CZ2-CB 3.65Å; A100-A176 HydrophobicContact CB-CB 4.32Å; A100-A176 PolarHBondContact N-O 2.84Å; A100-A176 PolarHBondContact O-N 2.76Å; K127-A176 WeakPolarHBondContact O-CA 3.43Å; L128-A176 HydrophobicContact CD2-CB 3.68Å; A176-F179 HydrophobicContact CB-CE2 3.98Å; A176-F179 HydrophobicContact CB-CZ 3.63Å; A176-F179 WeakPolarHBondContact O-CE2 3.18Å; A176-A186 HydrophobicContact CB-CB 3.7Å |
| 177 | Y | 86 | Confident | 79.1 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 177.2 | -175.8 | 73.4 | -79.7 | 0 | 0 | 0 | 112.1 | K127 Q129 E150 V175 | K127-Y177 HydrophobicContact CB-CD1 3.93Å; K127-Y177 HydrophobicContact CB-CD2 4.39Å; K127-Y177 HydrophobicContact CB-CE1 3.56Å; K127-Y177 HydrophobicContact CB-CE2 4.05Å; K127-Y177 HydrophobicContact CB-CG 4.34Å; K127-Y177 HydrophobicContact CD-CE1 4.37Å; K127-Y177 HydrophobicContact CD-CE2 3.64Å; K127-Y177 WeakPolarHBondContact CD-OH 3.45Å; K127-Y177 HydrophobicContact CG-CE2 4.48Å; K127-Y177 PolarHBondContact N-O 3.38Å; K127-Y177 PolarHBondContact O-N 3.47Å; Q129-Y177 HydrophobicContact CB-CE1 4.23Å; Q129-Y177 HydrophobicContact CG-CD1 4.28Å; Q129-Y177 HydrophobicContact CG-CE1 3.82Å; E150-Y177 PolarHBondContact OE2-OH 3.34Å; V175-Y177 HydrophobicContact CG1-CD1 4.46Å |
| 178 | N | 82.3 | Confident | 79.7 | Confident | 71 Ų | 71 | 36 Ų | 36 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | trans | 61.2 | 44.3 | -179.8 | -160.4 | 57 | 0 | 0 | 0 | 113.8 | G125 K127 V180 | G125-N178 CarbonylContact C-O 3.41Å; G125-N178 PolarHBondContact O-ND2 2.61Å; K127-N178 HydrophobicContact CB-CB 4.48Å; K127-N178 HydrophobicContact CD-CB 4.28Å; K127-N178 HydrophobicContact CG-CB 4.32Å; N178-V180 PolarHBondContact O-N 3.32Å; N178-V180 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 179 | F | 74.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | trans | -70.4 | 62 | 173 | -61.8 | -93.9 | 0 | 0 | 0 | 112.7 | I11 L65 D95 D98 V126 A176 G181 | I11-F179 HydrophobicContact CD1-CZ 4.07Å; L65-F179 HydrophobicContact CD1-CD2 4.39Å; L65-F179 HydrophobicContact CD1-CE2 4.32Å; D95-F179 WeakPolarHBondContact O-CD1 3.35Å; D98-F179 WeakPolarHBondContact O-CD2 3.43Å; D98-F179 WeakPolarHBondContact O-CE2 3.37Å; V126-F179 HydrophobicContact CG1-CD1 4.21Å; V126-F179 HydrophobicContact CG1-CE1 3.95Å; V126-F179 HydrophobicContact CG1-CZ 4.26Å; V126-F179 HydrophobicContact CG2-CB 4.34Å; V126-F179 HydrophobicContact CG2-CD1 3.53Å; V126-F179 HydrophobicContact CG2-CE1 4.07Å; V126-F179 HydrophobicContact CG2-CG 4Å; A176-F179 HydrophobicContact CB-CE2 3.98Å; A176-F179 HydrophobicContact CB-CZ 3.63Å; A176-F179 WeakPolarHBondContact O-CE2 3.18Å; F179-G181 PolarHBondContact O-N 3.03Å | ||
| 180 | V | 62.6 | Low | 81.4 | Confident | 105 Ų | 105 | 31.4 Ų | 31.4 | 64% | 0.636 | 17% | 0.17 | S | C | * | . | trans | -95 | 85.6 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | N178 | N178-V180 PolarHBondContact O-N 3.32Å; N178-V180 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 181 | G | 59.4 | Low | 82 | Confident | 48 Ų | 48 | 30.9 Ų | 30.9 | 50% | 0.495 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 163.5 | 167 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F179 M183 | F179-G181 PolarHBondContact O-N 3.03Å; G181-M183 PolarHBondContact O-N 3.18Å |
| 182 | Q | 58.4 | Low | 82.3 | Confident | 200 Ų | 200 | 34.4 Ų | 34.4 | 94% | 0.935 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12 | 177.6 | -70.9 | -175.9 | -17.1 | 0 | 0 | 113.8 | ||
| 183 | M | 65.5 | Low | 82.4 | Confident | 100 Ų | 100 | 34.5 Ų | 34.5 | 49% | 0.493 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 56.2 | -177.7 | -60 | 178.4 | 74 | 0 | 0 | 109.3 | I17 T123 G181 | I17-M183 HydrophobicContact CD1-CE 3.43Å; I17-M183 VanDerWaalsContact CD1-CE 3.43Å; I17-M183 HydrophobicContact CG1-CE 3.78Å; T123-M183 WeakPolarHBondContact CB-O 3.44Å; T123-M183 WeakPolarHBondContact CG2-O 3.26Å; T123-M183 PolarHBondContact OG1-O 3.05Å; G181-M183 PolarHBondContact O-N 3.18Å |
| 184 | G | 70.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -74.4 | 133.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T94 D95 T123 | T94-G184 CarbonylContact C-O 3.57Å; T94-G184 WeakPolarHBondContact CA-O 3.38Å; T94-G184 VanDerWaalsContact CB-O 3.28Å; T94-G184 WeakPolarHBondContact CB-O 3.35Å; D95-G184 PolarHBondContact N-O 3.2Å; T123-G184 WeakPolarHBondContact OG1-CA 3.41Å | ||
| 185 | A | 76 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -146.8 | 145.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F83 T94 T122 T123 V126 | F83-A185 HydrophobicContact CE1-CB 3.55Å; F83-A185 HydrophobicContact CE2-CB 4.31Å; F83-A185 HydrophobicContact CZ-CB 3.41Å; F83-A185 VanDerWaalsContact CZ-CB 3.41Å; T94-A185 HydrophobicContact CG2-CB 3.32Å; T122-A185 VanDerWaalsContact CA-O 3.3Å; T122-A185 WeakPolarHBondContact CA-O 3.4Å; T123-A185 HydrophobicContact CG2-CB 3.36Å; T123-A185 PolarHBondContact N-O 2.95Å; T123-A185 VanDerWaalsContact N-O 3.16Å; T123-A185 PolarHBondContact OG1-N 2.97Å; V126-A185 VanDerWaalsContact CB-O 3.3Å; V126-A185 WeakPolarHBondContact CB-O 3.35Å; V126-A185 WeakPolarHBondContact CG1-O 2.95Å | ||
| 186 | A | 82.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I10 W67 W121 T122 V126 L128 A176 | I10-A186 WeakPolarHBondContact CG2-O 3.27Å; W67-A186 HydrophobicContact CH2-CB 4.35Å; W121-A186 CarbonylContact O-C 3.55Å; W121-A186 WeakPolarHBondContact O-CA 3.09Å; T122-A186 HydrophobicContact CG2-CB 4.26Å; V126-A186 HydrophobicContact CG1-CB 3.92Å; L128-A186 HydrophobicContact CD1-CB 4.12Å; L128-A186 HydrophobicContact CD2-CB 3.92Å; L128-A186 HydrophobicContact CG-CB 3.99Å; A176-A186 HydrophobicContact CB-CB 3.7Å |
| 187 | A | 85.9 | Confident | 82 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V8 I10 H120 W121 | V8-A187 HydrophobicContact CG1-CB 4.46Å; I10-A187 VanDerWaalsContact CG2-CA 3.42Å; I10-A187 HydrophobicContact CG2-CB 3.22Å; H120-A187 CarbonylContact C-O 3.59Å; H120-A187 VanDerWaalsContact CA-O 3.23Å; H120-A187 WeakPolarHBondContact CA-O 3.14Å; W121-A187 HydrophobicContact CB-CB 4.3Å; W121-A187 HydrophobicContact CE3-CB 4.24Å; W121-A187 PolarHBondContact N-O 3.49Å; W121-A187 PolarHBondContact O-N 2.88Å |
| 188 | I | 89.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.3 | 177.7 | 65.4 | 176.9 | 0 | 0 | 0 | 112.5 | V8 L9 F49 W67 F102 L118 R119 H120 L128 I174 I191 | V8-I188 WeakPolarHBondContact CG1-O 3.29Å; L9-I188 HydrophobicContact CB-CD1 4.48Å; L9-I188 HydrophobicContact CB-CG1 3.9Å; L9-I188 HydrophobicContact CD2-CD1 3.69Å; L9-I188 HydrophobicContact CD2-CG1 3.99Å; L9-I188 PolarHBondContact N-O 3.41Å; L9-I188 PolarHBondContact O-N 3.32Å; F49-I188 VanDerWaalsContact CE2-O 3.26Å; F49-I188 WeakPolarHBondContact CE2-O 3.45Å; F49-I188 HydrophobicContact CZ-CG1 4.22Å; W67-I188 HydrophobicContact CH2-CD1 3.98Å; W67-I188 HydrophobicContact CH2-CG1 4.13Å; W67-I188 HydrophobicContact CH2-CG2 3.94Å; W67-I188 HydrophobicContact CZ2-CD1 4.44Å; W67-I188 HydrophobicContact CZ3-CD1 4.15Å; W67-I188 HydrophobicContact CZ3-CG1 3.93Å; W67-I188 HydrophobicContact CZ3-CG2 4.32Å; F102-I188 HydrophobicContact CD1-CD1 4.24Å; L118-I188 HydrophobicContact CD1-CB 3.9Å; L118-I188 HydrophobicContact CD1-CG2 3.64Å; R119-I188 CarbonylContact O-C 3.57Å; R119-I188 VanDerWaalsContact O-CA 3.32Å; R119-I188 WeakPolarHBondContact O-CA 3.28Å; H120-I188 HydrophobicContact CB-CG2 4.3Å; L128-I188 HydrophobicContact CD1-CG2 3.9Å; L128-I188 HydrophobicContact CD2-CG2 4.32Å; I174-I188 HydrophobicContact CB-CD1 4.29Å; I174-I188 HydrophobicContact CD1-CD1 3.74Å; I174-I188 HydrophobicContact CG2-CD1 3.87Å; I174-I188 HydrophobicContact CG2-CG2 4.37Å; I188-I191 HydrophobicContact CD1-CD1 4.03Å |
| 189 | D | 89.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 164.4 | -175.6 | -154.8 | -7.5 | 0 | 0 | 0 | 110.9 | V8 S90 R119 W121 I191 | V8-D189 HydrophobicContact CG1-CB 4.13Å; V8-D189 HydrophobicContact CG2-CB 4.17Å; V8-D189 WeakPolarHBondContact CG2-OD2 3.18Å; S90-D189 WeakPolarHBondContact CB-OD2 3.22Å; S90-D189 PolarHBondContact N-OD2 2.87Å; S90-D189 PolarHBondContact OG-OD2 2.94Å; R119-D189 HydrophobicContact CB-CB 4.29Å; R119-D189 PolarHBondContact N-O 2.85Å; R119-D189 PolarHBondContact O-N 3.09Å; W121-D189 HydrophobicContact CH2-CB 3.89Å; W121-D189 HydrophobicContact CZ3-CB 3.62Å; D189-I191 PolarHBondContact O-N 2.99Å |
| 190 | D | 92 | Very high | 79.4 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 49.3 | 176.7 | -65.6 | -60.6 | 0 | 0 | 0 | 114.8 | C47 R119 Q192 | C47-D190 CarbonylContact O-C 3.6Å; R119-D190 VanDerWaalsContact CD-OD2 3.27Å; R119-D190 WeakPolarHBondContact CD-OD2 3.26Å; R119-D190 HydrophobicContact CG-CB 4.31Å; R119-D190 IonicContact CZ-OD2 3.28Å; R119-D190 VanDerWaalsContact CZ-OD2 3.28Å; R119-D190 IonicContact NE-OD2 3.5Å; R119-D190 IonicContact NH1-OD2 2.62Å; R119-D190 PolarHBondContact NH1-OD2 3.46Å; D190-Q192 PolarHBondContact O-N 3.22Å |
| 191 | I | 94.9 | Very high | 78.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.8 | 178.4 | -53.6 | 172.9 | 0 | 0 | 0 | 109.9 | R46 C47 F49 W55 F102 L118 I174 I188 D189 V193 | R46-I191 CarbonylContact C-O 3.58Å; R46-I191 WeakPolarHBondContact CA-O 2.97Å; C47-I191 HydrophobicContact CB-CB 4.2Å; C47-I191 HydrophobicContact CB-CD1 4.43Å; C47-I191 PolarHBondContact N-O 2.92Å; C47-I191 PolarHBondContact O-N 2.04Å; F49-I191 HydrophobicContact CE2-CD1 4.22Å; F49-I191 HydrophobicContact CE2-CG1 4.43Å; F49-I191 HydrophobicContact CZ-CD1 3.64Å; F49-I191 HydrophobicContact CZ-CG1 4.33Å; W55-I191 HydrophobicContact CH2-CG2 4.11Å; W55-I191 HydrophobicContact CZ2-CD1 4.4Å; W55-I191 HydrophobicContact CZ2-CG2 3.56Å; F102-I191 HydrophobicContact CE1-CD1 4.3Å; L118-I191 HydrophobicContact CB-CG1 4.2Å; I174-I191 HydrophobicContact CD1-CD1 3.75Å; I174-I191 HydrophobicContact CD1-CG1 4.41Å; I188-I191 HydrophobicContact CD1-CD1 4.03Å; D189-I191 PolarHBondContact O-N 2.99Å; I191-V193 HydrophobicContact CG2-CG2 4.34Å |
| 192 | Q | 96.3 | Very high | 76.8 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.6 | 175.1 | -62.9 | 180 | 55.7 | 0 | 0 | 109 | S117 D190 | S117-Q192 PolarHBondContact N-O 3.3Å; S117-Q192 PolarHBondContact O-N 2.96Å; D190-Q192 PolarHBondContact O-N 3.22Å |
| 193 | V | 96.8 | Very high | 75.6 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 108 | P42 L45 W55 I107 V114 K115 V116 I172 I191 F195 | P42-V193 WeakPolarHBondContact CB-O 2.98Å; L45-V193 HydrophobicContact CB-CB 3.92Å; L45-V193 HydrophobicContact CB-CG2 3.83Å; L45-V193 HydrophobicContact CD1-CB 4.21Å; L45-V193 HydrophobicContact CD1-CG1 4.04Å; L45-V193 HydrophobicContact CD1-CG2 4.31Å; W55-V193 HydrophobicContact CZ2-CG2 4.05Å; I107-V193 HydrophobicContact CD1-CG1 4.48Å; V114-V193 HydrophobicContact CG1-CG1 3.5Å; V114-V193 VanDerWaalsContact CG1-CG1 3.5Å; K115-V193 CarbonylContact O-C 3.56Å; K115-V193 WeakPolarHBondContact O-CA 3.38Å; V116-V193 HydrophobicContact CG2-CG1 4.45Å; I172-V193 HydrophobicContact CD1-CB 4.4Å; I172-V193 HydrophobicContact CD1-CG1 3.52Å; I172-V193 HydrophobicContact CD1-CG2 3.92Å; I191-V193 HydrophobicContact CG2-CG2 4.34Å; V193-F195 HydrophobicContact CG1-CD1 4.04Å |
| 194 | E | 96.9 | Very high | 73.9 | Confident | 118 Ų | 118 | 53.4 Ų | 53.4 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.9 | 173.9 | -57.1 | -176.5 | 153.5 | 0 | 0 | 109.2 | K115 | K115-E194 HydrophobicContact CB-CB 4.26Å; K115-E194 PolarHBondContact N-O 2.66Å; K115-E194 PolarHBondContact O-N 3.13Å |
| 195 | F | 92.8 | Very high | 72.2 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | trans | -153.5 | 153.3 | 175 | 69.4 | -85.3 | 0 | 0 | 0 | 111.2 | V39 G41 P42 L45 I107 T110 V114 V193 P197 | V39-F195 HydrophobicContact CG2-CE1 4.12Å; V39-F195 HydrophobicContact CG2-CZ 3.66Å; G41-F195 VanDerWaalsContact C-CZ 3.42Å; P42-F195 HydrophobicContact CG-CD1 3.98Å; P42-F195 HydrophobicContact CG-CE1 4.15Å; P42-F195 HydrophobicContact CG-CG 4.44Å; P42-F195 VanDerWaalsContact CG-O 3.27Å; P42-F195 WeakPolarHBondContact CG-O 3.49Å; L45-F195 HydrophobicContact CD1-CE1 4.03Å; I107-F195 HydrophobicContact CD1-CD1 3.9Å; I107-F195 HydrophobicContact CD1-CD2 4.47Å; I107-F195 HydrophobicContact CD1-CE1 3.99Å; I107-F195 HydrophobicContact CD1-CG 4.14Å; I107-F195 HydrophobicContact CD1-CZ 4.32Å; I107-F195 HydrophobicContact CG1-CE1 4.2Å; I107-F195 HydrophobicContact CG1-CE2 4.44Å; I107-F195 HydrophobicContact CG1-CZ 4.13Å; I107-F195 HydrophobicContact CG2-CD2 3.88Å; I107-F195 HydrophobicContact CG2-CE2 3.6Å; I107-F195 HydrophobicContact CG2-CZ 4.1Å; T110-F195 HydrophobicContact CG2-CB 3.99Å; T110-F195 HydrophobicContact CG2-CD2 3.65Å; T110-F195 HydrophobicContact CG2-CG 4.17Å; V114-F195 HydrophobicContact CB-CB 4.37Å; V114-F195 HydrophobicContact CG1-CB 4.15Å; V114-F195 HydrophobicContact CG2-CB 3.76Å; V193-F195 HydrophobicContact CG1-CD1 4.04Å; F195-P197 HydrophobicContact CD2-CG 4.1Å; F195-P197 HydrophobicContact CE2-CB 4.26Å; F195-P197 HydrophobicContact CE2-CG 3.73Å | ||
| 196 | T | 90.2 | Very high | 70 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | trans | -97.7 | 112.3 | 169.9 | -54.7 | 0 | 0 | 0 | 0 | 108.2 | E112 | E112-T196 VanDerWaalsContact OE2-CB 3.26Å; E112-T196 WeakPolarHBondContact OE2-CB 3.22Å; E112-T196 PolarHBondContact OE2-OG1 3.1Å | ||
| 197 | P | 78.3 | Confident | 67.6 | Low | 45 Ų | 45 | 72 Ų | 72 | 29% | 0.292 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 140.3 | 171.5 | -14.9 | 26.5 | 0 | 0 | 0 | 110.2 | F195 Q199 | F195-P197 HydrophobicContact CD2-CG 4.1Å; F195-P197 HydrophobicContact CE2-CB 4.26Å; F195-P197 HydrophobicContact CE2-CG 3.73Å; P197-Q199 PolarHBondContact O-N 2.96Å |
| 198 | C | 75.6 | Confident | 65.3 | Low | 26 Ų | 26 | 80.2 Ų | 80.2 | 18% | 0.176 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 134.4 | 172.7 | -60 | 0 | 0 | 0 | 0 | 110.5 | C109 T110 V200 | C109-C198 HydrophobicContact CB-CB 3.66Å; C109-C198 WeakPolarHBondContact CB-SG 3.28Å; C109-C198 PolarHBondContact O-N 2.75Å; C109-C198 PolarHBondContact O-SG 2.88Å; C109-C198 WeakPolarHBondContact SG-CB 3.47Å; C109-C198 CovalentContact SG-SG 2.03Å; C109-C198 PolarHBondContact SG-SG 2.83Å; T110-C198 VanDerWaalsContact C-SG 3.59Å; T110-C198 VanDerWaalsContact CA-SG 3.54Å; T110-C198 PolarHBondContact N-SG 2.8Å; C198-V200 PolarHBondContact O-N 3.19Å |
| 199 | Q | 63.1 | Low | 62.6 | Low | 157 Ų | 157 | 85.1 Ų | 85.1 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 120.5 | 178.3 | -65.2 | -62.5 | -81.7 | 0 | 0 | 108.9 | P197 T201 | P197-Q199 PolarHBondContact O-N 2.96Å; Q199-T201 PolarHBondContact O-N 2.95Å |
| 200 | V | 49.9 | Very low | 60.2 | Low | 81 Ų | 81 | 91.6 Ų | 91.6 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | trans | -66.8 | 109.7 | 163.9 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | C198 T202 | C198-V200 PolarHBondContact O-N 3.19Å; V200-T202 PolarHBondContact O-N 3.32Å | ||
| 201 | T | 36.1 | Very low | 57.7 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | trans | -64.8 | 83.7 | 166.4 | 24.6 | 0 | 0 | 0 | 0 | 108.6 | Q199 E203 | Q199-T201 PolarHBondContact O-N 2.95Å; T201-E203 PolarHBondContact O-N 3.09Å | ||
| 202 | T | 32.5 | Very low | 55.2 | Low | 101 Ų | 101 | 103.6 Ų | 103.6 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | trans | -65.9 | 86.1 | 166.2 | -47 | 0 | 0 | 0 | 0 | 107.9 | V200 A204 E205 | V200-T202 PolarHBondContact O-N 3.32Å; T202-A204 PolarHBondContact O-N 2.75Å; T202-E205 HydrophobicContact CG2-CG 4.48Å | ||
| 203 | E | 32 | Very low | 52.8 | Low | 183 Ų | 183 | 102.5 Ų | 102.5 | 86% | 0.855 | 59% | 0.59 | S | S | * | * | trans | -50.9 | 129.1 | 151.7 | -82.2 | -159.3 | 136.2 | 0 | 0 | 106.6 | T201 E205 | T201-E203 PolarHBondContact O-N 3.09Å; E203-E205 PolarHBondContact O-N 2.95Å | ||
| 204 | A | 30.3 | Very low | 50.3 | Low | 92 Ų | 92 | 108 Ų | 108 | 76% | 0.76 | 63% | 0.626 | S | S | * | * | trans | -55.6 | 111.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T202 T206 | T202-A204 PolarHBondContact O-N 2.75Å; A204-T206 PolarHBondContact O-N 2.78Å | ||
| 205 | E | 34.3 | Very low | 47.7 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | trans | -52.6 | 113 | 170.2 | -71.6 | -175.3 | 143.2 | 0 | 0 | 107.4 | T202 E203 T207 | T202-E205 HydrophobicContact CG2-CG 4.48Å; E203-E205 PolarHBondContact O-N 2.95Å; E205-T207 PolarHBondContact O-N 2.75Å; E205-T207 PolarHBondContact O-OG1 3.11Å | ||
| 206 | T | 30.8 | Very low | 45.6 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | trans | -68.8 | 84.5 | 160.5 | -14.3 | 0 | 0 | 0 | 0 | 105.5 | A204 E208 | A204-T206 PolarHBondContact O-N 2.78Å; T206-E208 PolarHBondContact O-N 3.4Å | ||
| 207 | T | 31.2 | Very low | 43.2 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 68% | 0.681 | 69% | 0.686 | S | S | * | * | trans | -67.9 | 77.1 | 177 | -41.3 | 0 | 0 | 0 | 0 | 108.5 | E205 S209 | E205-T207 PolarHBondContact O-N 2.75Å; E205-T207 PolarHBondContact O-OG1 3.11Å; T207-S209 VanDerWaalsContact C-N 3.28Å; T207-S209 PolarHBondContact O-N 2.89Å | ||
| 208 | E | 38.2 | Very low | 41.6 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -63.1 | 101.2 | 156.4 | -78.3 | -161.7 | 141.6 | 0 | 0 | 106.5 | T206 V210 | T206-E208 PolarHBondContact O-N 3.4Å; E208-V210 VanDerWaalsContact C-N 3.35Å; E208-V210 PolarHBondContact O-N 2.65Å | ||
| 209 | S | 32.7 | Very low | 40.2 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -59.5 | 97.8 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | T207 E211 | T207-S209 VanDerWaalsContact C-N 3.28Å; T207-S209 PolarHBondContact O-N 2.89Å; S209-E211 PolarHBondContact O-N 2.76Å | ||
| 210 | V | 40.2 | Very low | 39 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | -66 | 97.8 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | E208 | E208-V210 VanDerWaalsContact C-N 3.35Å; E208-V210 PolarHBondContact O-N 2.65Å | ||
| 211 | E | 39.6 | Very low | 39.4 | Very low | 169 Ų | 169 | 120.1 Ų | 120.1 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -57.5 | 143.4 | 163.2 | -81 | -166.2 | 130.1 | 0 | 0 | 109 | S209 G213 | S209-E211 PolarHBondContact O-N 2.76Å; E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 2.81Å | ||
| 212 | P | 40.8 | Very low | 41.5 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -66.9 | 94.1 | 172.9 | 28.4 | -33.2 | 0 | 0 | 0 | 109.3 | ||||
| 213 | G | 47.1 | Very low | 44.1 | Very low | 61 Ų | 61 | 116.5 Ų | 116.5 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | -59 | 146.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E211 | E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 2.81Å | ||
| 214 | P | 43.4 | Very low | 46.8 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -64.5 | 148 | -177.2 | 28.4 | -35.4 | 0 | 0 | 0 | 111.5 | T216 | P214-T216 PolarHBondContact O-N 3.38Š| ||
| 215 | E | 42.6 | Very low | 49.6 | Very low | 201 Ų | 201 | 106.8 Ų | 106.8 | 94% | 0.939 | 65% | 0.645 | S | S | * | * | trans | -53.3 | 107.8 | 177.5 | -64.2 | 175.1 | 161.5 | 0 | 0 | 111.3 | ||||
| 216 | T | 49.3 | Very low | 52.4 | Low | 100 Ų | 100 | 103.2 Ų | 103.2 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 138.7 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | P214 L396 | P214-T216 PolarHBondContact O-N 3.38Å; T216-L396 HydrophobicContact CG2-CD2 4.35Å |
| 217 | P | 39.9 | Very low | 55.5 | Low | 113 Ų | 113 | 96.7 Ų | 96.7 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.8 | -177.3 | -21 | 33.1 | 0 | 0 | 0 | 113.9 | ||
| 218 | A | 43.5 | Very low | 58.6 | Low | 91 Ų | 91 | 93.4 Ų | 93.4 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 219 | P | 46.4 | Very low | 61.3 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 137.5 | -167.8 | 30.5 | -35.9 | 0 | 0 | 0 | 113.7 | C224 C398 | P219-C224 HydrophobicContact CB-CB 3.41Å; P219-C224 VanDerWaalsContact CB-CB 3.41Å; P219-C224 HydrophobicContact CG-CB 3.62Å; P219-C398 HydrophobicContact CB-CB 3.75Å; P219-C398 HydrophobicContact CG-CB 4.35Å |
| 220 | T | 37.6 | Very low | 64.3 | Low | 149 Ų | 149 | 84.1 Ų | 84.1 | 91% | 0.914 | 52% | 0.515 | S | S | * | . | trans | -103.5 | 86.6 | 173 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | G | 59.9 | Low | 66.8 | Low | 38 Ų | 38 | 77.6 Ų | 77.6 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 177 | 148.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 222 | D | 80.1 | Confident | 69.4 | Low | 103 Ų | 103 | 72.6 Ų | 72.6 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 179.5 | -165.3 | 30 | 0 | 0 | 0 | 110.5 | C224 S225 K226 | D222-C224 VanDerWaalsContact C-N 3.27Å; D222-C224 PolarHBondContact O-N 2.75Å; D222-C224 VanDerWaalsContact O-N 3.16Å; D222-S225 PolarHBondContact O-N 3.42Å; D222-S225 PolarHBondContact O-OG 3.47Å; D222-S225 PolarHBondContact OD1-OG 2.85Å; D222-K226 WeakPolarHBondContact O-CG 3.13Å; D222-K226 PolarHBondContact O-N 3.2Å; D222-K226 WeakPolarHBondContact OD1-CE 3.16Å; D222-K226 IonicContact OD1-NZ 4Å |
| 223 | E | 86.2 | Confident | 71.4 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 10% | 0.103 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -50.7 | -43.9 | -179.7 | 65.5 | -178.2 | -168.9 | 0 | 0 | 113.2 | K226 L227 S301 L303 R307 | E223-K226 PolarHBondContact O-N 3.25Å; E223-L227 WeakPolarHBondContact O-CB 3.17Å; E223-L227 WeakPolarHBondContact O-CG 3.45Å; E223-L227 PolarHBondContact O-N 3.34Å; E223-S301 WeakPolarHBondContact CA-OG 3.34Å; E223-L303 HydrophobicContact CB-CD2 3.87Å; E223-L303 VanDerWaalsContact OE2-CD2 3.3Å; E223-L303 WeakPolarHBondContact OE2-CD2 3.38Å; E223-R307 IonicContact OE1-CZ 3.67Å; E223-R307 IonicContact OE1-NE 2.7Å; E223-R307 PolarHBondContact OE1-NE 2.85Å; E223-R307 VanDerWaalsContact OE1-NE 3.12Å; E223-R307 IonicContact OE1-NH2 3.31Å; E223-R307 PolarHBondContact OE1-NH2 2.93Å; E223-R307 VanDerWaalsContact OE1-NH2 3.15Å; E223-R307 IonicContact OE2-NE 3.48Å |
| 224 | C | 88.5 | Confident | 73.5 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 5% | 0.054 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 179.1 | -57.1 | 0 | 0 | 0 | 0 | 113 | P219 D222 K226 V228 C398 | P219-C224 HydrophobicContact CB-CB 3.41Å; P219-C224 VanDerWaalsContact CB-CB 3.41Å; P219-C224 HydrophobicContact CG-CB 3.62Å; D222-C224 VanDerWaalsContact C-N 3.27Å; D222-C224 PolarHBondContact O-N 2.75Å; D222-C224 VanDerWaalsContact O-N 3.16Å; C224-K226 PolarHBondContact O-N 3.07Å; C224-V228 HydrophobicContact CB-CG2 4.36Å; C224-V228 WeakPolarHBondContact O-CB 3.4Å; C224-V228 WeakPolarHBondContact O-CG2 3.49Å; C224-V228 PolarHBondContact O-N 3.17Å; C224-V228 VanDerWaalsContact O-N 3.11Å; C224-C398 WeakPolarHBondContact CA-SG 3.47Å; C224-C398 HydrophobicContact CB-CB 3.58Å; C224-C398 WeakPolarHBondContact CB-SG 3.43Å; C224-C398 WeakPolarHBondContact SG-CB 3.26Å; C224-C398 CovalentContact SG-SG 2.03Å; C224-C398 PolarHBondContact SG-SG 3.16Å |
| 225 | S | 89.8 | Confident | 75.9 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.5 | -19.5 | 177.9 | 79.2 | 0 | 0 | 0 | 0 | 113.3 | D222 S237 | D222-S225 PolarHBondContact O-N 3.42Å; D222-S225 PolarHBondContact O-OG 3.47Å; D222-S225 PolarHBondContact OD1-OG 2.85Å; S225-S237 WeakPolarHBondContact O-CB 3.17Å; S225-S237 PolarHBondContact O-OG 3.34Å |
| 226 | K | 93 | Very high | 78.3 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 30% | 0.3 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -92.2 | -35.7 | 178.5 | -59.8 | -56.1 | 174.5 | -170 | 0 | 113.5 | D222 E223 C224 S237 A299 D300 | D222-K226 WeakPolarHBondContact O-CG 3.13Å; D222-K226 PolarHBondContact O-N 3.2Å; D222-K226 WeakPolarHBondContact OD1-CE 3.16Å; D222-K226 IonicContact OD1-NZ 4Å; E223-K226 PolarHBondContact O-N 3.25Å; C224-K226 PolarHBondContact O-N 3.07Å; K226-S237 WeakPolarHBondContact O-CB 3.39Å; K226-A299 VanDerWaalsContact O-CB 3.31Å; K226-A299 WeakPolarHBondContact O-CB 3.45Å; K226-D300 WeakPolarHBondContact CG-O 3.44Å |
| 227 | L | 94.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -111.3 | -26.7 | -165.6 | -61.3 | 177.8 | 0 | 0 | 0 | 114.9 | E223 Y238 A299 L303 I309 V362 V381 V383 | E223-L227 WeakPolarHBondContact O-CB 3.17Å; E223-L227 WeakPolarHBondContact O-CG 3.45Å; E223-L227 PolarHBondContact O-N 3.34Å; L227-Y238 WeakPolarHBondContact O-CE2 3.48Å; L227-Y238 PolarHBondContact O-OH 3.32Å; L227-A299 HydrophobicContact CD2-CB 4.3Å; L227-L303 HydrophobicContact CD1-CD2 3.67Å; L227-I309 HydrophobicContact CD1-CD1 3.93Å; L227-I309 HydrophobicContact CD2-CD1 4.38Å; L227-V362 HydrophobicContact CD2-CB 3.89Å; L227-V362 HydrophobicContact CD2-CG1 4.4Å; L227-V362 HydrophobicContact CD2-CG2 3.59Å; L227-V381 VanDerWaalsContact O-CG1 3.29Å; L227-V381 WeakPolarHBondContact O-CG1 3.39Å; L227-V383 HydrophobicContact CB-CG2 3.87Å; L227-V383 HydrophobicContact CD1-CG2 4.34Å |
| 228 | V | 96.1 | Very high | 83.1 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | trans | -78.1 | 130.4 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | C224 V381 V383 C398 | C224-V228 HydrophobicContact CB-CG2 4.36Å; C224-V228 WeakPolarHBondContact O-CB 3.4Å; C224-V228 WeakPolarHBondContact O-CG2 3.49Å; C224-V228 PolarHBondContact O-N 3.17Å; C224-V228 VanDerWaalsContact O-N 3.11Å; V228-V381 VanDerWaalsContact CA-O 3.3Å; V228-V381 WeakPolarHBondContact CA-O 3.05Å; V228-V383 HydrophobicContact CG2-CG2 4.19Å; V228-C398 HydrophobicContact CG2-CB 3.84Å; V228-C398 WeakPolarHBondContact CG2-O 3.4Å; V228-C398 WeakPolarHBondContact CG2-OXT 3.47Å | ||
| 229 | C | 96.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -156.7 | 128.7 | 174.3 | -160.3 | 0 | 0 | 0 | 0 | 113.2 | F231 F235 C236 Y238 V381 | C229-F231 HydrophobicContact CB-CD1 4.43Å; C229-F231 HydrophobicContact CB-CE1 4.09Å; C229-F231 HydrophobicContact CB-CE2 4.45Å; C229-F231 HydrophobicContact CB-CZ 4.11Å; C229-F231 WeakPolarHBondContact SG-CD1 3.02Å; C229-F231 VanDerWaalsContact SG-CE1 3.57Å; C229-F235 VanDerWaalsContact SG-C 3.57Å; C229-C236 WeakPolarHBondContact CA-SG 3.49Å; C229-C236 HydrophobicContact CB-CB 3.7Å; C229-C236 WeakPolarHBondContact CB-SG 3.03Å; C229-C236 WeakPolarHBondContact SG-CB 3.45Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 3.34Å; C229-Y238 HydrophobicContact CB-CD2 4.06Å; C229-Y238 HydrophobicContact CB-CE2 4.01Å; C229-V381 PolarHBondContact N-O 2.96Å; C229-V381 PolarHBondContact O-N 3.18Å |
| 230 | D | 94.6 | Very high | 87.4 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -93.8 | -5.8 | 172.3 | 56.4 | 13.7 | 0 | 0 | 0 | 112.9 | E232 | D230-E232 HydrophobicContact CB-CG 4.2Å; D230-E232 PolarHBondContact O-N 2.88Å; D230-E232 VanDerWaalsContact O-N 3.14Å; D230-E232 PolarHBondContact OD1-N 3.1Å; D230-E232 VanDerWaalsContact OD1-N 3.09Å | ||
| 231 | F | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 54.4 | 24.1 | -175.1 | -54.1 | -72.9 | 0 | 0 | 0 | 116 | C229 G233 N234 F235 Y283 A285 L297 L378 V381 | C229-F231 HydrophobicContact CB-CD1 4.43Å; C229-F231 HydrophobicContact CB-CE1 4.09Å; C229-F231 HydrophobicContact CB-CE2 4.45Å; C229-F231 HydrophobicContact CB-CZ 4.11Å; C229-F231 WeakPolarHBondContact SG-CD1 3.02Å; C229-F231 VanDerWaalsContact SG-CE1 3.57Å; F231-G233 VanDerWaalsContact C-N 3.28Å; F231-G233 PolarHBondContact O-N 3.12Å; F231-N234 CarbonylContact C-O 3.55Å; F231-N234 VanDerWaalsContact CA-O 3.27Å; F231-N234 WeakPolarHBondContact CA-O 3.29Å; F231-F235 AromaticContact CD1-CD1 3.84Å; F231-F235 HydrophobicContact CD1-CD1 3.84Å; F231-F235 HydrophobicContact CD1-CE1 4.37Å; F231-F235 AromaticContact CE1-CD1 3.93Å; F231-F235 HydrophobicContact CE1-CD1 3.93Å; F231-Y283 VanDerWaalsContact O-CB 3.24Å; F231-Y283 WeakPolarHBondContact O-CB 3.44Å; F231-A285 HydrophobicContact CB-CB 4.41Å; F231-A285 HydrophobicContact CD1-CB 3.71Å; F231-A285 HydrophobicContact CD2-CB 3.96Å; F231-A285 HydrophobicContact CE1-CB 3.9Å; F231-A285 HydrophobicContact CE2-CB 4.1Å; F231-A285 HydrophobicContact CG-CB 3.75Å; F231-A285 HydrophobicContact CZ-CB 4.08Å; F231-L297 HydrophobicContact CE1-CD2 3.83Å; F231-L297 HydrophobicContact CZ-CD2 3.98Å; F231-L378 HydrophobicContact CE2-CD2 4.07Å; F231-L378 HydrophobicContact CE2-CG 4.02Å; F231-L378 HydrophobicContact CZ-CD2 3.86Å; F231-L378 HydrophobicContact CZ-CG 4.33Å; F231-V381 HydrophobicContact CE2-CG2 3.82Å; F231-V381 HydrophobicContact CZ-CG2 3.96Å | ||
| 232 | E | 93.1 | Very high | 89 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -66.8 | 82.3 | -179.9 | -76.9 | -65.3 | 124.6 | 0 | 0 | 111.8 | D230 N234 T282 Y283 | D230-E232 HydrophobicContact CB-CG 4.2Å; D230-E232 PolarHBondContact O-N 2.88Å; D230-E232 VanDerWaalsContact O-N 3.14Å; D230-E232 PolarHBondContact OD1-N 3.1Å; D230-E232 VanDerWaalsContact OD1-N 3.09Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.83Å; E232-N234 PolarHBondContact O-ND2 2.03Å; E232-T282 PolarHBondContact OE1-N 2.97Å; E232-Y283 PolarHBondContact OE1-N 3.49Å |
| 233 | G | 83.7 | Confident | 87.7 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 73 | 4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | F231 | F231-G233 VanDerWaalsContact C-N 3.28Å; F231-G233 PolarHBondContact O-N 3.12Å |
| 234 | N | 91.5 | Very high | 85.7 | Confident | 80 Ų | 80 | 44.1 Ų | 44.1 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -154 | 171.1 | -177.8 | 75.9 | 98.4 | 0 | 0 | 0 | 112.7 | F231 E232 C236 | F231-N234 CarbonylContact C-O 3.55Å; F231-N234 VanDerWaalsContact CA-O 3.27Å; F231-N234 WeakPolarHBondContact CA-O 3.29Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.83Å; E232-N234 PolarHBondContact O-ND2 2.03Å; N234-C236 WeakPolarHBondContact OD1-CA 3.29Å; N234-C236 PolarHBondContact OD1-N 3.01Å |
| 235 | F | 93 | Very high | 83.3 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 20% | 0.197 | 29% | 0.288 | C | S | . | . | trans | -96.2 | 9.7 | -179.9 | -74.5 | -67 | 0 | 0 | 0 | 114.9 | C229 F231 S237 Y238 W261 T263 A285 L297 | C229-F235 VanDerWaalsContact SG-C 3.57Å; F231-F235 AromaticContact CD1-CD1 3.84Å; F231-F235 HydrophobicContact CD1-CD1 3.84Å; F231-F235 HydrophobicContact CD1-CE1 4.37Å; F231-F235 AromaticContact CE1-CD1 3.93Å; F231-F235 HydrophobicContact CE1-CD1 3.93Å; F235-S237 PolarHBondContact O-N 3.29Å; F235-Y238 WeakPolarHBondContact CB-O 3.46Å; F235-Y238 WeakPolarHBondContact O-CA 3.43Å; F235-Y238 VanDerWaalsContact O-CB 3.3Å; F235-Y238 WeakPolarHBondContact O-CB 3.05Å; F235-Y238 PolarHBondContact O-N 2.91Å; F235-W261 HydrophobicContact CE1-CB 3.95Å; F235-W261 VanDerWaalsContact CZ-C 3.47Å; F235-W261 HydrophobicContact CZ-CB 3.98Å; F235-W261 VanDerWaalsContact CZ-O 3.27Å; F235-W261 WeakPolarHBondContact CZ-O 3.42Å; F235-T263 HydrophobicContact CD1-CG2 4.2Å; F235-T263 HydrophobicContact CD2-CG2 4.21Å; F235-T263 HydrophobicContact CE1-CG2 3.96Å; F235-T263 HydrophobicContact CE2-CG2 3.98Å; F235-T263 HydrophobicContact CG-CG2 4.3Å; F235-T263 HydrophobicContact CZ-CG2 3.83Å; F235-A285 HydrophobicContact CE1-CB 3.91Å; F235-L297 HydrophobicContact CD1-CD1 3.78Å; F235-L297 HydrophobicContact CD1-CD2 4.24Å; F235-L297 HydrophobicContact CE1-CD1 4.08Å; F235-L297 HydrophobicContact CE1-CD2 4.42Å; F235-L297 HydrophobicContact CG-CD1 4.35Å | ||
| 236 | C | 94.1 | Very high | 80.8 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -123.8 | -173.1 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | C229 N234 | C229-C236 WeakPolarHBondContact CA-SG 3.49Å; C229-C236 HydrophobicContact CB-CB 3.7Å; C229-C236 WeakPolarHBondContact CB-SG 3.03Å; C229-C236 WeakPolarHBondContact SG-CB 3.45Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 3.34Å; N234-C236 WeakPolarHBondContact OD1-CA 3.29Å; N234-C236 PolarHBondContact OD1-N 3.01Å |
| 237 | S | 94.5 | Very high | 78.5 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3 | 173.1 | -73.2 | 0 | 0 | 0 | 0 | 114.3 | S225 K226 F235 | S225-S237 WeakPolarHBondContact O-CB 3.17Å; S225-S237 PolarHBondContact O-OG 3.34Å; K226-S237 WeakPolarHBondContact O-CB 3.39Å; F235-S237 PolarHBondContact O-N 3.29Å |
| 238 | Y | 94.2 | Very high | 75.6 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | trans | -77.2 | 146.2 | 179.7 | -70.7 | -92 | 0 | 0 | 0 | 112.4 | L227 C229 F235 L297 S298 A299 F364 | L227-Y238 WeakPolarHBondContact O-CE2 3.48Å; L227-Y238 PolarHBondContact O-OH 3.32Å; C229-Y238 HydrophobicContact CB-CD2 4.06Å; C229-Y238 HydrophobicContact CB-CE2 4.01Å; F235-Y238 WeakPolarHBondContact CB-O 3.46Å; F235-Y238 WeakPolarHBondContact O-CA 3.43Å; F235-Y238 VanDerWaalsContact O-CB 3.3Å; F235-Y238 WeakPolarHBondContact O-CB 3.05Å; F235-Y238 PolarHBondContact O-N 2.91Å; Y238-L297 HydrophobicContact CD1-CD2 4.32Å; Y238-L297 HydrophobicContact CD1-CG 3.94Å; Y238-L297 HydrophobicContact CG-CD2 4.3Å; Y238-L297 HydrophobicContact CG-CG 4.12Å; Y238-S298 CarbonylContact C-O 3.48Å; Y238-S298 WeakPolarHBondContact CA-O 3.2Å; Y238-A299 HydrophobicContact CD1-CB 3.61Å; Y238-A299 HydrophobicContact CD2-CB 4.35Å; Y238-A299 HydrophobicContact CE1-CB 3.58Å; Y238-A299 HydrophobicContact CE2-CB 4.33Å; Y238-A299 HydrophobicContact CG-CB 3.98Å; Y238-F364 AromaticContact CE1-CD2 3.98Å; Y238-F364 HydrophobicContact CE1-CD2 3.98Å; Y238-F364 AromaticContact CE1-CE2 3.82Å; Y238-F364 HydrophobicContact CE1-CE2 3.82Å; Y238-F364 AromaticContact CZ-CE2 3.98Å | ||
| 239 | V | 92.6 | Very high | 72.4 | Confident | 76 Ų | 76 | 58 Ų | 58 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.5 | 179 | -74 | 0 | 0 | 0 | 0 | 111.7 | T241 S298 | V239-T241 HydrophobicContact CB-CG2 4.35Å; V239-T241 HydrophobicContact CG2-CG2 3.71Å; V239-T241 PolarHBondContact O-N 3.33Å; V239-S298 VanDerWaalsContact CG2-O 3.3Å; V239-S298 WeakPolarHBondContact CG2-O 3.45Å; V239-S298 PolarHBondContact N-O 2.88Å; V239-S298 PolarHBondContact O-N 3.35Å |
| 240 | N | 87.9 | Confident | 69.2 | Low | 48 Ų | 48 | 59.2 Ų | 59.2 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 117.8 | 171.6 | -89.4 | -65 | 0 | 0 | 0 | 110.2 | N260 W261 V296 | N240-N260 WeakPolarHBondContact OD1-CA 3.43Å; N240-W261 PolarHBondContact ND2-O 3.3Å; N240-W261 PolarHBondContact OD1-N 2.73Å; N240-V296 CarbonylContact C-O 3.49Å; N240-V296 WeakPolarHBondContact CA-O 3.48Å |
| 241 | T | 73.3 | Confident | 66 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | trans | -135.5 | 52 | -172.1 | 56 | 0 | 0 | 0 | 0 | 113.7 | V239 V296 S298 | V239-T241 HydrophobicContact CB-CG2 4.35Å; V239-T241 HydrophobicContact CG2-CG2 3.71Å; V239-T241 PolarHBondContact O-N 3.33Å; T241-V296 PolarHBondContact N-O 2.97Å; T241-S298 VanDerWaalsContact CG2-OG 3.23Å; T241-S298 WeakPolarHBondContact CG2-OG 3.49Å; T241-S298 VanDerWaalsContact OG1-CB 3.29Å; T241-S298 WeakPolarHBondContact OG1-CB 3.37Å; T241-S298 PolarHBondContact OG1-OG 2.79Å | ||
| 242 | G | 59.4 | Low | 63 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | trans | -165.6 | 13.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | G244 | G242-G244 PolarHBondContact O-N 3.42Š| ||
| 243 | N | 50.8 | Low | 60.1 | Low | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.7 | 107.8 | -164.5 | -57.8 | 25.4 | 0 | 0 | 0 | 113.8 | V245 N260 | N243-V245 VanDerWaalsContact C-N 3.31Å; N243-V245 PolarHBondContact O-N 3Å; N243-V245 VanDerWaalsContact O-N 3.17Å; N243-N260 PolarHBondContact OD1-OD1 2.86Å |
| 244 | G | 44.6 | Very low | 57.5 | Low | 30 Ų | 30 | 74.8 Ų | 74.8 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 22.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G242 S246 | G242-G244 PolarHBondContact O-N 3.42Å; G244-S246 PolarHBondContact O-N 2.78Å |
| 245 | V | 39.1 | Very low | 54.6 | Low | 82 Ų | 82 | 72.8 Ų | 72.8 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | trans | -64.2 | 98.9 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | N243 L247 | N243-V245 VanDerWaalsContact C-N 3.31Å; N243-V245 PolarHBondContact O-N 3Å; N243-V245 VanDerWaalsContact O-N 3.17Å; V245-L247 PolarHBondContact O-N 2.86Å | ||
| 246 | S | 36.6 | Very low | 51.9 | Low | 48 Ų | 48 | 76.2 Ų | 76.2 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | trans | -61.6 | 128.6 | 178.8 | -158.9 | 0 | 0 | 0 | 0 | 109.9 | G244 K293 | G244-S246 PolarHBondContact O-N 2.78Å; S246-K293 PolarHBondContact OG-NZ 2.82Å | ||
| 247 | L | 44.9 | Very low | 49.5 | Very low | 58 Ų | 58 | 75.1 Ų | 75.1 | 30% | 0.304 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -62.3 | 145.2 | 158.1 | -51.1 | 180 | 0 | 0 | 0 | 107.3 | V245 G249 N292 V367 | V245-L247 PolarHBondContact O-N 2.86Å; L247-G249 PolarHBondContact O-N 2.82Å; L247-N292 HydrophobicContact CB-CB 4.06Å; L247-N292 PolarHBondContact N-O 3.04Å; L247-V367 HydrophobicContact CD1-CG1 3.83Å |
| 248 | Q | 34.8 | Very low | 47.4 | Very low | 199 Ų | 199 | 73.7 Ų | 73.7 | 93% | 0.93 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42 | 124 | -159.2 | -69.7 | 166.5 | -40.4 | 0 | 0 | 115.2 | G250 | Q248-G250 PolarHBondContact O-N 3.39Š|
| 249 | G | 28.3 | Very low | 46.1 | Very low | 87 Ų | 87 | 75.3 Ų | 75.3 | 90% | 0.897 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -2.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | L247 | L247-G249 PolarHBondContact O-N 2.82Š|
| 250 | G | 29.1 | Very low | 45.7 | Very low | 30 Ų | 30 | 74 Ų | 74 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | trans | -73.7 | 139.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q248 | Q248-G250 PolarHBondContact O-N 3.39Š| ||
| 251 | M | 27.9 | Very low | 45.8 | Very low | 185 Ų | 185 | 72 Ų | 72 | 91% | 0.911 | 47% | 0.466 | S | S | * | . | trans | -57.3 | 149.3 | 179.4 | -67.2 | -172.8 | -172.1 | 0 | 0 | 113.2 | G253 | M251-G253 PolarHBondContact O-N 2.97Š| ||
| 252 | V | 29.4 | Very low | 46.6 | Very low | 135 Ų | 135 | 72.7 Ų | 72.7 | 82% | 0.818 | 47% | 0.465 | S | S | * | . | trans | -81.8 | 94.6 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | S254 | V252-S254 PolarHBondContact O-N 2.87Š| ||
| 253 | G | 32.5 | Very low | 48 | Very low | 57 Ų | 57 | 74.3 Ų | 74.3 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | -65.9 | 117.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M251 G255 | M251-G253 PolarHBondContact O-N 2.97Å; G253-G255 PolarHBondContact O-N 2.97Å | ||
| 254 | S | 28.3 | Very low | 49.7 | Very low | 131 Ų | 131 | 70 Ų | 70 | 92% | 0.916 | 45% | 0.451 | S | S | * | . | trans | -84.5 | 89.1 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V252 | V252-S254 PolarHBondContact O-N 2.87Š| ||
| 255 | G | 31.4 | Very low | 51.6 | Low | 38 Ų | 38 | 74.2 Ų | 74.2 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -179.8 | 108.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G253 S257 | G253-G255 PolarHBondContact O-N 2.97Å; G255-S257 PolarHBondContact O-N 3.44Å |
| 256 | T | 36 | Very low | 53.1 | Low | 117 Ų | 117 | 71.6 Ų | 71.6 | 72% | 0.718 | 45% | 0.452 | S | S | * | . | trans | 29.7 | 27.7 | 159 | 52.2 | 0 | 0 | 0 | 0 | 120.5 | R269 | T256-R269 PolarHBondContact O-NH2 2.04Š| ||
| 257 | S | 43.9 | Very low | 54.5 | Low | 29 Ų | 29 | 75.4 Ų | 75.4 | 20% | 0.203 | 46% | 0.459 | C | S | . | . | trans | -83 | 119.5 | 170.7 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | G255 N259 C290 | G255-S257 PolarHBondContact O-N 3.44Å; S257-N259 PolarHBondContact O-N 3.03Å; S257-C290 WeakPolarHBondContact CB-SG 3.1Å | ||
| 258 | S | 51.5 | Low | 55.7 | Low | 18 Ų | 18 | 73.2 Ų | 73.2 | 13% | 0.126 | 45% | 0.447 | C | S | . | . | trans | -84 | 108.3 | 174 | -156.6 | 0 | 0 | 0 | 0 | 108.1 | N260 E262 | S258-N260 PolarHBondContact O-N 2.86Å; S258-E262 WeakPolarHBondContact CB-OE1 3.29Å; S258-E262 PolarHBondContact OG-OE1 3.25Å | ||
| 259 | N | 67.1 | Low | 57.2 | Low | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -76.2 | 24 | 172 | -60.3 | -82.1 | 0 | 0 | 0 | 112.1 | S257 | S257-N259 PolarHBondContact O-N 3.03Š|
| 260 | N | 83.8 | Confident | 58.1 | Low | 50 Ų | 50 | 63.2 Ų | 63.2 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -130.4 | 161.1 | -174.2 | -58.4 | -23.1 | 0 | 0 | 0 | 108.1 | N240 N243 S258 T287 | N240-N260 WeakPolarHBondContact OD1-CA 3.43Å; N243-N260 PolarHBondContact OD1-OD1 2.86Å; S258-N260 PolarHBondContact O-N 2.86Å; N260-T287 WeakPolarHBondContact O-CB 3.33Å; N260-T287 PolarHBondContact O-OG1 2.81Å |
| 261 | W | 90.3 | Very high | 59.2 | Low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | trans | -79.6 | 144.5 | 160.9 | -64.7 | 81.2 | 0 | 0 | 0 | 110.1 | F235 N240 A285 A286 T287 L297 L322 F364 A366 V376 L378 | F235-W261 HydrophobicContact CE1-CB 3.95Å; F235-W261 VanDerWaalsContact CZ-C 3.47Å; F235-W261 HydrophobicContact CZ-CB 3.98Å; F235-W261 VanDerWaalsContact CZ-O 3.27Å; F235-W261 WeakPolarHBondContact CZ-O 3.42Å; N240-W261 PolarHBondContact ND2-O 3.3Å; N240-W261 PolarHBondContact OD1-N 2.73Å; W261-A285 HydrophobicContact CE3-CB 4.04Å; W261-A286 CarbonylContact C-O 3.6Å; W261-A286 WeakPolarHBondContact CA-O 3.42Å; W261-T287 HydrophobicContact CD2-CG2 4.04Å; W261-T287 HydrophobicContact CE3-CG2 4.16Å; W261-T287 HydrophobicContact CH2-CG2 4.3Å; W261-T287 HydrophobicContact CZ2-CG2 4.16Å; W261-T287 HydrophobicContact CZ3-CG2 4.29Å; W261-L297 HydrophobicContact CB-CD1 4.34Å; W261-L297 HydrophobicContact CD2-CB 4.23Å; W261-L297 HydrophobicContact CG-CB 3.92Å; W261-L322 HydrophobicContact CH2-CD1 4.07Å; W261-L322 HydrophobicContact CZ2-CD1 4.18Å; W261-F364 HydrophobicContact CZ2-CB 4.28Å; W261-A366 HydrophobicContact CH2-CB 4.5Å; W261-A366 HydrophobicContact CZ2-CB 3.95Å; W261-V376 HydrophobicContact CH2-CB 4.26Å; W261-V376 HydrophobicContact CH2-CG1 3.76Å; W261-V376 HydrophobicContact CZ3-CG1 4.27Å; W261-L378 HydrophobicContact CH2-CB 4.02Å; W261-L378 HydrophobicContact CZ3-CB 3.62Å; W261-L378 HydrophobicContact CZ3-CD2 4.49Å | ||
| 262 | E | 89.6 | Confident | 60.4 | Low | 69 Ų | 69 | 55.4 Ų | 55.4 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.7 | 179.5 | -66.6 | 170.2 | 164.1 | 0 | 0 | 108.9 | S258 V264 Y268 A285 A286 | S258-E262 WeakPolarHBondContact CB-OE1 3.29Å; S258-E262 PolarHBondContact OG-OE1 3.25Å; E262-V264 HydrophobicContact CB-CG2 4.37Å; E262-Y268 WeakPolarHBondContact OE2-CE2 3.35Å; E262-Y268 PolarHBondContact OE2-OH 3.47Å; E262-A285 CarbonylContact O-C 3.51Å; E262-A285 WeakPolarHBondContact O-CA 3.38Å; E262-A286 PolarHBondContact N-O 3.18Å; E262-A286 PolarHBondContact O-N 3.25Å |
| 263 | T | 89.3 | Confident | 62.2 | Low | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | F235 Y284 | F235-T263 HydrophobicContact CD1-CG2 4.2Å; F235-T263 HydrophobicContact CD2-CG2 4.21Å; F235-T263 HydrophobicContact CE1-CG2 3.96Å; F235-T263 HydrophobicContact CE2-CG2 3.98Å; F235-T263 HydrophobicContact CG-CG2 4.3Å; F235-T263 HydrophobicContact CZ-CG2 3.83Å; T263-Y284 CarbonylContact C-O 3.31Å; T263-Y284 WeakPolarHBondContact CA-O 3.26Å |
| 264 | V | 86 | Confident | 63.7 | Low | 17 Ų | 17 | 47.3 Ų | 47.3 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.8 | -170 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | E262 Y268 Y283 Y284 A286 | E262-V264 HydrophobicContact CB-CG2 4.37Å; V264-Y268 HydrophobicContact CB-CD2 4.14Å; V264-Y268 HydrophobicContact CG1-CD2 3.77Å; V264-Y268 HydrophobicContact CG1-CG 4.21Å; V264-Y268 HydrophobicContact CG2-CD2 3.31Å; V264-Y268 HydrophobicContact CG2-CE2 3.61Å; V264-Y268 HydrophobicContact CG2-CG 3.89Å; V264-Y283 CarbonylContact O-C 3.55Å; V264-Y283 WeakPolarHBondContact O-CA 3.42Å; V264-Y284 HydrophobicContact CB-CE1 4.35Å; V264-Y284 HydrophobicContact CB-CE2 4.01Å; V264-Y284 HydrophobicContact CG1-CE1 4.5Å; V264-Y284 HydrophobicContact CG1-CE2 4.49Å; V264-Y284 PolarHBondContact N-O 2.83Å; V264-Y284 WeakPolarHBondContact O-CD1 3.32Å; V264-Y284 PolarHBondContact O-N 2.92Å; V264-A286 HydrophobicContact CG2-CB 4.11Å |
| 265 | Q | 83.4 | Confident | 65.8 | Low | 118 Ų | 118 | 41 Ų | 41 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132 | 168.4 | -171.2 | 173.2 | 28.3 | 0 | 0 | 110.5 | R267 T282 Y283 | Q265-R267 PolarHBondContact O-N 2.83Å; Q265-T282 HydrophobicContact CG-CG2 3.88Å; Q265-Y283 HydrophobicContact CB-CD1 3.84Å; Q265-Y283 HydrophobicContact CB-CE1 3.65Å; Q265-Y283 HydrophobicContact CG-CE1 4.31Å |
| 266 | G | 70.6 | Confident | 67.5 | Low | 27 Ų | 27 | 42.4 Ų | 42.4 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 67.2 | -121.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N276 N277 Y284 | G266-N276 CarbonylContact C-O 3.54Å; G266-N276 CarbonylContact O-C 3.58Å; G266-N276 VanDerWaalsContact O-O 3.08Å; G266-N277 PolarHBondContact O-N 3.27Å; G266-Y284 WeakPolarHBondContact O-CE1 3.37Å; G266-Y284 PolarHBondContact O-OH 3Å |
| 267 | R | 67.3 | Low | 69.6 | Low | 127 Ų | 127 | 41.1 Ų | 41.1 | 48% | 0.479 | 22% | 0.216 | S | C | . | . | trans | -85.2 | 120.1 | -172.8 | -73.8 | -179.1 | 172.1 | 166.2 | 5.8 | 112.2 | S33 Q265 N270 N276 | S33-R267 PolarHBondContact O-NH1 2.85Å; S33-R267 VanDerWaalsContact O-NH1 3.09Å; Q265-R267 PolarHBondContact O-N 2.83Å; R267-N270 HydrophobicContact CB-CB 3.77Å; R267-N270 HydrophobicContact CG-CB 3.94Å; R267-N276 WeakPolarHBondContact CG-O 3.21Å; R267-N276 PolarHBondContact N-O 3.46Å; R267-N276 PolarHBondContact NE-OD1 2.95Å | ||
| 268 | Y | 69.9 | Low | 71.5 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -99.9 | 103 | 172.9 | -170.1 | -123.8 | 0 | 0 | 0 | 112 | E262 V264 N270 T273 L275 Y284 A286 | E262-Y268 WeakPolarHBondContact OE2-CE2 3.35Å; E262-Y268 PolarHBondContact OE2-OH 3.47Å; V264-Y268 HydrophobicContact CB-CD2 4.14Å; V264-Y268 HydrophobicContact CG1-CD2 3.77Å; V264-Y268 HydrophobicContact CG1-CG 4.21Å; V264-Y268 HydrophobicContact CG2-CD2 3.31Å; V264-Y268 HydrophobicContact CG2-CE2 3.61Å; V264-Y268 HydrophobicContact CG2-CG 3.89Å; Y268-N270 PolarHBondContact O-N 2.03Å; Y268-T273 WeakPolarHBondContact O-CB 3.29Å; Y268-T273 VanDerWaalsContact O-CG2 3.27Å; Y268-T273 WeakPolarHBondContact O-CG2 3.43Å; Y268-T273 PolarHBondContact O-OG1 3.28Å; Y268-L275 PolarHBondContact N-O 2.87Å; Y268-Y284 VanDerWaalsContact CB-OH 3.23Å; Y268-Y284 WeakPolarHBondContact CB-OH 3.09Å; Y268-Y284 PolarHBondContact N-OH 2.91Å; Y268-Y284 VanDerWaalsContact N-OH 3.08Å; Y268-A286 HydrophobicContact CD1-CB 3.48Å; Y268-A286 VanDerWaalsContact CD1-CB 3.48Å; Y268-A286 HydrophobicContact CE1-CB 3.69Å; Y268-A286 HydrophobicContact CG-CB 3.93Å |
| 269 | R | 65.7 | Low | 73.2 | Confident | 66 Ų | 66 | 41 Ų | 41 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 50.4 | 27.7 | -177.8 | -60.9 | -179.7 | -178 | -115.2 | 1.9 | 113.4 | D138 T256 L272 T273 Y288 | D138-R269 IonicContact OD1-NH1 2.65Å; T256-R269 PolarHBondContact O-NH2 2.04Å; R269-L272 HydrophobicContact CB-CD1 4.33Å; R269-L272 WeakPolarHBondContact O-CB 3.08Å; R269-L272 PolarHBondContact O-N 3.07Å; R269-T273 HydrophobicContact CB-CG2 3.89Å; R269-Y288 VanDerWaalsContact NH1-CE1 3.3Å |
| 270 | N | 47.7 | Very low | 74.1 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 114.9 | 173.6 | -159.1 | -59.7 | 0 | 0 | 0 | 106.7 | N35 R267 Y268 G274 L275 N276 | N35-N270 PolarHBondContact ND2-O 2.65Å; R267-N270 HydrophobicContact CB-CB 3.77Å; R267-N270 HydrophobicContact CG-CB 3.94Å; Y268-N270 PolarHBondContact O-N 2.03Å; N270-G274 PolarHBondContact ND2-O 2.99Å; N270-G274 VanDerWaalsContact ND2-O 3.11Å; N270-L275 PolarHBondContact ND2-N 2.95Å; N270-L275 PolarHBondContact ND2-O 2.78Å; N270-N276 PolarHBondContact ND2-N 3.34Å; N270-N276 PolarHBondContact ND2-ND2 2.82Å; N270-N276 PolarHBondContact ND2-OD1 2.72Å |
| 271 | P | 51.7 | Low | 74.3 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -119.3 | 2.3 | 41.8 | 4.8 | 20.8 | 0 | 0 | 0 | 117.4 | N35 G37 F136 T273 | N35-P271 WeakPolarHBondContact O-CG 3.3Å; G37-P271 WeakPolarHBondContact O-CB 3.46Å; G37-P271 WeakPolarHBondContact O-CG 3.4Å; F136-P271 HydrophobicContact CD1-CG 4.11Å; F136-P271 HydrophobicContact CE1-CB 3.73Å; F136-P271 HydrophobicContact CE1-CG 3.42Å; F136-P271 VanDerWaalsContact CE1-CG 3.42Å; F136-P271 HydrophobicContact CE2-CB 4.16Å; F136-P271 HydrophobicContact CZ-CB 3.49Å; F136-P271 VanDerWaalsContact CZ-CB 3.49Å; F136-P271 HydrophobicContact CZ-CG 3.76Å; P271-T273 PolarHBondContact O-N 3.14Å; P271-T273 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 53.8 | Low | 74.2 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -41 | 168.6 | -76.6 | 151.7 | 0 | 0 | 0 | 111.8 | F136 R269 Y288 | F136-L272 HydrophobicContact CB-CD1 4.28Å; F136-L272 HydrophobicContact CB-CD2 3.5Å; F136-L272 HydrophobicContact CB-CG 3.51Å; F136-L272 HydrophobicContact CD2-CD2 4.31Å; F136-L272 HydrophobicContact CD2-CG 4.32Å; F136-L272 HydrophobicContact CG-CD2 4.34Å; F136-L272 HydrophobicContact CG-CG 4.16Å; R269-L272 HydrophobicContact CB-CD1 4.33Å; R269-L272 WeakPolarHBondContact O-CB 3.08Å; R269-L272 PolarHBondContact O-N 3.07Å; L272-Y288 HydrophobicContact CB-CE2 4.38Å; L272-Y288 HydrophobicContact CD1-CE2 3.93Å; L272-Y288 WeakPolarHBondContact CD1-OH 3.21Å |
| 273 | T | 66.3 | Low | 74.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -97.5 | -25.8 | -165.1 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | Y268 R269 P271 L275 Y288 Y314 A316 A375 | Y268-T273 WeakPolarHBondContact O-CB 3.29Å; Y268-T273 VanDerWaalsContact O-CG2 3.27Å; Y268-T273 WeakPolarHBondContact O-CG2 3.43Å; Y268-T273 PolarHBondContact O-OG1 3.28Å; R269-T273 HydrophobicContact CB-CG2 3.89Å; P271-T273 PolarHBondContact O-N 3.14Å; P271-T273 VanDerWaalsContact O-N 3.1Å; T273-L275 PolarHBondContact O-N 3.27Å; T273-L275 WeakPolarHBondContact OG1-CB 3.39Å; T273-L275 PolarHBondContact OG1-N 2.88Å; T273-L275 VanDerWaalsContact OG1-N 3.08Å; T273-Y288 HydrophobicContact CG2-CD2 4.44Å; T273-Y314 VanDerWaalsContact O-CE1 3.27Å; T273-Y314 WeakPolarHBondContact O-CE1 3.39Å; T273-Y314 PolarHBondContact O-OH 2.87Å; T273-A316 HydrophobicContact CG2-CB 4.45Å; T273-A316 VanDerWaalsContact O-CB 3.22Å; T273-A316 WeakPolarHBondContact O-CB 3.33Å; T273-A375 HydrophobicContact CG2-CB 3.38Å |
| 274 | G | 64.1 | Low | 74.4 | Confident | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | trans | 69.7 | -9.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N270 N276 Y314 | N270-G274 PolarHBondContact ND2-O 2.99Å; N270-G274 VanDerWaalsContact ND2-O 3.11Å; G274-N276 PolarHBondContact O-N 2.82Å; G274-N276 VanDerWaalsContact O-N 3.08Å; G274-N276 PolarHBondContact O-ND2 2.82Å; G274-N276 VanDerWaalsContact O-ND2 3.13Å; G274-Y314 WeakPolarHBondContact CA-OH 3.33Å; G274-Y314 PolarHBondContact O-OH 2.78Å | ||
| 275 | L | 73.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -74.9 | 100.3 | -172.3 | -170.8 | 46.7 | 0 | 0 | 0 | 110.7 | Y268 N270 T273 Y284 A286 Y314 W348 | Y268-L275 PolarHBondContact N-O 2.87Å; N270-L275 PolarHBondContact ND2-N 2.95Å; N270-L275 PolarHBondContact ND2-O 2.78Å; T273-L275 PolarHBondContact O-N 3.27Å; T273-L275 WeakPolarHBondContact OG1-CB 3.39Å; T273-L275 PolarHBondContact OG1-N 2.88Å; T273-L275 VanDerWaalsContact OG1-N 3.08Å; L275-Y284 HydrophobicContact CD1-CE2 4.22Å; L275-Y284 HydrophobicContact CD2-CD2 4.27Å; L275-Y284 HydrophobicContact CD2-CE2 3.5Å; L275-Y284 VanDerWaalsContact CD2-CE2 3.5Å; L275-Y284 HydrophobicContact CG-CE2 3.73Å; L275-A286 HydrophobicContact CD2-CB 4.25Å; L275-Y314 HydrophobicContact CB-CD1 4.18Å; L275-Y314 HydrophobicContact CB-CE1 4.02Å; L275-Y314 HydrophobicContact CD1-CD1 3.88Å; L275-Y314 HydrophobicContact CD1-CD2 3.73Å; L275-Y314 HydrophobicContact CD1-CE1 4.31Å; L275-Y314 HydrophobicContact CD1-CE2 4.16Å; L275-Y314 HydrophobicContact CD1-CG 3.58Å; L275-Y314 HydrophobicContact CD2-CD1 4.31Å; L275-Y314 HydrophobicContact CG-CD1 4.35Å; L275-Y314 HydrophobicContact CG-CG 4.5Å; L275-W348 HydrophobicContact CD1-CH2 4.37Å; L275-W348 HydrophobicContact CD1-CZ2 3.56Å | ||
| 276 | N | 67.5 | Low | 75.2 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | trans | -95.4 | -32.4 | -168.2 | -95 | -69.1 | 0 | 0 | 0 | 114.7 | G266 R267 N270 G274 | G266-N276 CarbonylContact C-O 3.54Å; G266-N276 CarbonylContact O-C 3.58Å; G266-N276 VanDerWaalsContact O-O 3.08Å; R267-N276 WeakPolarHBondContact CG-O 3.21Å; R267-N276 PolarHBondContact N-O 3.46Å; R267-N276 PolarHBondContact NE-OD1 2.95Å; N270-N276 PolarHBondContact ND2-N 3.34Å; N270-N276 PolarHBondContact ND2-ND2 2.82Å; N270-N276 PolarHBondContact ND2-OD1 2.72Å; G274-N276 PolarHBondContact O-N 2.82Å; G274-N276 VanDerWaalsContact O-N 3.08Å; G274-N276 PolarHBondContact O-ND2 2.82Å; G274-N276 VanDerWaalsContact O-ND2 3.13Å | ||
| 277 | N | 80.3 | Confident | 76.1 | Confident | 91 Ų | 91 | 35.3 Ų | 35.3 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -159.7 | 165.3 | -169.8 | 52.8 | -85.1 | 0 | 0 | 0 | 109.7 | G266 W348 | G266-N277 PolarHBondContact O-N 3.27Å; N277-W348 WeakPolarHBondContact O-CZ2 3.27Å; N277-W348 PolarHBondContact O-NE1 2.64Å |
| 278 | A | 83.3 | Confident | 76.9 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | trans | -60.8 | 162.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S280 Y283 Y284 | A278-S280 WeakPolarHBondContact CB-O 3.04Å; A278-Y283 WeakPolarHBondContact CB-O 3.45Å; A278-Y284 HydrophobicContact CB-CD1 3.63Å; A278-Y284 HydrophobicContact CB-CE1 4.43Å; A278-Y284 HydrophobicContact CB-CG 4.4Å | ||
| 279 | A | 85.9 | Confident | 77.3 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 31% | 0.306 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -74.6 | -40 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N312 W348 D379 | A279-N312 HydrophobicContact CB-CB 3.53Å; A279-N312 WeakPolarHBondContact CB-ND2 3.04Å; A279-W348 HydrophobicContact CB-CB 4.31Å; A279-W348 HydrophobicContact CB-CD2 3.6Å; A279-W348 HydrophobicContact CB-CE3 3.75Å; A279-W348 HydrophobicContact CB-CG 3.87Å; A279-W348 HydrophobicContact CB-CZ2 4.42Å; A279-W348 HydrophobicContact CB-CZ3 4.23Å; A279-D379 WeakPolarHBondContact CA-OD2 3.41Å; A279-D379 HydrophobicContact CB-CB 3.95Å; A279-D379 VanDerWaalsContact CB-OD2 3.26Å; A279-D379 WeakPolarHBondContact CB-OD2 3.3Å; A279-D379 PolarHBondContact N-OD2 2.7Å |
| 280 | S | 86.1 | Confident | 77.5 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -138.1 | 173.2 | 164.4 | 81.7 | 0 | 0 | 0 | 0 | 110.7 | A278 D379 D380 | A278-S280 WeakPolarHBondContact CB-O 3.04Å; S280-D379 PolarHBondContact N-OD2 3.44Å; S280-D379 VanDerWaalsContact N-OD2 3.13Å; S280-D380 VanDerWaalsContact CB-OD2 3.28Å; S280-D380 WeakPolarHBondContact CB-OD2 3.39Å; S280-D380 VanDerWaalsContact OG-CG 3.26Å; S280-D380 PolarHBondContact OG-OD1 3.24Å; S280-D380 PolarHBondContact OG-OD2 3.28Å |
| 281 | G | 88 | Confident | 78.5 | Confident | 64 Ų | 64 | 28 Ų | 28 | 66% | 0.66 | 18% | 0.182 | S | C | * | . | S | Bend | trans | 64.6 | -138.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 282 | T | 88 | Confident | 79.4 | Confident | 66 Ų | 66 | 30.7 Ų | 30.7 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -126.9 | -31.9 | -170.8 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | E232 Q265 | E232-T282 PolarHBondContact OE1-N 2.97Å; Q265-T282 HydrophobicContact CG-CG2 3.88Å |
| 283 | Y | 91.4 | Very high | 80.5 | Confident | 71 Ų | 71 | 29.9 Ų | 29.9 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 164.7 | -178.7 | -62.5 | -103.1 | 0 | 0 | 0 | 111.7 | F231 E232 V264 Q265 A278 | F231-Y283 VanDerWaalsContact O-CB 3.24Å; F231-Y283 WeakPolarHBondContact O-CB 3.44Å; E232-Y283 PolarHBondContact OE1-N 3.49Å; V264-Y283 CarbonylContact O-C 3.55Å; V264-Y283 WeakPolarHBondContact O-CA 3.42Å; Q265-Y283 HydrophobicContact CB-CD1 3.84Å; Q265-Y283 HydrophobicContact CB-CE1 3.65Å; Q265-Y283 HydrophobicContact CG-CE1 4.31Å; A278-Y283 WeakPolarHBondContact CB-O 3.45Å |
| 284 | Y | 93.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 163.6 | 172.8 | 53.6 | -81.3 | 0 | 0 | 0 | 109.3 | T263 V264 G266 Y268 L275 A278 A286 W348 | T263-Y284 CarbonylContact C-O 3.31Å; T263-Y284 WeakPolarHBondContact CA-O 3.26Å; V264-Y284 HydrophobicContact CB-CE1 4.35Å; V264-Y284 HydrophobicContact CB-CE2 4.01Å; V264-Y284 HydrophobicContact CG1-CE1 4.5Å; V264-Y284 HydrophobicContact CG1-CE2 4.49Å; V264-Y284 PolarHBondContact N-O 2.83Å; V264-Y284 WeakPolarHBondContact O-CD1 3.32Å; V264-Y284 PolarHBondContact O-N 2.92Å; G266-Y284 WeakPolarHBondContact O-CE1 3.37Å; G266-Y284 PolarHBondContact O-OH 3Å; Y268-Y284 VanDerWaalsContact CB-OH 3.23Å; Y268-Y284 WeakPolarHBondContact CB-OH 3.09Å; Y268-Y284 PolarHBondContact N-OH 2.91Å; Y268-Y284 VanDerWaalsContact N-OH 3.08Å; L275-Y284 HydrophobicContact CD1-CE2 4.22Å; L275-Y284 HydrophobicContact CD2-CD2 4.27Å; L275-Y284 HydrophobicContact CD2-CE2 3.5Å; L275-Y284 VanDerWaalsContact CD2-CE2 3.5Å; L275-Y284 HydrophobicContact CG-CE2 3.73Å; A278-Y284 HydrophobicContact CB-CD1 3.63Å; A278-Y284 HydrophobicContact CB-CE1 4.43Å; A278-Y284 HydrophobicContact CB-CG 4.4Å; Y284-A286 HydrophobicContact CD2-CB 3.93Å; Y284-A286 HydrophobicContact CE2-CB 3.73Å; Y284-W348 HydrophobicContact CD1-CZ2 4.46Å; Y284-W348 HydrophobicContact CD2-CH2 4.06Å; Y284-W348 HydrophobicContact CD2-CZ2 4.13Å; Y284-W348 HydrophobicContact CG-CH2 4.09Å; Y284-W348 HydrophobicContact CG-CZ2 4.03Å |
| 285 | A | 94.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F231 F235 W261 E262 G377 L378 | F231-A285 HydrophobicContact CB-CB 4.41Å; F231-A285 HydrophobicContact CD1-CB 3.71Å; F231-A285 HydrophobicContact CD2-CB 3.96Å; F231-A285 HydrophobicContact CE1-CB 3.9Å; F231-A285 HydrophobicContact CE2-CB 4.1Å; F231-A285 HydrophobicContact CG-CB 3.75Å; F231-A285 HydrophobicContact CZ-CB 4.08Å; F235-A285 HydrophobicContact CE1-CB 3.91Å; W261-A285 HydrophobicContact CE3-CB 4.04Å; E262-A285 CarbonylContact O-C 3.51Å; E262-A285 WeakPolarHBondContact O-CA 3.38Å; A285-G377 CarbonylContact O-C 3.54Å; A285-G377 WeakPolarHBondContact O-CA 3.48Å; A285-L378 HydrophobicContact CB-CB 4.34Å; A285-L378 PolarHBondContact N-O 2.66Å; A285-L378 PolarHBondContact O-N 2.55Å; A285-L378 VanDerWaalsContact O-O 3.14Å |
| 286 | A | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W261 E262 V264 Y268 L275 Y284 V376 | W261-A286 CarbonylContact C-O 3.6Å; W261-A286 WeakPolarHBondContact CA-O 3.42Å; E262-A286 PolarHBondContact N-O 3.18Å; E262-A286 PolarHBondContact O-N 3.25Å; V264-A286 HydrophobicContact CG2-CB 4.11Å; Y268-A286 HydrophobicContact CD1-CB 3.48Å; Y268-A286 VanDerWaalsContact CD1-CB 3.48Å; Y268-A286 HydrophobicContact CE1-CB 3.69Å; Y268-A286 HydrophobicContact CG-CB 3.93Å; L275-A286 HydrophobicContact CD2-CB 4.25Å; Y284-A286 HydrophobicContact CD2-CB 3.93Å; Y284-A286 HydrophobicContact CE2-CB 3.73Å; A286-V376 WeakPolarHBondContact CA-O 3.2Å; A286-V376 WeakPolarHBondContact CB-O 3.36Å |
| 287 | T | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.2 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | N260 W261 L289 A295 A366 A375 V376 | N260-T287 WeakPolarHBondContact O-CB 3.33Å; N260-T287 PolarHBondContact O-OG1 2.81Å; W261-T287 HydrophobicContact CD2-CG2 4.04Å; W261-T287 HydrophobicContact CE3-CG2 4.16Å; W261-T287 HydrophobicContact CH2-CG2 4.3Å; W261-T287 HydrophobicContact CZ2-CG2 4.16Å; W261-T287 HydrophobicContact CZ3-CG2 4.29Å; T287-L289 HydrophobicContact CG2-CG 4.43Å; T287-A295 HydrophobicContact CG2-CB 4.15Å; T287-A295 WeakPolarHBondContact OG1-CB 3.06Å; T287-A366 HydrophobicContact CG2-CB 3.53Å; T287-A375 WeakPolarHBondContact O-CA 3.22Å; T287-A375 WeakPolarHBondContact O-CB 3.31Å; T287-V376 HydrophobicContact CG2-CB 4.47Å; T287-V376 PolarHBondContact N-O 3.43Å; T287-V376 PolarHBondContact O-N 3.03Å |
| 288 | Y | 83.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113.2 | 179 | -178.6 | -94.9 | 0 | 0 | 0 | 110.6 | R269 L272 T273 Q373 G374 A375 | R269-Y288 VanDerWaalsContact NH1-CE1 3.3Å; L272-Y288 HydrophobicContact CB-CE2 4.38Å; L272-Y288 HydrophobicContact CD1-CE2 3.93Å; L272-Y288 WeakPolarHBondContact CD1-OH 3.21Å; T273-Y288 HydrophobicContact CG2-CD2 4.44Å; Y288-Q373 HydrophobicContact CE1-CB 3.81Å; Y288-Q373 HydrophobicContact CE1-CG 3.83Å; Y288-Q373 HydrophobicContact CE2-CB 3.86Å; Y288-Q373 WeakPolarHBondContact OH-CB 3.35Å; Y288-Q373 VanDerWaalsContact OH-CG 3.31Å; Y288-Q373 WeakPolarHBondContact OH-CG 2.93Å; Y288-G374 CarbonylContact C-O 3.59Å; Y288-G374 WeakPolarHBondContact CA-O 3.36Å; Y288-A375 HydrophobicContact CD2-CB 4.23Å |
| 289 | L | 77.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.5 | -167.4 | -62.9 | 178.4 | 0 | 0 | 0 | 110.9 | T287 K293 A295 I320 A366 N368 Q373 G374 | T287-L289 HydrophobicContact CG2-CG 4.43Å; L289-K293 HydrophobicContact CB-CB 4.44Å; L289-K293 HydrophobicContact CD2-CB 4.3Å; L289-A295 HydrophobicContact CD2-CB 3.93Å; L289-I320 HydrophobicContact CB-CD1 4.41Å; L289-I320 HydrophobicContact CD1-CD1 4.18Å; L289-A366 HydrophobicContact CD1-CB 3.75Å; L289-A366 WeakPolarHBondContact CD1-O 3.06Å; L289-N368 HydrophobicContact CB-CB 3.8Å; L289-N368 HydrophobicContact CD1-CB 4.41Å; L289-N368 PolarHBondContact O-ND2 2.88Å; L289-Q373 CarbonylContact O-C 3.54Å; L289-Q373 VanDerWaalsContact O-CA 3.32Å; L289-Q373 WeakPolarHBondContact O-CA 3.19Å; L289-G374 PolarHBondContact N-O 3.41Å; L289-G374 PolarHBondContact O-N 2.78Å |
| 290 | C | 70.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 27.7 Ų | 27.7 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | trans | -63.8 | 161.4 | 161.9 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | S257 K293 | S257-C290 WeakPolarHBondContact CB-SG 3.1Å; C290-K293 HydrophobicContact CB-CG 4.08Å; C290-K293 WeakPolarHBondContact O-CB 3.5Å; C290-K293 WeakPolarHBondContact O-CG 3.4Å; C290-K293 PolarHBondContact O-N 2.72Å | ||
| 291 | P | 69.7 | Low | 86.9 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 140.6 | 169.9 | -32.1 | 37.5 | 0 | 0 | 0 | 113.2 | K293 G370 A371 | P291-K293 PolarHBondContact O-N 3.06Å; P291-G370 WeakPolarHBondContact CB-O 2.96Å; P291-A371 WeakPolarHBondContact CG-O 3.31Å |
| 292 | N | 69 | Low | 87.1 | Confident | 65 Ų | 65 | 29.3 Ų | 29.3 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 24.4 | 178.6 | -59.5 | -72.2 | 0 | 0 | 0 | 114.8 | L247 N368 | L247-N292 HydrophobicContact CB-CB 4.06Å; L247-N292 PolarHBondContact N-O 3.04Å; N292-N368 WeakPolarHBondContact CA-O 3.02Å; N292-N368 PolarHBondContact N-O 2.91Å |
| 293 | K | 78 | Confident | 87.2 | Confident | 26 Ų | 26 | 26.3 Ų | 26.3 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 163.8 | 174.9 | -53.5 | -58.1 | 169.2 | -168.7 | 0 | 112 | S246 L289 C290 P291 N368 | S246-K293 PolarHBondContact OG-NZ 2.82Å; L289-K293 HydrophobicContact CB-CB 4.44Å; L289-K293 HydrophobicContact CD2-CB 4.3Å; C290-K293 HydrophobicContact CB-CG 4.08Å; C290-K293 WeakPolarHBondContact O-CB 3.5Å; C290-K293 WeakPolarHBondContact O-CG 3.4Å; C290-K293 PolarHBondContact O-N 2.72Å; P291-K293 PolarHBondContact O-N 3.06Å; K293-N368 PolarHBondContact O-N 2.88Å |
| 294 | K | 87 | Confident | 87.1 | Confident | 62 Ų | 62 | 27.1 Ų | 27.1 | 27% | 0.27 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153 | 173.1 | 63.8 | 172.1 | -176.5 | 170.6 | 0 | 111.4 | A366 V367 | K294-A366 CarbonylContact C-O 3.51Å; K294-A366 WeakPolarHBondContact CA-O 3.27Å; K294-A366 VanDerWaalsContact CB-O 3.22Å; K294-A366 WeakPolarHBondContact CB-O 3.27Å; K294-V367 HydrophobicContact CB-CG2 4.21Å |
| 295 | A | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | T287 L289 T365 A366 | T287-A295 HydrophobicContact CG2-CB 4.15Å; T287-A295 WeakPolarHBondContact OG1-CB 3.06Å; L289-A295 HydrophobicContact CD2-CB 3.93Å; A295-T365 WeakPolarHBondContact O-CA 3.49Å; A295-A366 PolarHBondContact N-O 2.86Å; A295-A366 PolarHBondContact O-N 3.14Å |
| 296 | V | 92.5 | Very high | 87.1 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.2 | -177.2 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | N240 T241 T363 T365 | N240-V296 CarbonylContact C-O 3.49Å; N240-V296 WeakPolarHBondContact CA-O 3.48Å; T241-V296 PolarHBondContact N-O 2.97Å; V296-T363 HydrophobicContact CG1-CG2 4.38Å; V296-T365 HydrophobicContact CG2-CG2 3.97Å |
| 297 | L | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.1 | 168.5 | -171.5 | 66 | 0 | 0 | 0 | 107.5 | F231 F235 Y238 W261 T363 F364 L378 | F231-L297 HydrophobicContact CE1-CD2 3.83Å; F231-L297 HydrophobicContact CZ-CD2 3.98Å; F235-L297 HydrophobicContact CD1-CD1 3.78Å; F235-L297 HydrophobicContact CD1-CD2 4.24Å; F235-L297 HydrophobicContact CE1-CD1 4.08Å; F235-L297 HydrophobicContact CE1-CD2 4.42Å; F235-L297 HydrophobicContact CG-CD1 4.35Å; Y238-L297 HydrophobicContact CD1-CD2 4.32Å; Y238-L297 HydrophobicContact CD1-CG 3.94Å; Y238-L297 HydrophobicContact CG-CD2 4.3Å; Y238-L297 HydrophobicContact CG-CG 4.12Å; W261-L297 HydrophobicContact CB-CD1 4.34Å; W261-L297 HydrophobicContact CD2-CB 4.23Å; W261-L297 HydrophobicContact CG-CB 3.92Å; L297-T363 CarbonylContact O-C 3.26Å; L297-T363 VanDerWaalsContact O-CA 3.29Å; L297-T363 WeakPolarHBondContact O-CA 3.5Å; L297-F364 HydrophobicContact CB-CB 4.4Å; L297-F364 PolarHBondContact N-O 3.35Å; L297-F364 PolarHBondContact O-N 3.21Å; L297-L378 HydrophobicContact CD2-CD2 4.04Å |
| 298 | S | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.6 | -177.6 | 70 | 0 | 0 | 0 | 0 | 114.5 | Y238 V239 T241 V362 | Y238-S298 CarbonylContact C-O 3.48Å; Y238-S298 WeakPolarHBondContact CA-O 3.2Å; V239-S298 VanDerWaalsContact CG2-O 3.3Å; V239-S298 WeakPolarHBondContact CG2-O 3.45Å; V239-S298 PolarHBondContact N-O 2.88Å; V239-S298 PolarHBondContact O-N 3.35Å; T241-S298 VanDerWaalsContact CG2-OG 3.23Å; T241-S298 WeakPolarHBondContact CG2-OG 3.49Å; T241-S298 VanDerWaalsContact OG1-CB 3.29Å; T241-S298 WeakPolarHBondContact OG1-CB 3.37Å; T241-S298 PolarHBondContact OG1-OG 2.79Å; S298-V362 CarbonylContact C-O 3.6Å; S298-V362 WeakPolarHBondContact CA-O 3.48Å; S298-V362 WeakPolarHBondContact CB-O 3.18Å |
| 299 | A | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K226 L227 Y238 V362 | K226-A299 VanDerWaalsContact O-CB 3.31Å; K226-A299 WeakPolarHBondContact O-CB 3.45Å; L227-A299 HydrophobicContact CD2-CB 4.3Å; Y238-A299 HydrophobicContact CD1-CB 3.61Å; Y238-A299 HydrophobicContact CD2-CB 4.35Å; Y238-A299 HydrophobicContact CE1-CB 3.58Å; Y238-A299 HydrophobicContact CE2-CB 4.33Å; Y238-A299 HydrophobicContact CG-CB 3.98Å; A299-V362 PolarHBondContact N-O 3.43Å; A299-V362 PolarHBondContact O-N 3.32Å |
| 300 | D | 93.6 | Very high | 89 | Confident | 101 Ų | 101 | 39.8 Ų | 39.8 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.4 | 173.3 | -61.5 | -67 | 0 | 0 | 0 | 109.3 | K226 N360 K361 | K226-D300 WeakPolarHBondContact CG-O 3.44Å; D300-N360 WeakPolarHBondContact CA-O 3.35Å; D300-K361 WeakPolarHBondContact OD1-CB 3.41Å; D300-K361 WeakPolarHBondContact OD1-CG 3.05Å |
| 301 | S | 92.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156.3 | -177 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | E223 N360 | E223-S301 WeakPolarHBondContact CA-OG 3.34Å; S301-N360 PolarHBondContact N-O 2.61Å; S301-N360 PolarHBondContact O-N 2.96Å; S301-N360 VanDerWaalsContact O-O 3.13Å |
| 302 | E | 92.2 | Very high | 91.5 | Very high | 137 Ų | 137 | 38.6 Ų | 38.6 | 64% | 0.64 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.9 | 169 | -171 | 168.4 | -171.5 | 0 | 0 | 109.1 | ||
| 303 | L | 91.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.5 | -177.2 | -62.6 | -176.4 | 0 | 0 | 0 | 110.2 | E223 L227 E305 R307 C355 G358 | E223-L303 HydrophobicContact CB-CD2 3.87Å; E223-L303 VanDerWaalsContact OE2-CD2 3.3Å; E223-L303 WeakPolarHBondContact OE2-CD2 3.38Å; L227-L303 HydrophobicContact CD1-CD2 3.67Å; L303-E305 VanDerWaalsContact C-N 3.29Å; L303-E305 PolarHBondContact O-N 2.79Å; L303-R307 HydrophobicContact CD1-CB 4.07Å; L303-R307 HydrophobicContact CD1-CG 4.11Å; L303-R307 HydrophobicContact CD2-CG 4.03Å; L303-R307 HydrophobicContact CG-CG 4.5Å; L303-C355 HydrophobicContact CD1-CB 3.48Å; L303-C355 VanDerWaalsContact CD1-CB 3.48Å; L303-G358 PolarHBondContact N-O 2.82Å; L303-G358 PolarHBondContact O-N 3.48Å |
| 304 | A | 89.3 | Confident | 93.4 | Very high | 89 Ų | 89 | 36.2 Ų | 36.2 | 74% | 0.736 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -68.9 | -29.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 305 | E | 92 | Very high | 93.5 | Very high | 101 Ų | 101 | 33.7 Ų | 33.7 | 47% | 0.472 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -152.1 | -176.4 | 179.4 | 65.8 | -166 | 155.2 | 0 | 0 | 109 | L303 R307 | L303-E305 VanDerWaalsContact C-N 3.29Å; L303-E305 PolarHBondContact O-N 2.79Å; E305-R307 IonicContact OE1-CZ 3.58Å; E305-R307 VanDerWaalsContact OE1-CZ 3.31Å; E305-R307 IonicContact OE1-NH1 3.06Å; E305-R307 PolarHBondContact OE1-NH1 2.83Å; E305-R307 IonicContact OE1-NH2 3.15Å; E305-R307 PolarHBondContact OE1-NH2 2.86Å |
| 306 | E | 93.7 | Very high | 92.8 | Very high | 94 Ų | 94 | 33.7 Ų | 33.7 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | trans | -66.3 | 136.9 | 177.4 | -168.1 | -178 | 85.9 | 0 | 0 | 111.9 | V354 C355 S386 | E306-V354 HydrophobicContact CG-CG1 3.59Å; E306-C355 WeakPolarHBondContact CA-O 3.23Å; E306-C355 WeakPolarHBondContact CG-O 3.32Å; E306-S386 VanDerWaalsContact OE1-CB 3.27Å; E306-S386 WeakPolarHBondContact OE1-CB 3.26Å; E306-S386 PolarHBondContact OE1-OG 2.96Å | ||
| 307 | R | 94.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.6 | 179.9 | -65.8 | -66.5 | -179 | -122.6 | 0.7 | 111.6 | E223 L303 E305 C355 V383 Y384 | E223-R307 IonicContact OE1-CZ 3.67Å; E223-R307 IonicContact OE1-NE 2.7Å; E223-R307 PolarHBondContact OE1-NE 2.85Å; E223-R307 VanDerWaalsContact OE1-NE 3.12Å; E223-R307 IonicContact OE1-NH2 3.31Å; E223-R307 PolarHBondContact OE1-NH2 2.93Å; E223-R307 VanDerWaalsContact OE1-NH2 3.15Å; E223-R307 IonicContact OE2-NE 3.48Å; L303-R307 HydrophobicContact CD1-CB 4.07Å; L303-R307 HydrophobicContact CD1-CG 4.11Å; L303-R307 HydrophobicContact CD2-CG 4.03Å; L303-R307 HydrophobicContact CG-CG 4.5Å; E305-R307 IonicContact OE1-CZ 3.58Å; E305-R307 VanDerWaalsContact OE1-CZ 3.31Å; E305-R307 IonicContact OE1-NH1 3.06Å; E305-R307 PolarHBondContact OE1-NH1 2.83Å; E305-R307 IonicContact OE1-NH2 3.15Å; E305-R307 PolarHBondContact OE1-NH2 2.86Å; R307-C355 PolarHBondContact N-O 3Å; R307-C355 PolarHBondContact O-N 2.95Å; R307-V383 HydrophobicContact CB-CG1 4.02Å; R307-V383 HydrophobicContact CG-CG1 3.9Å; R307-Y384 WeakPolarHBondContact CD-O 3.26Å |
| 308 | V | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.5 | 166 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | R310 N352 M353 Y384 P390 A393 | V308-R310 HydrophobicContact CG1-CG 4.08Å; V308-N352 HydrophobicContact CG1-CB 4.06Å; V308-M353 CarbonylContact C-O 3.47Å; V308-M353 WeakPolarHBondContact CA-O 3.27Å; V308-Y384 PolarHBondContact N-O 3.18Å; V308-Y384 PolarHBondContact O-N 3.27Å; V308-P390 HydrophobicContact CG1-CB 4.05Å; V308-P390 HydrophobicContact CG2-CB 4.12Å; V308-A393 HydrophobicContact CB-CB 3.95Å; V308-A393 HydrophobicContact CG1-CB 4.03Å; V308-A393 HydrophobicContact CG2-CB 4Å |
| 309 | I | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.1 | 171.7 | -58.6 | -175.7 | 0 | 0 | 0 | 107.3 | L227 F311 N352 M353 C355 V362 V381 K382 | L227-I309 HydrophobicContact CD1-CD1 3.93Å; L227-I309 HydrophobicContact CD2-CD1 4.38Å; I309-F311 HydrophobicContact CG2-CD1 4.49Å; I309-N352 CarbonylContact O-C 3.57Å; I309-N352 VanDerWaalsContact O-CA 3.3Å; I309-N352 WeakPolarHBondContact O-CA 3.13Å; I309-M353 HydrophobicContact CB-CE 3.92Å; I309-M353 HydrophobicContact CB-CG 3.98Å; I309-M353 HydrophobicContact CD1-CE 4.14Å; I309-M353 HydrophobicContact CG2-CE 3.75Å; I309-M353 PolarHBondContact N-O 3.45Å; I309-M353 PolarHBondContact O-N 3.22Å; I309-C355 WeakPolarHBondContact CD1-SG 2.99Å; I309-V362 HydrophobicContact CD1-CG1 3.95Å; I309-V362 HydrophobicContact CD1-CG2 3.88Å; I309-V381 HydrophobicContact CG2-CG1 3.49Å; I309-V381 VanDerWaalsContact CG2-CG1 3.49Å; I309-K382 WeakPolarHBondContact CA-O 3.36Å |
| 310 | R | 95.9 | Very high | 89.3 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 22% | 0.223 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 150.4 | 174.1 | -62.4 | -179 | 60.6 | 168.9 | -0.8 | 109.4 | V308 G351 N352 V381 K382 Y384 A393 | V308-R310 HydrophobicContact CG1-CG 4.08Å; R310-G351 WeakPolarHBondContact CA-O 3.39Å; R310-N352 HydrophobicContact CG-CB 4.15Å; R310-V381 WeakPolarHBondContact O-CA 3.27Å; R310-K382 PolarHBondContact N-O 3.16Å; R310-K382 PolarHBondContact O-N 2.91Å; R310-Y384 HydrophobicContact CB-CD2 3.93Å; R310-Y384 HydrophobicContact CB-CE2 3.7Å; R310-Y384 HydrophobicContact CG-CD2 3.7Å; R310-Y384 HydrophobicContact CG-CE2 3.86Å; R310-Y384 HydrophobicContact CG-CG 4.41Å; R310-A393 PolarHBondContact NH1-O 3.3Å |
| 311 | F | 97 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 153.7 | -177.1 | 51 | -85.9 | 0 | 0 | 0 | 110.1 | I309 Y313 L322 F335 G351 M353 F364 L378 D380 V381 | I309-F311 HydrophobicContact CG2-CD1 4.49Å; F311-Y313 HydrophobicContact CD2-CD1 4.45Å; F311-Y313 HydrophobicContact CE2-CD1 4.14Å; F311-L322 HydrophobicContact CE2-CD2 4.2Å; F311-F335 HydrophobicContact CE2-CD1 4.14Å; F311-F335 AromaticContact CE2-CE1 3.81Å; F311-F335 HydrophobicContact CE2-CE1 3.81Å; F311-F335 HydrophobicContact CE2-CE2 4.44Å; F311-F335 AromaticContact CE2-CZ 3.97Å; F311-F335 HydrophobicContact CE2-CZ 3.97Å; F311-F335 HydrophobicContact CZ-CB 4.43Å; F311-F335 AromaticContact CZ-CD1 3.63Å; F311-F335 HydrophobicContact CZ-CD1 3.63Å; F311-F335 HydrophobicContact CZ-CD2 4Å; F311-F335 AromaticContact CZ-CE1 3.76Å; F311-F335 HydrophobicContact CZ-CE1 3.76Å; F311-F335 HydrophobicContact CZ-CE2 4.13Å; F311-F335 AromaticContact CZ-CG 3.75Å; F311-F335 HydrophobicContact CZ-CG 3.75Å; F311-F335 HydrophobicContact CZ-CZ 4.01Å; F311-G351 PolarHBondContact N-O 3.3Å; F311-G351 VanDerWaalsContact N-O 3.11Å; F311-G351 PolarHBondContact O-N 3.36Å; F311-M353 HydrophobicContact CE1-CE 4.34Å; F311-M353 HydrophobicContact CE1-CG 4.18Å; F311-M353 HydrophobicContact CE1-SD 4.44Å; F311-F364 HydrophobicContact CB-CE1 4.49Å; F311-F364 HydrophobicContact CB-CZ 4.47Å; F311-F364 AromaticContact CD1-CE1 3.61Å; F311-F364 HydrophobicContact CD1-CE1 3.61Å; F311-F364 AromaticContact CD1-CZ 3.96Å; F311-F364 HydrophobicContact CD1-CZ 3.96Å; F311-F364 AromaticContact CD2-CE1 3.98Å; F311-F364 HydrophobicContact CD2-CE1 3.98Å; F311-F364 AromaticContact CE1-CE1 3.73Å; F311-F364 HydrophobicContact CE1-CE1 3.73Å; F311-F364 HydrophobicContact CE1-CZ 4.42Å; F311-F364 HydrophobicContact CE2-CE1 4.07Å; F311-F364 AromaticContact CG-CE1 3.76Å; F311-F364 HydrophobicContact CG-CE1 3.76Å; F311-F364 HydrophobicContact CG-CZ 4.15Å; F311-F364 AromaticContact CZ-CE1 3.94Å; F311-F364 HydrophobicContact CZ-CE1 3.94Å; F311-L378 HydrophobicContact CB-CD1 4.07Å; F311-L378 HydrophobicContact CD2-CD1 3.54Å; F311-L378 HydrophobicContact CE2-CD1 4.3Å; F311-L378 HydrophobicContact CG-CD1 4.02Å; F311-D380 WeakPolarHBondContact CA-O 3.32Å; F311-V381 HydrophobicContact CB-CG2 4.08Å |
| 312 | N | 96.4 | Very high | 89.3 | Confident | 33 Ų | 33 | 36.6 Ų | 36.6 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 137.6 | 167.7 | -74.4 | -32.2 | 0 | 0 | 0 | 108.9 | A279 W348 L378 D379 D380 | A279-N312 HydrophobicContact CB-CB 3.53Å; A279-N312 WeakPolarHBondContact CB-ND2 3.04Å; N312-W348 HydrophobicContact CB-CE3 4.12Å; N312-W348 HydrophobicContact CB-CZ3 4.42Å; N312-L378 CarbonylContact O-C 3.57Å; N312-L378 WeakPolarHBondContact O-CA 3.23Å; N312-D379 HydrophobicContact CB-CB 3.98Å; N312-D379 PolarHBondContact N-O 3.12Å; N312-D379 PolarHBondContact O-N 3.39Å; N312-D380 HydrophobicContact CB-CB 4.31Å; N312-D380 WeakPolarHBondContact ND2-CB 3.45Å; N312-D380 PolarHBondContact ND2-OD2 2.89Å |
| 313 | Y | 95.4 | Very high | 89.5 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.4 | 174.7 | 75.6 | -85.5 | 0 | 0 | 0 | 111.6 | F311 L322 F335 T337 W348 K349 G377 | F311-Y313 HydrophobicContact CD2-CD1 4.45Å; F311-Y313 HydrophobicContact CE2-CD1 4.14Å; Y313-L322 HydrophobicContact CD2-CD2 4.42Å; Y313-L322 HydrophobicContact CG-CD2 4.12Å; Y313-F335 AromaticContact CD1-CZ 3.85Å; Y313-F335 HydrophobicContact CD1-CZ 3.85Å; Y313-F335 HydrophobicContact CE1-CE2 4.12Å; Y313-F335 AromaticContact CE1-CZ 3.63Å; Y313-F335 HydrophobicContact CE1-CZ 3.63Å; Y313-F335 HydrophobicContact CE2-CZ 4.44Å; Y313-F335 HydrophobicContact CG-CZ 4.35Å; Y313-F335 AromaticContact CZ-CZ 3.95Å; Y313-T337 HydrophobicContact CD2-CG2 3.91Å; Y313-T337 HydrophobicContact CE2-CG2 3.48Å; Y313-T337 VanDerWaalsContact CE2-CG2 3.48Å; Y313-W348 WeakPolarHBondContact O-CA 3.12Å; Y313-K349 HydrophobicContact CD1-CB 4.26Å; Y313-K349 WeakPolarHBondContact CD1-O 3.4Å; Y313-K349 HydrophobicContact CE1-CB 3.63Å; Y313-K349 HydrophobicContact CE2-CB 4.14Å; Y313-K349 PolarHBondContact N-O 2.78Å; Y313-K349 PolarHBondContact O-N 3.15Å; Y313-G377 CarbonylContact C-O 3.54Å; Y313-G377 VanDerWaalsContact CA-O 3.31Å; Y313-G377 WeakPolarHBondContact CA-O 3.47Å |
| 314 | Y | 92.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.6 | 174.7 | -170.9 | -78.8 | 0 | 0 | 0 | 109 | T273 G274 L275 A316 R346 W348 V376 G377 | T273-Y314 VanDerWaalsContact O-CE1 3.27Å; T273-Y314 WeakPolarHBondContact O-CE1 3.39Å; T273-Y314 PolarHBondContact O-OH 2.87Å; G274-Y314 WeakPolarHBondContact CA-OH 3.33Å; G274-Y314 PolarHBondContact O-OH 2.78Å; L275-Y314 HydrophobicContact CB-CD1 4.18Å; L275-Y314 HydrophobicContact CB-CE1 4.02Å; L275-Y314 HydrophobicContact CD1-CD1 3.88Å; L275-Y314 HydrophobicContact CD1-CD2 3.73Å; L275-Y314 HydrophobicContact CD1-CE1 4.31Å; L275-Y314 HydrophobicContact CD1-CE2 4.16Å; L275-Y314 HydrophobicContact CD1-CG 3.58Å; L275-Y314 HydrophobicContact CD2-CD1 4.31Å; L275-Y314 HydrophobicContact CG-CD1 4.35Å; L275-Y314 HydrophobicContact CG-CG 4.5Å; Y314-A316 HydrophobicContact CD1-CB 4.49Å; Y314-A316 HydrophobicContact CE1-CB 4.22Å; Y314-R346 VanDerWaalsContact CE2-C 3.43Å; Y314-R346 WeakPolarHBondContact CE2-O 3.44Å; Y314-R346 VanDerWaalsContact CZ-C 3.45Å; Y314-R346 WeakPolarHBondContact OH-CB 3.4Å; Y314-R346 PolarHBondContact OH-O 3.45Å; Y314-W348 HydrophobicContact CD2-CD2 4.12Å; Y314-W348 HydrophobicContact CD2-CG 4.04Å; Y314-W348 HydrophobicContact CG-CD2 4.48Å; Y314-V376 CarbonylContact O-C 3.42Å; Y314-V376 VanDerWaalsContact O-CA 3.3Å; Y314-V376 WeakPolarHBondContact O-CA 3.46Å; Y314-G377 PolarHBondContact N-O 2.92Å; Y314-G377 PolarHBondContact O-N 2.72Å |
| 315 | K | 87.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 27 Ų | 27 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.5 | 179.3 | -171.9 | -169.1 | 173 | -165.8 | 0 | 110 | I320 P338 I339 D340 V341 | K315-I320 WeakPolarHBondContact CE-O 3.01Å; K315-I320 HydrophobicContact CG-CG2 3.87Å; K315-I320 PolarHBondContact NZ-O 3.13Å; K315-P338 PolarHBondContact NZ-O 2.96Å; K315-I339 PolarHBondContact NZ-O 3.48Å; K315-D340 PolarHBondContact NZ-O 2.96Å; K315-V341 HydrophobicContact CD-CG2 3.52Å; K315-V341 HydrophobicContact CG-CG2 3.96Å |
| 316 | A | 76.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -91.4 | -35.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116 | T273 Y314 R346 A375 | T273-A316 HydrophobicContact CG2-CB 4.45Å; T273-A316 VanDerWaalsContact O-CB 3.22Å; T273-A316 WeakPolarHBondContact O-CB 3.33Å; Y314-A316 HydrophobicContact CD1-CB 4.49Å; Y314-A316 HydrophobicContact CE1-CB 4.22Å; A316-R346 PolarHBondContact O-NE 2.81Å; A316-R346 PolarHBondContact O-NH1 2.63Å; A316-R346 PolarHBondContact O-NH2 3.38Å; A316-A375 HydrophobicContact CB-CB 3.81Å; A316-A375 VanDerWaalsContact CB-O 3.22Å; A316-A375 WeakPolarHBondContact CB-O 3.08Å; A316-A375 PolarHBondContact N-O 3.09Å; A316-A375 VanDerWaalsContact N-O 3.07Å | ||
| 317 | T | 72 | Confident | 90.2 | Very high | 19 Ų | 19 | 17.8 Ų | 17.8 | 12% | 0.117 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -142.1 | 156.1 | -166.4 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | I320 V341 Q373 G374 | T317-I320 WeakPolarHBondContact O-CG2 3.33Å; T317-V341 VanDerWaalsContact C-CG2 3.43Å; T317-V341 WeakPolarHBondContact O-CG2 3.32Å; T317-Q373 PolarHBondContact OG1-O 3.29Å; T317-G374 WeakPolarHBondContact OG1-CA 3.23Å |
| 318 | Q | 72.9 | Confident | 90 | Very high | 122 Ų | 122 | 20.9 Ų | 20.9 | 57% | 0.57 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 141.1 | 172.3 | -164.8 | -179.4 | 21.7 | 0 | 0 | 110.5 | I320 D340 | Q318-I320 VanDerWaalsContact C-N 3.29Å; Q318-I320 PolarHBondContact O-N 2.85Å; Q318-D340 PolarHBondContact NE2-OD1 3.16Å |
| 319 | G | 71.9 | Confident | 89.8 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -15.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | I339 S369 G370 | G319-I339 PolarHBondContact N-O 2.73Å; G319-S369 PolarHBondContact O-N 2.83Å; G319-G370 PolarHBondContact O-N 3.39Å |
| 320 | I | 85.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 154.3 | 165 | -150.3 | 161.2 | 0 | 0 | 0 | 110.7 | L289 K315 T317 Q318 V367 N368 G374 V376 | L289-I320 HydrophobicContact CB-CD1 4.41Å; L289-I320 HydrophobicContact CD1-CD1 4.18Å; K315-I320 WeakPolarHBondContact CE-O 3.01Å; K315-I320 HydrophobicContact CG-CG2 3.87Å; K315-I320 PolarHBondContact NZ-O 3.13Å; T317-I320 WeakPolarHBondContact O-CG2 3.33Å; Q318-I320 VanDerWaalsContact C-N 3.29Å; Q318-I320 PolarHBondContact O-N 2.85Å; I320-V367 CarbonylContact C-O 3.57Å; I320-V367 VanDerWaalsContact CA-O 3.29Å; I320-V367 WeakPolarHBondContact CA-O 3.33Å; I320-V367 WeakPolarHBondContact CG1-O 3.1Å; I320-N368 HydrophobicContact CD1-CB 4.38Å; I320-N368 HydrophobicContact CG1-CB 4.16Å; I320-G374 WeakPolarHBondContact CD1-O 3.22Å; I320-V376 HydrophobicContact CD1-CG2 3.85Å; I320-V376 HydrophobicContact CG1-CG2 3.98Å; I320-V376 HydrophobicContact CG2-CG2 4.11Å |
| 321 | Q | 91.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 30.4 Ų | 30.4 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136 | 175 | 178.9 | 172.4 | 74.7 | 0 | 0 | 109.6 | I323 T337 A366 V367 | Q321-I323 HydrophobicContact CG-CD1 4.48Å; Q321-I323 HydrophobicContact CG-CG1 3.86Å; Q321-T337 WeakPolarHBondContact CA-OG1 3.21Å; Q321-T337 WeakPolarHBondContact CG-O 3.3Å; Q321-T337 PolarHBondContact NE2-O 2.89Å; Q321-A366 CarbonylContact O-C 3.08Å; Q321-A366 WeakPolarHBondContact O-CA 3.16Å; Q321-V367 PolarHBondContact N-O 3.48Å; Q321-V367 PolarHBondContact O-N 2.92Å |
| 322 | L | 95.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.1 | 164.9 | 177.4 | 60 | 0 | 0 | 0 | 109.2 | W261 F311 Y313 F335 K336 T337 F364 V376 L378 | W261-L322 HydrophobicContact CH2-CD1 4.07Å; W261-L322 HydrophobicContact CZ2-CD1 4.18Å; F311-L322 HydrophobicContact CE2-CD2 4.2Å; Y313-L322 HydrophobicContact CD2-CD2 4.42Å; Y313-L322 HydrophobicContact CG-CD2 4.12Å; L322-F335 HydrophobicContact CB-CE1 4.45Å; L322-F335 HydrophobicContact CD2-CE1 4.12Å; L322-F335 HydrophobicContact CG-CE1 4.08Å; L322-K336 WeakPolarHBondContact O-CA 3.19Å; L322-T337 HydrophobicContact CB-CG2 3.95Å; L322-T337 PolarHBondContact N-OG1 2.83Å; L322-T337 PolarHBondContact O-N 2.85Å; L322-F364 HydrophobicContact CD1-CB 4.21Å; L322-V376 HydrophobicContact CB-CG1 3.99Å; L322-V376 HydrophobicContact CB-CG2 4.41Å; L322-V376 HydrophobicContact CD1-CG1 4.15Å; L322-V376 HydrophobicContact CD2-CG1 3.92Å; L322-V376 HydrophobicContact CG-CG1 4.23Å; L322-L378 HydrophobicContact CD2-CD1 4.39Å |
| 323 | I | 96 | Very high | 89.1 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126 | -179.8 | -54.3 | 177.9 | 0 | 0 | 0 | 108.5 | Q321 C325 C333 F335 K336 T365 V367 | Q321-I323 HydrophobicContact CG-CD1 4.48Å; Q321-I323 HydrophobicContact CG-CG1 3.86Å; I323-C325 VanDerWaalsContact CG2-SG 3.54Å; I323-C333 HydrophobicContact CG2-CB 4.27Å; I323-F335 WeakPolarHBondContact CA-O 3.28Å; I323-K336 HydrophobicContact CB-CG 4.45Å; I323-K336 HydrophobicContact CG1-CD 4.49Å; I323-K336 HydrophobicContact CG1-CG 4.18Å; I323-K336 HydrophobicContact CG2-CD 4.49Å; I323-K336 HydrophobicContact CG2-CG 4.04Å; I323-T365 PolarHBondContact N-O 2.73Å; I323-T365 PolarHBondContact O-N 2.78Å; I323-V367 HydrophobicContact CD1-CG2 4.06Å |
| 324 | G | 96.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C333 T334 F335 T363 | G324-C333 CarbonylContact O-C 3.58Å; G324-C333 WeakPolarHBondContact O-CA 3.04Å; G324-T334 PolarHBondContact O-N 3.13Å; G324-F335 PolarHBondContact N-O 3.16Å; G324-F335 PolarHBondContact O-N 3.41Å; G324-T363 WeakPolarHBondContact CA-O 3.14Å |
| 325 | C | 96.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.9 | 178.8 | -44.3 | 0 | 0 | 0 | 0 | 112.7 | I323 A330 V332 C333 V362 T363 | I323-C325 VanDerWaalsContact CG2-SG 3.54Å; C325-A330 HydrophobicContact CB-CB 4.29Å; C325-A330 VanDerWaalsContact CB-O 3.27Å; C325-A330 WeakPolarHBondContact CB-O 3.43Å; C325-V332 CarbonylContact C-O 3.58Å; C325-V332 VanDerWaalsContact CA-O 3.29Å; C325-V332 WeakPolarHBondContact CA-O 3.33Å; C325-C333 HydrophobicContact CB-CB 3.94Å; C325-C333 WeakPolarHBondContact CB-SG 3.5Å; C325-C333 WeakPolarHBondContact SG-CB 3.06Å; C325-C333 CovalentContact SG-SG 2.04Å; C325-C333 PolarHBondContact SG-SG 3.25Å; C325-V362 CarbonylContact O-C 3.59Å; C325-V362 WeakPolarHBondContact O-CA 3.09Å; C325-T363 PolarHBondContact N-O 3.37Å; C325-T363 PolarHBondContact O-N 2.89Å |
| 326 | C | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -167.9 | 173.3 | -32.4 | 0 | 0 | 0 | 0 | 111.1 | A330 D331 V332 C355 N360 | C326-A330 CarbonylContact O-C 3.58Å; C326-A330 VanDerWaalsContact O-C 3.26Å; C326-A330 VanDerWaalsContact O-CA 3.26Å; C326-A330 WeakPolarHBondContact O-CA 3.34Å; C326-D331 PolarHBondContact O-N 2.97Å; C326-D331 VanDerWaalsContact O-N 3.09Å; C326-V332 PolarHBondContact N-O 3.33Å; C326-V332 WeakPolarHBondContact O-CB 3.26Å; C326-V332 PolarHBondContact O-N 3.39Å; C326-C355 HydrophobicContact CB-CB 3.45Å; C326-C355 VanDerWaalsContact CB-CB 3.45Å; C326-C355 WeakPolarHBondContact CB-SG 3.15Å; C326-C355 WeakPolarHBondContact SG-CA 3.32Å; C326-C355 WeakPolarHBondContact SG-CB 3.32Å; C326-C355 CovalentContact SG-SG 2.04Å; C326-C355 PolarHBondContact SG-SG 2.82Å; C326-N360 WeakPolarHBondContact CB-OD1 3.46Å |
| 327 | G | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 91.7 | 168.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N329 A330 N360 K361 | G327-N329 PolarHBondContact O-N 2.03Å; G327-A330 PolarHBondContact O-N 2.86Å; G327-A330 VanDerWaalsContact O-N 3.12Å; G327-N360 WeakPolarHBondContact CA-OD1 3.33Å; G327-N360 PolarHBondContact N-OD1 3.45Å; G327-K361 PolarHBondContact O-N 2.84Å |
| 328 | P | 90.7 | Very high | 91.1 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | -171.9 | -23.8 | 33 | 0 | 0 | 0 | 114.4 | P359 | P328-P359 WeakPolarHBondContact CA-O 3.18Å; P328-P359 HydrophobicContact CG-CG 4.42Å; P328-P359 WeakPolarHBondContact CG-O 3.08Å |
| 329 | N | 90.6 | Very high | 91.3 | Very high | 138 Ų | 138 | 43.3 Ų | 43.3 | 74% | 0.738 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122 | 17.6 | 179.2 | -59.5 | -76.7 | 0 | 0 | 0 | 112.9 | G327 D331 | G327-N329 PolarHBondContact O-N 2.03Å; N329-D331 PolarHBondContact N-OD1 3.18Å; N329-D331 PolarHBondContact O-N 2.82Å |
| 330 | A | 91.4 | Very high | 91.1 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 57.2 | 35.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | C325 C326 G327 K361 T363 | C325-A330 HydrophobicContact CB-CB 4.29Å; C325-A330 VanDerWaalsContact CB-O 3.27Å; C325-A330 WeakPolarHBondContact CB-O 3.43Å; C326-A330 CarbonylContact O-C 3.58Å; C326-A330 VanDerWaalsContact O-C 3.26Å; C326-A330 VanDerWaalsContact O-CA 3.26Å; C326-A330 WeakPolarHBondContact O-CA 3.34Å; G327-A330 PolarHBondContact O-N 2.86Å; G327-A330 VanDerWaalsContact O-N 3.12Å; A330-K361 HydrophobicContact CB-CB 4.47Å; A330-K361 HydrophobicContact CB-CG 4.4Å; A330-K361 WeakPolarHBondContact CB-O 3.2Å; A330-T363 HydrophobicContact CB-CG2 3.46Å; A330-T363 VanDerWaalsContact CB-CG2 3.46Å |
| 331 | D | 92 | Very high | 90.1 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | trans | -89.4 | -15.9 | -173.8 | 51.9 | -53.7 | 0 | 0 | 0 | 114.4 | C326 N329 C333 | C326-D331 PolarHBondContact O-N 2.97Å; C326-D331 VanDerWaalsContact O-N 3.09Å; N329-D331 PolarHBondContact N-OD1 3.18Å; N329-D331 PolarHBondContact O-N 2.82Å; D331-C333 PolarHBondContact O-N 3.13Å | ||
| 332 | V | 93.2 | Very high | 88.6 | Confident | 52 Ų | 52 | 53 Ų | 53 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 84.5 | -179.6 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | C325 C326 T334 | C325-V332 CarbonylContact C-O 3.58Å; C325-V332 VanDerWaalsContact CA-O 3.29Å; C325-V332 WeakPolarHBondContact CA-O 3.33Å; C326-V332 PolarHBondContact N-O 3.33Å; C326-V332 WeakPolarHBondContact O-CB 3.26Å; C326-V332 PolarHBondContact O-N 3.39Å; V332-T334 HydrophobicContact CG1-CG2 4.09Å; V332-T334 PolarHBondContact O-N 3.02Å |
| 333 | C | 95.5 | Very high | 86.8 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 81.1 | -176 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | I323 G324 C325 D331 | I323-C333 HydrophobicContact CG2-CB 4.27Å; G324-C333 CarbonylContact O-C 3.58Å; G324-C333 WeakPolarHBondContact O-CA 3.04Å; C325-C333 HydrophobicContact CB-CB 3.94Å; C325-C333 WeakPolarHBondContact CB-SG 3.5Å; C325-C333 WeakPolarHBondContact SG-CB 3.06Å; C325-C333 CovalentContact SG-SG 2.04Å; C325-C333 PolarHBondContact SG-SG 3.25Å; D331-C333 PolarHBondContact O-N 3.13Å |
| 334 | T | 94.7 | Very high | 85.1 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -15.6 | -177.6 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | G324 V332 M353 V354 | G324-T334 PolarHBondContact O-N 3.13Å; V332-T334 HydrophobicContact CG1-CG2 4.09Å; V332-T334 PolarHBondContact O-N 3.02Å; T334-M353 WeakPolarHBondContact OG1-CA 3.49Å; T334-M353 WeakPolarHBondContact OG1-CB 3.5Å; T334-V354 HydrophobicContact CG2-CB 4.43Å; T334-V354 PolarHBondContact OG1-N 2.93Å |
| 335 | F | 96.3 | Very high | 83.6 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.6 | 177.8 | -178.9 | -95 | 0 | 0 | 0 | 112.4 | F311 Y313 L322 I323 G324 T337 N352 M353 | F311-F335 HydrophobicContact CE2-CD1 4.14Å; F311-F335 AromaticContact CE2-CE1 3.81Å; F311-F335 HydrophobicContact CE2-CE1 3.81Å; F311-F335 HydrophobicContact CE2-CE2 4.44Å; F311-F335 AromaticContact CE2-CZ 3.97Å; F311-F335 HydrophobicContact CE2-CZ 3.97Å; F311-F335 HydrophobicContact CZ-CB 4.43Å; F311-F335 AromaticContact CZ-CD1 3.63Å; F311-F335 HydrophobicContact CZ-CD1 3.63Å; F311-F335 HydrophobicContact CZ-CD2 4Å; F311-F335 AromaticContact CZ-CE1 3.76Å; F311-F335 HydrophobicContact CZ-CE1 3.76Å; F311-F335 HydrophobicContact CZ-CE2 4.13Å; F311-F335 AromaticContact CZ-CG 3.75Å; F311-F335 HydrophobicContact CZ-CG 3.75Å; F311-F335 HydrophobicContact CZ-CZ 4.01Å; Y313-F335 AromaticContact CD1-CZ 3.85Å; Y313-F335 HydrophobicContact CD1-CZ 3.85Å; Y313-F335 HydrophobicContact CE1-CE2 4.12Å; Y313-F335 AromaticContact CE1-CZ 3.63Å; Y313-F335 HydrophobicContact CE1-CZ 3.63Å; Y313-F335 HydrophobicContact CE2-CZ 4.44Å; Y313-F335 HydrophobicContact CG-CZ 4.35Å; Y313-F335 AromaticContact CZ-CZ 3.95Å; L322-F335 HydrophobicContact CB-CE1 4.45Å; L322-F335 HydrophobicContact CD2-CE1 4.12Å; L322-F335 HydrophobicContact CG-CE1 4.08Å; I323-F335 WeakPolarHBondContact CA-O 3.28Å; G324-F335 PolarHBondContact N-O 3.16Å; G324-F335 PolarHBondContact O-N 3.41Å; F335-T337 HydrophobicContact CE1-CG2 3.92Å; F335-T337 HydrophobicContact CZ-CG2 3.9Å; F335-N352 WeakPolarHBondContact CB-O 3.35Å; F335-N352 WeakPolarHBondContact CD2-O 3.3Å; F335-M353 HydrophobicContact CB-CB 3.98Å |
| 336 | K | 94.9 | Very high | 82.5 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 131 | 168.5 | -62.7 | -172.6 | -177.4 | 176.8 | 0 | 109.8 | L322 I323 | L322-K336 WeakPolarHBondContact O-CA 3.19Å; I323-K336 HydrophobicContact CB-CG 4.45Å; I323-K336 HydrophobicContact CG1-CD 4.49Å; I323-K336 HydrophobicContact CG1-CG 4.18Å; I323-K336 HydrophobicContact CG2-CD 4.49Å; I323-K336 HydrophobicContact CG2-CG 4.04Å |
| 337 | T | 92.3 | Very high | 81.8 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | trans | -68.9 | 157.4 | 166.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | Y313 Q321 L322 F335 | Y313-T337 HydrophobicContact CD2-CG2 3.91Å; Y313-T337 HydrophobicContact CE2-CG2 3.48Å; Y313-T337 VanDerWaalsContact CE2-CG2 3.48Å; Q321-T337 WeakPolarHBondContact CA-OG1 3.21Å; Q321-T337 WeakPolarHBondContact CG-O 3.3Å; Q321-T337 PolarHBondContact NE2-O 2.89Å; L322-T337 HydrophobicContact CB-CG2 3.95Å; L322-T337 PolarHBondContact N-OG1 2.83Å; L322-T337 PolarHBondContact O-N 2.85Å; F335-T337 HydrophobicContact CE1-CG2 3.92Å; F335-T337 HydrophobicContact CZ-CG2 3.9Å | ||
| 338 | P | 86.4 | Confident | 81.6 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | trans | -52.7 | 162.4 | 162.7 | -24.9 | 35.4 | 0 | 0 | 0 | 111.6 | K315 | K315-P338 PolarHBondContact NZ-O 2.96Š| ||
| 339 | I | 76.8 | Confident | 81.7 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 43% | 0.431 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.6 | -37.3 | 172.9 | -63.9 | 178.6 | 0 | 0 | 0 | 110.1 | K315 G319 | K315-I339 PolarHBondContact NZ-O 3.48Å; G319-I339 PolarHBondContact N-O 2.73Å |
| 340 | D | 68.9 | Low | 81.9 | Confident | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | trans | -73.6 | 155.3 | 176.2 | -56.7 | -66.6 | 0 | 0 | 0 | 112.7 | K315 Q318 | K315-D340 PolarHBondContact NZ-O 2.96Å; Q318-D340 PolarHBondContact NE2-OD1 3.16Å | ||
| 341 | V | 62.6 | Low | 82 | Confident | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | trans | -140.2 | 117.6 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 106.8 | K315 T317 D345 R346 | K315-V341 HydrophobicContact CD-CG2 3.52Å; K315-V341 HydrophobicContact CG-CG2 3.96Å; T317-V341 VanDerWaalsContact C-CG2 3.43Å; T317-V341 WeakPolarHBondContact O-CG2 3.32Å; V341-D345 HydrophobicContact CG1-CB 4.1Å; V341-R346 HydrophobicContact CG1-CG 3.98Å | ||
| 342 | E | 59.9 | Low | 82.2 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | trans | -82.8 | 158.6 | 160 | -65.5 | -174.2 | -176.8 | 0 | 0 | 109.2 | G344 D345 | E342-G344 PolarHBondContact O-N 3.38Å; E342-G344 VanDerWaalsContact O-N 3.11Å; E342-D345 PolarHBondContact N-OD2 2.85Å; E342-D345 WeakPolarHBondContact O-CB 3.32Å; E342-D345 PolarHBondContact O-N 2.82Å | ||
| 343 | V | 58.9 | Low | 82.3 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.2 | -31.5 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | C109 D345 R346 | C109-V343 HydrophobicContact CB-CG2 4.47Å; V343-D345 VanDerWaalsContact C-N 3.3Å; V343-D345 PolarHBondContact O-N 3.02Å; V343-R346 WeakPolarHBondContact O-CB 3.37Å; V343-R346 PolarHBondContact O-N 2.94Å |
| 344 | G | 59.6 | Low | 82.3 | Confident | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -68.1 | -18.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.7 | E342 R346 | E342-G344 PolarHBondContact O-N 3.38Å; E342-G344 VanDerWaalsContact O-N 3.11Å; G344-R346 PolarHBondContact O-N 2.88Å |
| 345 | D | 66.5 | Low | 82.3 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -73.8 | -13.1 | 176.2 | -75.7 | -47.9 | 0 | 0 | 0 | 113.5 | V341 E342 V343 V347 K349 | V341-D345 HydrophobicContact CG1-CB 4.1Å; E342-D345 PolarHBondContact N-OD2 2.85Å; E342-D345 WeakPolarHBondContact O-CB 3.32Å; E342-D345 PolarHBondContact O-N 2.82Å; V343-D345 VanDerWaalsContact C-N 3.3Å; V343-D345 PolarHBondContact O-N 3.02Å; D345-V347 PolarHBondContact O-N 2.76Å; D345-K349 IonicContact OD1-NZ 3.81Å; D345-K349 PolarHBondContact OD1-NZ 3.21Å |
| 346 | R | 73.2 | Confident | 82.2 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | trans | -78.4 | 52.4 | -175.5 | -59.7 | -170.6 | -175.2 | -152.4 | 2.2 | 112.4 | F169 Y314 A316 V341 V343 G344 | F169-R346 VanDerWaalsContact CZ-NH1 3.32Å; Y314-R346 VanDerWaalsContact CE2-C 3.43Å; Y314-R346 WeakPolarHBondContact CE2-O 3.44Å; Y314-R346 VanDerWaalsContact CZ-C 3.45Å; Y314-R346 WeakPolarHBondContact OH-CB 3.4Å; Y314-R346 PolarHBondContact OH-O 3.45Å; A316-R346 PolarHBondContact O-NE 2.81Å; A316-R346 PolarHBondContact O-NH1 2.63Å; A316-R346 PolarHBondContact O-NH2 3.38Å; V341-R346 HydrophobicContact CG1-CG 3.98Å; V343-R346 WeakPolarHBondContact O-CB 3.37Å; V343-R346 PolarHBondContact O-N 2.94Å; G344-R346 PolarHBondContact O-N 2.88Å | ||
| 347 | V | 81.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -128.9 | 161.8 | 176.2 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | D345 K349 | D345-V347 PolarHBondContact O-N 2.76Å; V347-K349 HydrophobicContact CG2-CD 4.48Å; V347-K349 HydrophobicContact CG2-CG 3.95Å; V347-K349 PolarHBondContact O-N 2.79Å |
| 348 | W | 88.7 | Confident | 82.1 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.3 | 168.6 | -74.8 | 106.9 | 0 | 0 | 0 | 109.4 | L275 N277 A279 Y284 N312 Y313 Y314 D379 | L275-W348 HydrophobicContact CD1-CH2 4.37Å; L275-W348 HydrophobicContact CD1-CZ2 3.56Å; N277-W348 WeakPolarHBondContact O-CZ2 3.27Å; N277-W348 PolarHBondContact O-NE1 2.64Å; A279-W348 HydrophobicContact CB-CB 4.31Å; A279-W348 HydrophobicContact CB-CD2 3.6Å; A279-W348 HydrophobicContact CB-CE3 3.75Å; A279-W348 HydrophobicContact CB-CG 3.87Å; A279-W348 HydrophobicContact CB-CZ2 4.42Å; A279-W348 HydrophobicContact CB-CZ3 4.23Å; Y284-W348 HydrophobicContact CD1-CZ2 4.46Å; Y284-W348 HydrophobicContact CD2-CH2 4.06Å; Y284-W348 HydrophobicContact CD2-CZ2 4.13Å; Y284-W348 HydrophobicContact CG-CH2 4.09Å; Y284-W348 HydrophobicContact CG-CZ2 4.03Å; N312-W348 HydrophobicContact CB-CE3 4.12Å; N312-W348 HydrophobicContact CB-CZ3 4.42Å; Y313-W348 WeakPolarHBondContact O-CA 3.12Å; Y314-W348 HydrophobicContact CD2-CD2 4.12Å; Y314-W348 HydrophobicContact CD2-CG 4.04Å; Y314-W348 HydrophobicContact CG-CD2 4.48Å; W348-D379 HydrophobicContact CH2-CB 3.84Å; W348-D379 HydrophobicContact CZ3-CB 3.78Å |
| 349 | K | 92.2 | Very high | 82.5 | Confident | 67 Ų | 67 | 50 Ų | 50 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.7 | -179.8 | -61.2 | -172.6 | -175.3 | -166.2 | 0 | 109.5 | Y313 D345 V347 | Y313-K349 HydrophobicContact CD1-CB 4.26Å; Y313-K349 WeakPolarHBondContact CD1-O 3.4Å; Y313-K349 HydrophobicContact CE1-CB 3.63Å; Y313-K349 HydrophobicContact CE2-CB 4.14Å; Y313-K349 PolarHBondContact N-O 2.78Å; Y313-K349 PolarHBondContact O-N 3.15Å; D345-K349 IonicContact OD1-NZ 3.81Å; D345-K349 PolarHBondContact OD1-NZ 3.21Å; V347-K349 HydrophobicContact CG2-CD 4.48Å; V347-K349 HydrophobicContact CG2-CG 3.95Å; V347-K349 PolarHBondContact O-N 2.79Å |
| 350 | V | 93.8 | Very high | 83.3 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 47% | 0.473 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.4 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110 | ||
| 351 | G | 94.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 157.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R310 F311 | R310-G351 WeakPolarHBondContact CA-O 3.39Å; F311-G351 PolarHBondContact N-O 3.3Å; F311-G351 VanDerWaalsContact N-O 3.11Å; F311-G351 PolarHBondContact O-N 3.36Å |
| 352 | N | 95.8 | Very high | 86.1 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.4 | 171.4 | 60.5 | 75.8 | 0 | 0 | 0 | 110.1 | V308 I309 R310 F335 P390 | V308-N352 HydrophobicContact CG1-CB 4.06Å; I309-N352 CarbonylContact O-C 3.57Å; I309-N352 VanDerWaalsContact O-CA 3.3Å; I309-N352 WeakPolarHBondContact O-CA 3.13Å; R310-N352 HydrophobicContact CG-CB 4.15Å; F335-N352 WeakPolarHBondContact CB-O 3.35Å; F335-N352 WeakPolarHBondContact CD2-O 3.3Å; N352-P390 WeakPolarHBondContact OD1-CB 3.26Å |
| 353 | M | 94.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.2 | 172.1 | 61.8 | -175.5 | 165.5 | 0 | 0 | 110.6 | V308 I309 F311 T334 F335 V362 F364 | V308-M353 CarbonylContact C-O 3.47Å; V308-M353 WeakPolarHBondContact CA-O 3.27Å; I309-M353 HydrophobicContact CB-CE 3.92Å; I309-M353 HydrophobicContact CB-CG 3.98Å; I309-M353 HydrophobicContact CD1-CE 4.14Å; I309-M353 HydrophobicContact CG2-CE 3.75Å; I309-M353 PolarHBondContact N-O 3.45Å; I309-M353 PolarHBondContact O-N 3.22Å; F311-M353 HydrophobicContact CE1-CE 4.34Å; F311-M353 HydrophobicContact CE1-CG 4.18Å; F311-M353 HydrophobicContact CE1-SD 4.44Å; T334-M353 WeakPolarHBondContact OG1-CA 3.49Å; T334-M353 WeakPolarHBondContact OG1-CB 3.5Å; F335-M353 HydrophobicContact CB-CB 3.98Å; M353-V362 HydrophobicContact CE-CG1 3.44Å; M353-V362 VanDerWaalsContact CE-CG1 3.44Å; M353-F364 HydrophobicContact CE-CD1 4.41Å; M353-F364 HydrophobicContact CE-CE1 3.54Å; M353-F364 HydrophobicContact CE-CE2 4.1Å; M353-F364 HydrophobicContact CE-CZ 3.36Å; M353-F364 HydrophobicContact SD-CE1 4.45Å |
| 354 | V | 95.5 | Very high | 89.6 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.1 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | E306 T334 P390 | E306-V354 HydrophobicContact CG-CG1 3.59Å; T334-V354 HydrophobicContact CG2-CB 4.43Å; T334-V354 PolarHBondContact OG1-N 2.93Å; V354-P390 HydrophobicContact CG2-CB 3.88Å; V354-P390 HydrophobicContact CG2-CG 3.27Å |
| 355 | C | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.4 | 174.4 | -59 | 0 | 0 | 0 | 0 | 110.4 | L303 E306 R307 I309 C326 | L303-C355 HydrophobicContact CD1-CB 3.48Å; L303-C355 VanDerWaalsContact CD1-CB 3.48Å; E306-C355 WeakPolarHBondContact CA-O 3.23Å; E306-C355 WeakPolarHBondContact CG-O 3.32Å; R307-C355 PolarHBondContact N-O 3Å; R307-C355 PolarHBondContact O-N 2.95Å; I309-C355 WeakPolarHBondContact CD1-SG 2.99Å; C326-C355 HydrophobicContact CB-CB 3.45Å; C326-C355 VanDerWaalsContact CB-CB 3.45Å; C326-C355 WeakPolarHBondContact CB-SG 3.15Å; C326-C355 WeakPolarHBondContact SG-CA 3.32Å; C326-C355 WeakPolarHBondContact SG-CB 3.32Å; C326-C355 CovalentContact SG-SG 2.04Å; C326-C355 PolarHBondContact SG-SG 2.82Å |
| 356 | P | 94.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 32.8 Ų | 32.8 | 29% | 0.292 | 19% | 0.189 | S | C | . | . | trans | -70.3 | 162.8 | 179.8 | 31.3 | -37 | 0 | 0 | 0 | 112.1 | N360 | P356-N360 WeakPolarHBondContact CD-OD1 3.4Å; P356-N360 PolarHBondContact O-ND2 3.37Å | ||
| 357 | A | 93.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 50% | 0.504 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -60.9 | 151 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 358 | G | 92.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.5 | -159.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L303 N360 | L303-G358 PolarHBondContact N-O 2.82Å; L303-G358 PolarHBondContact O-N 3.48Å; G358-N360 PolarHBondContact O-N 3.17Å; G358-N360 PolarHBondContact O-ND2 3.39Å |
| 359 | P | 92.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 29.4 Ų | 29.4 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.9 | -178.4 | 28.1 | -33.7 | 0 | 0 | 0 | 111.2 | P328 | P328-P359 WeakPolarHBondContact CA-O 3.18Å; P328-P359 HydrophobicContact CG-CG 4.42Å; P328-P359 WeakPolarHBondContact CG-O 3.08Å |
| 360 | N | 94.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.4 | -177 | -80.6 | -92.2 | 0 | 0 | 0 | 110.5 | D300 S301 C326 G327 P356 G358 V362 | D300-N360 WeakPolarHBondContact CA-O 3.35Å; S301-N360 PolarHBondContact N-O 2.61Å; S301-N360 PolarHBondContact O-N 2.96Å; S301-N360 VanDerWaalsContact O-O 3.13Å; C326-N360 WeakPolarHBondContact CB-OD1 3.46Å; G327-N360 WeakPolarHBondContact CA-OD1 3.33Å; G327-N360 PolarHBondContact N-OD1 3.45Å; P356-N360 WeakPolarHBondContact CD-OD1 3.4Å; P356-N360 PolarHBondContact O-ND2 3.37Å; G358-N360 PolarHBondContact O-N 3.17Å; G358-N360 PolarHBondContact O-ND2 3.39Å; N360-V362 HydrophobicContact CB-CG2 4.25Å |
| 361 | K | 94.8 | Very high | 89.9 | Confident | 63 Ų | 63 | 27.5 Ų | 27.5 | 27% | 0.274 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 103.4 | 157 | -176.9 | 169 | -178 | 168.9 | 0 | 108.1 | D300 G327 A330 T363 | D300-K361 WeakPolarHBondContact OD1-CB 3.41Å; D300-K361 WeakPolarHBondContact OD1-CG 3.05Å; G327-K361 PolarHBondContact O-N 2.84Å; A330-K361 HydrophobicContact CB-CB 4.47Å; A330-K361 HydrophobicContact CB-CG 4.4Å; A330-K361 WeakPolarHBondContact CB-O 3.2Å; K361-T363 HydrophobicContact CG-CG2 4.05Å |
| 362 | V | 96 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.5 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | L227 S298 A299 I309 C325 M353 N360 | L227-V362 HydrophobicContact CD2-CB 3.89Å; L227-V362 HydrophobicContact CD2-CG1 4.4Å; L227-V362 HydrophobicContact CD2-CG2 3.59Å; S298-V362 CarbonylContact C-O 3.6Å; S298-V362 WeakPolarHBondContact CA-O 3.48Å; S298-V362 WeakPolarHBondContact CB-O 3.18Å; A299-V362 PolarHBondContact N-O 3.43Å; A299-V362 PolarHBondContact O-N 3.32Å; I309-V362 HydrophobicContact CD1-CG1 3.95Å; I309-V362 HydrophobicContact CD1-CG2 3.88Å; C325-V362 CarbonylContact O-C 3.59Å; C325-V362 WeakPolarHBondContact O-CA 3.09Å; M353-V362 HydrophobicContact CE-CG1 3.44Å; M353-V362 VanDerWaalsContact CE-CG1 3.44Å; N360-V362 HydrophobicContact CB-CG2 4.25Å |
| 363 | T | 96.1 | Very high | 87.2 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.5 | -178.5 | 68 | 0 | 0 | 0 | 0 | 113 | V296 L297 G324 C325 A330 K361 | V296-T363 HydrophobicContact CG1-CG2 4.38Å; L297-T363 CarbonylContact O-C 3.26Å; L297-T363 VanDerWaalsContact O-CA 3.29Å; L297-T363 WeakPolarHBondContact O-CA 3.5Å; G324-T363 WeakPolarHBondContact CA-O 3.14Å; C325-T363 PolarHBondContact N-O 3.37Å; C325-T363 PolarHBondContact O-N 2.89Å; A330-T363 HydrophobicContact CB-CG2 3.46Å; A330-T363 VanDerWaalsContact CB-CG2 3.46Å; K361-T363 HydrophobicContact CG-CG2 4.05Å |
| 364 | F | 96.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.7 | 164.2 | -62.5 | -78.7 | 0 | 0 | 0 | 108.6 | Y238 W261 L297 F311 L322 M353 L378 V381 | Y238-F364 AromaticContact CE1-CD2 3.98Å; Y238-F364 HydrophobicContact CE1-CD2 3.98Å; Y238-F364 AromaticContact CE1-CE2 3.82Å; Y238-F364 HydrophobicContact CE1-CE2 3.82Å; Y238-F364 AromaticContact CZ-CE2 3.98Å; W261-F364 HydrophobicContact CZ2-CB 4.28Å; L297-F364 HydrophobicContact CB-CB 4.4Å; L297-F364 PolarHBondContact N-O 3.35Å; L297-F364 PolarHBondContact O-N 3.21Å; F311-F364 HydrophobicContact CB-CE1 4.49Å; F311-F364 HydrophobicContact CB-CZ 4.47Å; F311-F364 AromaticContact CD1-CE1 3.61Å; F311-F364 HydrophobicContact CD1-CE1 3.61Å; F311-F364 AromaticContact CD1-CZ 3.96Å; F311-F364 HydrophobicContact CD1-CZ 3.96Å; F311-F364 AromaticContact CD2-CE1 3.98Å; F311-F364 HydrophobicContact CD2-CE1 3.98Å; F311-F364 AromaticContact CE1-CE1 3.73Å; F311-F364 HydrophobicContact CE1-CE1 3.73Å; F311-F364 HydrophobicContact CE1-CZ 4.42Å; F311-F364 HydrophobicContact CE2-CE1 4.07Å; F311-F364 AromaticContact CG-CE1 3.76Å; F311-F364 HydrophobicContact CG-CE1 3.76Å; F311-F364 HydrophobicContact CG-CZ 4.15Å; F311-F364 AromaticContact CZ-CE1 3.94Å; F311-F364 HydrophobicContact CZ-CE1 3.94Å; L322-F364 HydrophobicContact CD1-CB 4.21Å; M353-F364 HydrophobicContact CE-CD1 4.41Å; M353-F364 HydrophobicContact CE-CE1 3.54Å; M353-F364 HydrophobicContact CE-CE2 4.1Å; M353-F364 HydrophobicContact CE-CZ 3.36Å; M353-F364 HydrophobicContact SD-CE1 4.45Å; F364-L378 HydrophobicContact CB-CD2 3.88Å; F364-L378 HydrophobicContact CD1-CD1 3.79Å; F364-L378 HydrophobicContact CD1-CD2 3.97Å; F364-L378 HydrophobicContact CD2-CD2 3.56Å; F364-L378 HydrophobicContact CE1-CD1 3.83Å; F364-L378 HydrophobicContact CE1-CD2 4.37Å; F364-L378 HydrophobicContact CE2-CD2 3.99Å; F364-L378 HydrophobicContact CG-CD1 4.24Å; F364-L378 HydrophobicContact CG-CD2 3.53Å; F364-L378 HydrophobicContact CZ-CD1 4.3Å; F364-L378 HydrophobicContact CZ-CD2 4.38Å; F364-V381 HydrophobicContact CE2-CG1 4.21Å; F364-V381 HydrophobicContact CE2-CG2 3.97Å; F364-V381 HydrophobicContact CZ-CG1 4Å; F364-V381 HydrophobicContact CZ-CG2 3.97Å |
| 365 | T | 94.8 | Very high | 85.9 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.1 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 110 | A295 V296 I323 V367 | A295-T365 WeakPolarHBondContact O-CA 3.49Å; V296-T365 HydrophobicContact CG2-CG2 3.97Å; I323-T365 PolarHBondContact N-O 2.73Å; I323-T365 PolarHBondContact O-N 2.78Å; T365-V367 HydrophobicContact CG2-CG2 3.66Å |
| 366 | A | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.1 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | W261 T287 L289 K294 A295 Q321 V376 | W261-A366 HydrophobicContact CH2-CB 4.5Å; W261-A366 HydrophobicContact CZ2-CB 3.95Å; T287-A366 HydrophobicContact CG2-CB 3.53Å; L289-A366 HydrophobicContact CD1-CB 3.75Å; L289-A366 WeakPolarHBondContact CD1-O 3.06Å; K294-A366 CarbonylContact C-O 3.51Å; K294-A366 WeakPolarHBondContact CA-O 3.27Å; K294-A366 VanDerWaalsContact CB-O 3.22Å; K294-A366 WeakPolarHBondContact CB-O 3.27Å; A295-A366 PolarHBondContact N-O 2.86Å; A295-A366 PolarHBondContact O-N 3.14Å; Q321-A366 CarbonylContact O-C 3.08Å; Q321-A366 WeakPolarHBondContact O-CA 3.16Å; A366-V376 HydrophobicContact CB-CB 4.25Å; A366-V376 HydrophobicContact CB-CG2 4.05Å |
| 367 | V | 89.4 | Confident | 85.7 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.4 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | L247 K294 I320 Q321 I323 T365 | L247-V367 HydrophobicContact CD1-CG1 3.83Å; K294-V367 HydrophobicContact CB-CG2 4.21Å; I320-V367 CarbonylContact C-O 3.57Å; I320-V367 VanDerWaalsContact CA-O 3.29Å; I320-V367 WeakPolarHBondContact CA-O 3.33Å; I320-V367 WeakPolarHBondContact CG1-O 3.1Å; Q321-V367 PolarHBondContact N-O 3.48Å; Q321-V367 PolarHBondContact O-N 2.92Å; I323-V367 HydrophobicContact CD1-CG2 4.06Å; T365-V367 HydrophobicContact CG2-CG2 3.66Å |
| 368 | N | 81.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 108 | 170.9 | -172.6 | 2.1 | 0 | 0 | 0 | 110.9 | L289 N292 K293 I320 G370 N372 G374 | L289-N368 HydrophobicContact CB-CB 3.8Å; L289-N368 HydrophobicContact CD1-CB 4.41Å; L289-N368 PolarHBondContact O-ND2 2.88Å; N292-N368 WeakPolarHBondContact CA-O 3.02Å; N292-N368 PolarHBondContact N-O 2.91Å; K293-N368 PolarHBondContact O-N 2.88Å; I320-N368 HydrophobicContact CD1-CB 4.38Å; I320-N368 HydrophobicContact CG1-CB 4.16Å; N368-G370 PolarHBondContact OD1-N 2.89Å; N368-N372 PolarHBondContact ND2-O 2.8Å; N368-G374 PolarHBondContact ND2-N 3.06Å |
| 369 | S | 77.5 | Confident | 86 | Confident | 74 Ų | 74 | 24.4 Ų | 24.4 | 52% | 0.517 | 15% | 0.154 | S | C | . | . | trans | -104.8 | 2.6 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | G319 | G319-S369 PolarHBondContact O-N 2.83Š| ||
| 370 | G | 64.3 | Low | 86.1 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -77.9 | 170.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P291 G319 N368 N372 | P291-G370 WeakPolarHBondContact CB-O 2.96Å; G319-G370 PolarHBondContact O-N 3.39Å; N368-G370 PolarHBondContact OD1-N 2.89Å; G370-N372 VanDerWaalsContact C-N 3.35Å |
| 371 | A | 59.9 | Low | 86.2 | Confident | 92 Ų | 92 | 21 Ų | 21 | 76% | 0.76 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -76.2 | -23.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P291 | P291-A371 WeakPolarHBondContact CG-O 3.31Š|
| 372 | N | 63.4 | Low | 86.2 | Confident | 91 Ų | 91 | 21.5 Ų | 21.5 | 49% | 0.487 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -110.7 | 164.9 | -175.2 | -62.3 | -1.7 | 0 | 0 | 0 | 110.6 | N368 G370 | N368-N372 PolarHBondContact ND2-O 2.8Å; G370-N372 VanDerWaalsContact C-N 3.35Å |
| 373 | Q | 70.8 | Confident | 86.2 | Confident | 46 Ų | 46 | 21.5 Ų | 21.5 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | trans | -61.5 | 160.9 | 171.9 | -58.9 | 90.7 | -53.6 | 0 | 0 | 111.5 | D138 Y288 L289 T317 | D138-Q373 PolarHBondContact OD2-NE2 3.2Å; Y288-Q373 HydrophobicContact CE1-CB 3.81Å; Y288-Q373 HydrophobicContact CE1-CG 3.83Å; Y288-Q373 HydrophobicContact CE2-CB 3.86Å; Y288-Q373 WeakPolarHBondContact OH-CB 3.35Å; Y288-Q373 VanDerWaalsContact OH-CG 3.31Å; Y288-Q373 WeakPolarHBondContact OH-CG 2.93Å; L289-Q373 CarbonylContact O-C 3.54Å; L289-Q373 VanDerWaalsContact O-CA 3.32Å; L289-Q373 WeakPolarHBondContact O-CA 3.19Å; T317-Q373 PolarHBondContact OG1-O 3.29Å | ||
| 374 | G | 77.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 158.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y288 L289 T317 I320 N368 | Y288-G374 CarbonylContact C-O 3.59Å; Y288-G374 WeakPolarHBondContact CA-O 3.36Å; L289-G374 PolarHBondContact N-O 3.41Å; L289-G374 PolarHBondContact O-N 2.78Å; T317-G374 WeakPolarHBondContact OG1-CA 3.23Å; I320-G374 WeakPolarHBondContact CD1-O 3.22Å; N368-G374 PolarHBondContact ND2-N 3.06Å |
| 375 | A | 86.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T273 T287 Y288 A316 | T273-A375 HydrophobicContact CG2-CB 3.38Å; T287-A375 WeakPolarHBondContact O-CA 3.22Å; T287-A375 WeakPolarHBondContact O-CB 3.31Å; Y288-A375 HydrophobicContact CD2-CB 4.23Å; A316-A375 HydrophobicContact CB-CB 3.81Å; A316-A375 VanDerWaalsContact CB-O 3.22Å; A316-A375 WeakPolarHBondContact CB-O 3.08Å; A316-A375 PolarHBondContact N-O 3.09Å; A316-A375 VanDerWaalsContact N-O 3.07Å |
| 376 | V | 91.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.4 | 167.3 | 175 | 0 | 0 | 0 | 0 | 108 | W261 A286 T287 Y314 I320 L322 A366 | W261-V376 HydrophobicContact CH2-CB 4.26Å; W261-V376 HydrophobicContact CH2-CG1 3.76Å; W261-V376 HydrophobicContact CZ3-CG1 4.27Å; A286-V376 WeakPolarHBondContact CA-O 3.2Å; A286-V376 WeakPolarHBondContact CB-O 3.36Å; T287-V376 HydrophobicContact CG2-CB 4.47Å; T287-V376 PolarHBondContact N-O 3.43Å; T287-V376 PolarHBondContact O-N 3.03Å; Y314-V376 CarbonylContact O-C 3.42Å; Y314-V376 VanDerWaalsContact O-CA 3.3Å; Y314-V376 WeakPolarHBondContact O-CA 3.46Å; I320-V376 HydrophobicContact CD1-CG2 3.85Å; I320-V376 HydrophobicContact CG1-CG2 3.98Å; I320-V376 HydrophobicContact CG2-CG2 4.11Å; L322-V376 HydrophobicContact CB-CG1 3.99Å; L322-V376 HydrophobicContact CB-CG2 4.41Å; L322-V376 HydrophobicContact CD1-CG1 4.15Å; L322-V376 HydrophobicContact CD2-CG1 3.92Å; L322-V376 HydrophobicContact CG-CG1 4.23Å; A366-V376 HydrophobicContact CB-CB 4.25Å; A366-V376 HydrophobicContact CB-CG2 4.05Å |
| 377 | G | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 149.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A285 Y313 Y314 | A285-G377 CarbonylContact O-C 3.54Å; A285-G377 WeakPolarHBondContact O-CA 3.48Å; Y313-G377 CarbonylContact C-O 3.54Å; Y313-G377 VanDerWaalsContact CA-O 3.31Å; Y313-G377 WeakPolarHBondContact CA-O 3.47Å; Y314-G377 PolarHBondContact N-O 2.92Å; Y314-G377 PolarHBondContact O-N 2.72Å |
| 378 | L | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 135.4 | 177.3 | -179.1 | 75.5 | 0 | 0 | 0 | 108.6 | F231 W261 A285 L297 F311 N312 L322 F364 V381 | F231-L378 HydrophobicContact CE2-CD2 4.07Å; F231-L378 HydrophobicContact CE2-CG 4.02Å; F231-L378 HydrophobicContact CZ-CD2 3.86Å; F231-L378 HydrophobicContact CZ-CG 4.33Å; W261-L378 HydrophobicContact CH2-CB 4.02Å; W261-L378 HydrophobicContact CZ3-CB 3.62Å; W261-L378 HydrophobicContact CZ3-CD2 4.49Å; A285-L378 HydrophobicContact CB-CB 4.34Å; A285-L378 PolarHBondContact N-O 2.66Å; A285-L378 PolarHBondContact O-N 2.55Å; A285-L378 VanDerWaalsContact O-O 3.14Å; L297-L378 HydrophobicContact CD2-CD2 4.04Å; F311-L378 HydrophobicContact CB-CD1 4.07Å; F311-L378 HydrophobicContact CD2-CD1 3.54Å; F311-L378 HydrophobicContact CE2-CD1 4.3Å; F311-L378 HydrophobicContact CG-CD1 4.02Å; N312-L378 CarbonylContact O-C 3.57Å; N312-L378 WeakPolarHBondContact O-CA 3.23Å; L322-L378 HydrophobicContact CD2-CD1 4.39Å; F364-L378 HydrophobicContact CB-CD2 3.88Å; F364-L378 HydrophobicContact CD1-CD1 3.79Å; F364-L378 HydrophobicContact CD1-CD2 3.97Å; F364-L378 HydrophobicContact CD2-CD2 3.56Å; F364-L378 HydrophobicContact CE1-CD1 3.83Å; F364-L378 HydrophobicContact CE1-CD2 4.37Å; F364-L378 HydrophobicContact CE2-CD2 3.99Å; F364-L378 HydrophobicContact CG-CD1 4.24Å; F364-L378 HydrophobicContact CG-CD2 3.53Å; F364-L378 HydrophobicContact CZ-CD1 4.3Å; F364-L378 HydrophobicContact CZ-CD2 4.38Å; L378-V381 HydrophobicContact CD2-CG2 4.46Å; L378-V381 HydrophobicContact CG-CG2 4.49Å |
| 379 | D | 96.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 165.1 | -173.9 | -163.1 | 0.3 | 0 | 0 | 0 | 110.8 | A279 S280 N312 W348 V381 | A279-D379 WeakPolarHBondContact CA-OD2 3.41Å; A279-D379 HydrophobicContact CB-CB 3.95Å; A279-D379 VanDerWaalsContact CB-OD2 3.26Å; A279-D379 WeakPolarHBondContact CB-OD2 3.3Å; A279-D379 PolarHBondContact N-OD2 2.7Å; S280-D379 PolarHBondContact N-OD2 3.44Å; S280-D379 VanDerWaalsContact N-OD2 3.13Å; N312-D379 HydrophobicContact CB-CB 3.98Å; N312-D379 PolarHBondContact N-O 3.12Å; N312-D379 PolarHBondContact O-N 3.39Å; W348-D379 HydrophobicContact CH2-CB 3.84Å; W348-D379 HydrophobicContact CZ3-CB 3.78Å; D379-V381 PolarHBondContact O-N 3.21Å |
| 380 | D | 95 | Very high | 84.9 | Confident | 14 Ų | 14 | 35 Ų | 35 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48 | 50.4 | 170.3 | -80.7 | -69.2 | 0 | 0 | 0 | 116.3 | S280 F311 N312 K382 | S280-D380 VanDerWaalsContact CB-OD2 3.28Å; S280-D380 WeakPolarHBondContact CB-OD2 3.39Å; S280-D380 VanDerWaalsContact OG-CG 3.26Å; S280-D380 PolarHBondContact OG-OD1 3.24Å; S280-D380 PolarHBondContact OG-OD2 3.28Å; F311-D380 WeakPolarHBondContact CA-O 3.32Å; N312-D380 HydrophobicContact CB-CB 4.31Å; N312-D380 WeakPolarHBondContact ND2-CB 3.45Å; N312-D380 PolarHBondContact ND2-OD2 2.89Å; D380-K382 PolarHBondContact O-N 3.46Å; D380-K382 WeakPolarHBondContact OD1-CE 3.27Å; D380-K382 IonicContact OD1-NZ 3.12Å; D380-K382 PolarHBondContact OD1-NZ 3.06Å |
| 381 | V | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.2 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | L227 V228 C229 F231 I309 R310 F311 F364 L378 D379 | L227-V381 VanDerWaalsContact O-CG1 3.29Å; L227-V381 WeakPolarHBondContact O-CG1 3.39Å; V228-V381 VanDerWaalsContact CA-O 3.3Å; V228-V381 WeakPolarHBondContact CA-O 3.05Å; C229-V381 PolarHBondContact N-O 2.96Å; C229-V381 PolarHBondContact O-N 3.18Å; F231-V381 HydrophobicContact CE2-CG2 3.82Å; F231-V381 HydrophobicContact CZ-CG2 3.96Å; I309-V381 HydrophobicContact CG2-CG1 3.49Å; I309-V381 VanDerWaalsContact CG2-CG1 3.49Å; R310-V381 WeakPolarHBondContact O-CA 3.27Å; F311-V381 HydrophobicContact CB-CG2 4.08Å; F364-V381 HydrophobicContact CE2-CG1 4.21Å; F364-V381 HydrophobicContact CE2-CG2 3.97Å; F364-V381 HydrophobicContact CZ-CG1 4Å; F364-V381 HydrophobicContact CZ-CG2 3.97Å; L378-V381 HydrophobicContact CD2-CG2 4.46Å; L378-V381 HydrophobicContact CG-CG2 4.49Å; D379-V381 PolarHBondContact O-N 3.21Å |
| 382 | K | 95.4 | Very high | 86.9 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.5 | -172.4 | -71.8 | 170.6 | -169.2 | 160.6 | 0 | 112.1 | I309 R310 D380 Y384 L396 C398 | I309-K382 WeakPolarHBondContact CA-O 3.36Å; R310-K382 PolarHBondContact N-O 3.16Å; R310-K382 PolarHBondContact O-N 2.91Å; D380-K382 PolarHBondContact O-N 3.46Å; D380-K382 WeakPolarHBondContact OD1-CE 3.27Å; D380-K382 IonicContact OD1-NZ 3.12Å; D380-K382 PolarHBondContact OD1-NZ 3.06Å; K382-Y384 HydrophobicContact CB-CD2 4.49Å; K382-Y384 HydrophobicContact CB-CE2 3.71Å; K382-L396 HydrophobicContact CB-CD1 4.15Å; K382-C398 CarbonylContact C-O 3.55Å; K382-C398 WeakPolarHBondContact CA-O 3.2Å; K382-C398 WeakPolarHBondContact CB-O 3.33Å; K382-C398 WeakPolarHBondContact CG-O 3.16Å |
| 383 | V | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.8 | -172 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | L227 V228 R307 V397 C398 | L227-V383 HydrophobicContact CB-CG2 3.87Å; L227-V383 HydrophobicContact CD1-CG2 4.34Å; V228-V383 HydrophobicContact CG2-CG2 4.19Å; R307-V383 HydrophobicContact CB-CG1 4.02Å; R307-V383 HydrophobicContact CG-CG1 3.9Å; V383-V397 HydrophobicContact CG1-CB 4.36Å; V383-V397 WeakPolarHBondContact O-CA 3.19Å; V383-V397 WeakPolarHBondContact O-CB 3.27Å; V383-V397 PolarHBondContact O-N 3.26Å; V383-C398 WeakPolarHBondContact CA-OXT 3.46Å; V383-C398 VanDerWaalsContact CB-OXT 3.31Å; V383-C398 WeakPolarHBondContact CB-OXT 3.25Å; V383-C398 PolarHBondContact N-O 2.76Å; V383-C398 PolarHBondContact N-OXT 3.37Å; V383-C398 PolarHBondContact O-N 3.1Å; V383-C398 VanDerWaalsContact O-N 3.11Å |
| 384 | Y | 94.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 155 | -177.2 | -66 | -103.9 | 0 | 0 | 0 | 111 | R307 V308 R310 K382 A393 E395 L396 | R307-Y384 WeakPolarHBondContact CD-O 3.26Å; V308-Y384 PolarHBondContact N-O 3.18Å; V308-Y384 PolarHBondContact O-N 3.27Å; R310-Y384 HydrophobicContact CB-CD2 3.93Å; R310-Y384 HydrophobicContact CB-CE2 3.7Å; R310-Y384 HydrophobicContact CG-CD2 3.7Å; R310-Y384 HydrophobicContact CG-CE2 3.86Å; R310-Y384 HydrophobicContact CG-CG 4.41Å; K382-Y384 HydrophobicContact CB-CD2 4.49Å; K382-Y384 HydrophobicContact CB-CE2 3.71Å; Y384-A393 WeakPolarHBondContact CD1-O 3.26Å; Y384-E395 WeakPolarHBondContact CA-O 3.33Å; Y384-L396 HydrophobicContact CD1-CB 4.24Å; Y384-L396 HydrophobicContact CD1-CD1 4.32Å; Y384-L396 HydrophobicContact CD2-CD1 4.26Å; Y384-L396 HydrophobicContact CE1-CB 3.97Å; Y384-L396 HydrophobicContact CE1-CD1 3.84Å; Y384-L396 HydrophobicContact CE2-CD1 3.75Å |
| 385 | K | 92.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 39 Ų | 39 | 32% | 0.317 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 143 | 171.2 | -61.3 | -165.9 | -169.6 | 165.4 | 0 | 110.7 | T387 E395 V397 | K385-T387 PolarHBondContact O-N 3.12Å; K385-E395 HydrophobicContact CB-CB 4.46Å; K385-E395 HydrophobicContact CD-CG 4.2Å; K385-E395 VanDerWaalsContact CE-OE1 3.31Å; K385-E395 WeakPolarHBondContact CE-OE1 3.28Å; K385-E395 HydrophobicContact CG-CG 4.43Å; K385-E395 PolarHBondContact N-O 3.02Å; K385-E395 IonicContact NZ-OE1 3.74Å; K385-E395 PolarHBondContact NZ-OE1 3.32Å; K385-E395 IonicContact NZ-OE2 2.65Å; K385-V397 HydrophobicContact CG-CG2 3.51Å |
| 386 | S | 88.5 | Confident | 89.4 | Confident | 38 Ų | 38 | 42 Ų | 42 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | trans | -72.6 | 117.6 | 171.4 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | E306 | E306-S386 VanDerWaalsContact OE1-CB 3.27Å; E306-S386 WeakPolarHBondContact OE1-CB 3.26Å; E306-S386 PolarHBondContact OE1-OG 2.96Å | ||
| 387 | T | 80.6 | Confident | 89.2 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -109.5 | 15.6 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | K385 S392 | K385-T387 PolarHBondContact O-N 3.12Å; T387-S392 PolarHBondContact OG1-OG 2.93Å | ||
| 388 | G | 79.3 | Confident | 89 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 65% | 0.649 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 101.4 | -71 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P390 | G388-P390 WeakPolarHBondContact O-CD 3.49Š|
| 389 | D | 85 | Confident | 88.7 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -86.1 | 116.6 | 172.4 | 177.9 | 0.2 | 0 | 0 | 0 | 110.1 | A391 S392 | D389-A391 PolarHBondContact O-N 3.48Å; D389-A391 WeakPolarHBondContact OD1-CB 3.39Å; D389-A391 PolarHBondContact OD1-N 2.99Å; D389-S392 WeakPolarHBondContact O-CB 3.33Å; D389-S392 PolarHBondContact O-N 2.92Å; D389-S392 PolarHBondContact O-OG 3.01Å |
| 390 | P | 81.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -61.1 | -27.4 | -179.1 | -24.1 | 36.8 | 0 | 0 | 0 | 114.3 | V308 N352 V354 G388 S392 A393 | V308-P390 HydrophobicContact CG1-CB 4.05Å; V308-P390 HydrophobicContact CG2-CB 4.12Å; N352-P390 WeakPolarHBondContact OD1-CB 3.26Å; V354-P390 HydrophobicContact CG2-CB 3.88Å; V354-P390 HydrophobicContact CG2-CG 3.27Å; G388-P390 WeakPolarHBondContact O-CD 3.49Å; P390-S392 VanDerWaalsContact C-N 3.29Å; P390-A393 WeakPolarHBondContact O-CB 3.46Å; P390-A393 PolarHBondContact O-N 2.62Å |
| 391 | A | 82 | Confident | 87.9 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -70.7 | -27.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D389 A393 | D389-A391 PolarHBondContact O-N 3.48Å; D389-A391 WeakPolarHBondContact OD1-CB 3.39Å; D389-A391 PolarHBondContact OD1-N 2.99Å; A391-A393 VanDerWaalsContact C-N 3.35Å |
| 392 | S | 85 | Confident | 87.4 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -83.1 | -6.7 | 178.8 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | T387 D389 P390 T394 | T387-S392 PolarHBondContact OG1-OG 2.93Å; D389-S392 WeakPolarHBondContact O-CB 3.33Å; D389-S392 PolarHBondContact O-N 2.92Å; D389-S392 PolarHBondContact O-OG 3.01Å; P390-S392 VanDerWaalsContact C-N 3.29Å; S392-T394 PolarHBondContact O-N 3.08Å; S392-T394 PolarHBondContact O-OG1 2.97Å |
| 393 | A | 84.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -66 | 103.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V308 R310 Y384 P390 A391 | V308-A393 HydrophobicContact CB-CB 3.95Å; V308-A393 HydrophobicContact CG1-CB 4.03Å; V308-A393 HydrophobicContact CG2-CB 4Å; R310-A393 PolarHBondContact NH1-O 3.3Å; Y384-A393 WeakPolarHBondContact CD1-O 3.26Å; P390-A393 WeakPolarHBondContact O-CB 3.46Å; P390-A393 PolarHBondContact O-N 2.62Å; A391-A393 VanDerWaalsContact C-N 3.35Å | ||
| 394 | T | 86.7 | Confident | 86.3 | Confident | 114 Ų | 114 | 57.5 Ų | 57.5 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | trans | -115.2 | -19.8 | -175.1 | 41 | 0 | 0 | 0 | 0 | 113.1 | S392 L396 | S392-T394 PolarHBondContact O-N 3.08Å; S392-T394 PolarHBondContact O-OG1 2.97Å; T394-L396 PolarHBondContact O-N 3.16Å; T394-L396 VanDerWaalsContact O-N 3.07Å | ||
| 395 | E | 88.9 | Confident | 85.7 | Confident | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | trans | -79 | 93.3 | 176.4 | -165.9 | 177.5 | 175.1 | 0 | 0 | 110.4 | Y384 K385 V397 | Y384-E395 WeakPolarHBondContact CA-O 3.33Å; K385-E395 HydrophobicContact CB-CB 4.46Å; K385-E395 HydrophobicContact CD-CG 4.2Å; K385-E395 VanDerWaalsContact CE-OE1 3.31Å; K385-E395 WeakPolarHBondContact CE-OE1 3.28Å; K385-E395 HydrophobicContact CG-CG 4.43Å; K385-E395 PolarHBondContact N-O 3.02Å; K385-E395 IonicContact NZ-OE1 3.74Å; K385-E395 PolarHBondContact NZ-OE1 3.32Å; K385-E395 IonicContact NZ-OE2 2.65Å; E395-V397 PolarHBondContact O-N 2.96Å | ||
| 396 | L | 88.9 | Confident | 85.2 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 127.5 | 174.3 | -173.9 | 72 | 0 | 0 | 0 | 110.1 | T216 K382 Y384 T394 | T216-L396 HydrophobicContact CG2-CD2 4.35Å; K382-L396 HydrophobicContact CB-CD1 4.15Å; Y384-L396 HydrophobicContact CD1-CB 4.24Å; Y384-L396 HydrophobicContact CD1-CD1 4.32Å; Y384-L396 HydrophobicContact CD2-CD1 4.26Å; Y384-L396 HydrophobicContact CE1-CB 3.97Å; Y384-L396 HydrophobicContact CE1-CD1 3.84Å; Y384-L396 HydrophobicContact CE2-CD1 3.75Å; T394-L396 PolarHBondContact O-N 3.16Å; T394-L396 VanDerWaalsContact O-N 3.07Å |
| 397 | V | 88.6 | Confident | 84.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | trans | -87.2 | -50.5 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | V383 K385 E395 | V383-V397 HydrophobicContact CG1-CB 4.36Å; V383-V397 WeakPolarHBondContact O-CA 3.19Å; V383-V397 WeakPolarHBondContact O-CB 3.27Å; V383-V397 PolarHBondContact O-N 3.26Å; K385-V397 HydrophobicContact CG-CG2 3.51Å; E395-V397 PolarHBondContact O-N 2.96Å | ||
| 398 | C | 88.4 | Confident | 85.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | trans | -160.2 | 0 | -179.5 | 48.4 | 0 | 0 | 0 | 0 | 116.9 | P219 C224 V228 K382 V383 | P219-C398 HydrophobicContact CB-CB 3.75Å; P219-C398 HydrophobicContact CG-CB 4.35Å; C224-C398 WeakPolarHBondContact CA-SG 3.47Å; C224-C398 HydrophobicContact CB-CB 3.58Å; C224-C398 WeakPolarHBondContact CB-SG 3.43Å; C224-C398 WeakPolarHBondContact SG-CB 3.26Å; C224-C398 CovalentContact SG-SG 2.03Å; C224-C398 PolarHBondContact SG-SG 3.16Å; V228-C398 HydrophobicContact CG2-CB 3.84Å; V228-C398 WeakPolarHBondContact CG2-O 3.4Å; V228-C398 WeakPolarHBondContact CG2-OXT 3.47Å; K382-C398 CarbonylContact C-O 3.55Å; K382-C398 WeakPolarHBondContact CA-O 3.2Å; K382-C398 WeakPolarHBondContact CB-O 3.33Å; K382-C398 WeakPolarHBondContact CG-O 3.16Å; V383-C398 WeakPolarHBondContact CA-OXT 3.46Å; V383-C398 VanDerWaalsContact CB-OXT 3.31Å; V383-C398 WeakPolarHBondContact CB-OXT 3.25Å; V383-C398 PolarHBondContact N-O 2.76Å; V383-C398 PolarHBondContact N-OXT 3.37Å; V383-C398 PolarHBondContact O-N 3.1Å; V383-C398 VanDerWaalsContact O-N 3.11Å |
Retrieved 398 of 398 residues in 531 ms
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